USER MOD reduce.3.24.130724 H: found=0, std=0, add=1668, rem=0, adj=50 USER MOD reduce.3.24.130724 removed 1666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 36 ASN : amide:sc= -0.764 K(o=-1.2,f=-6.4!) USER MOD Set 1.2: B 67 GLN : amide:sc= -0.472 K(o=-1.2,f=-5.9!) USER MOD Set 2.1: B 55 SER OG : rot 40:sc= 1.06 USER MOD Set 2.2: B 85 LYS NZ :NH3+ 169:sc= 1.24 (180deg=0) USER MOD Set 3.1: A 55 SER OG : rot -91:sc= 2.11 USER MOD Set 3.2: A 85 LYS NZ :NH3+ -175:sc= 1.98 (180deg=0.407) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.337 (180deg=-0.0771) USER MOD Single : A 7 THR OG1 : rot 91:sc= 0.865 USER MOD Single : A 12 SER OG : rot -120:sc= -0.0404 USER MOD Single : A 15 THR OG1 : rot 92:sc= 1.23 USER MOD Single : A 18 THR OG1 : rot 86:sc= 0.832 USER MOD Single : A 19 THR OG1 : rot 75:sc= 1.23 USER MOD Single : A 22 THR OG1 : rot -88:sc= 1.21 USER MOD Single : A 26 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.16) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0.595 (180deg=0.57) USER MOD Single : A 32 SER OG : rot -151:sc= 0.504 USER MOD Single : A 34 SER OG : rot 84:sc= 1.29 USER MOD Single : A 36 ASN : amide:sc= 0.0155 X(o=0.015,f=-0.31) USER MOD Single : A 39 LYS NZ :NH3+ -149:sc= 1.26 (180deg=1.06) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 GLN :FLIP amide:sc= 0 F(o=-0.67,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.8) USER MOD Single : A 48 HIS : no HE2:sc= -0.11 K(o=-0.11,f=-4.3!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= -0.111 (180deg=-1.23) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 2.35 (180deg=2.08) USER MOD Single : A 62 SER OG : rot 78:sc= 1.25 USER MOD Single : A 66 ASN : amide:sc= -0.209 X(o=-0.21,f=-0.025) USER MOD Single : A 67 GLN : amide:sc= -1.19! C(o=-1.2!,f=-3.5!) USER MOD Single : A 69 SER OG : rot -24:sc= 1.18 USER MOD Single : A 72 LYS NZ :NH3+ 164:sc= 2.45 (180deg=1.6) USER MOD Single : A 74 ASN : amide:sc= 0.0844 X(o=0.084,f=0) USER MOD Single : A 76 TYR OH : rot 30:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= 1.88 (180deg=-0.332) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 164:sc= 2.27 (180deg=2.04) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -146:sc= 1.23 (180deg=0.298) USER MOD Single : B 7 THR OG1 : rot 78:sc= 0.218 USER MOD Single : B 12 SER OG : rot 67:sc= 1.17 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 77:sc= 1.34 USER MOD Single : B 22 THR OG1 : rot 180:sc= 0 USER MOD Single : B 26 GLN : amide:sc= 0.951 K(o=0.95,f=-0.13) USER MOD Single : B 30 LYS NZ :NH3+ -173:sc= 1.2 (180deg=1.09) USER MOD Single : B 32 SER OG : rot -100:sc= 1.47 USER MOD Single : B 34 SER OG : rot -110:sc= 0.956 USER MOD Single : B 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 THR OG1 : rot 180:sc= 0 USER MOD Single : B 44 GLN : amide:sc= 0.905 K(o=0.9,f=0) USER MOD Single : B 45 GLN : amide:sc= -0.472 X(o=-0.47,f=-0.78) USER MOD Single : B 48 HIS : no HE2:sc= -0.346 K(o=-0.35,f=-3.4!) USER MOD Single : B 51 LYS NZ :NH3+ -161:sc= -0.249 (180deg=-0.476) USER MOD Single : B 59 LYS NZ :NH3+ -165:sc= 2.19 (180deg=1.9) USER MOD Single : B 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 61 LYS NZ :NH3+ -150:sc= 2.13 (180deg=-1.75) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 66 ASN : amide:sc= -0.157 K(o=-0.16,f=-0.98) USER MOD Single : B 69 SER OG : rot 85:sc= 0.833 USER MOD Single : B 72 LYS NZ :NH3+ 175:sc= 1.19 (180deg=1.05) USER MOD Single : B 74 ASN : amide:sc= 1.86 K(o=1.9,f=-5.6!) USER MOD Single : B 76 TYR OH : rot -100:sc= -0.222 USER MOD Single : B 89 LYS NZ :NH3+ -164:sc= 1.57 (180deg=0.397) USER MOD Single : B 90 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.1) USER MOD Single : B 91 LYS NZ :NH3+ -145:sc= 0.287 (180deg=-3.29!) USER MOD Single : B 94 LYS NZ :NH3+ -171:sc= 0.457 (180deg=-0.654) USER MOD Single : B 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 98 LYS NZ :NH3+ -152:sc= 1.27 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.782 -17.529 14.562 1.00 4.68 N ATOM 2 CA MET A 1 -9.802 -17.758 13.107 1.00 3.87 C ATOM 3 C MET A 1 -10.058 -16.398 12.469 1.00 2.92 C ATOM 4 O MET A 1 -9.954 -15.409 13.192 1.00 2.81 O ATOM 5 CB MET A 1 -10.865 -18.796 12.713 1.00 4.85 C ATOM 6 CG MET A 1 -10.621 -20.182 13.320 1.00 5.66 C ATOM 7 SD MET A 1 -11.836 -21.417 12.790 1.00 7.48 S ATOM 8 CE MET A 1 -11.219 -22.872 13.661 1.00 8.10 C ATOM 0 H1 MET A 1 -8.863 -17.826 14.948 1.00 4.68 H new ATOM 0 H2 MET A 1 -9.928 -16.518 14.756 1.00 4.68 H new ATOM 0 H3 MET A 1 -10.541 -18.081 15.011 1.00 4.68 H new ATOM 0 HA MET A 1 -8.857 -18.174 12.758 1.00 3.87 H new ATOM 0 HB2 MET A 1 -11.845 -18.438 13.028 1.00 4.85 H new ATOM 0 HB3 MET A 1 -10.891 -18.883 11.627 1.00 4.85 H new ATOM 0 HG2 MET A 1 -9.623 -20.522 13.044 1.00 5.66 H new ATOM 0 HG3 MET A 1 -10.642 -20.104 14.407 1.00 5.66 H new ATOM 0 HE1 MET A 1 -11.859 -23.726 13.441 1.00 8.10 H new ATOM 0 HE2 MET A 1 -10.201 -23.087 13.335 1.00 8.10 H new ATOM 0 HE3 MET A 1 -11.223 -22.683 14.734 1.00 8.10 H new ATOM 20 N ALA A 2 -10.399 -16.347 11.181 1.00 2.70 N ATOM 21 CA ALA A 2 -10.935 -15.166 10.528 1.00 2.09 C ATOM 22 C ALA A 2 -11.938 -15.669 9.492 1.00 2.11 C ATOM 23 O ALA A 2 -11.622 -16.618 8.776 1.00 2.68 O ATOM 24 CB ALA A 2 -9.807 -14.365 9.873 1.00 2.51 C ATOM 0 H ALA A 2 -10.306 -17.146 10.554 1.00 2.70 H new ATOM 0 HA ALA A 2 -11.421 -14.496 11.238 1.00 2.09 H new ATOM 0 HB1 ALA A 2 -10.222 -13.482 9.387 1.00 2.51 H new ATOM 0 HB2 ALA A 2 -9.090 -14.057 10.634 1.00 2.51 H new ATOM 0 HB3 ALA A 2 -9.304 -14.985 9.131 1.00 2.51 H new ATOM 30 N ALA A 3 -13.141 -15.095 9.447 1.00 1.90 N ATOM 31 CA ALA A 3 -14.186 -15.476 8.500 1.00 2.16 C ATOM 32 C ALA A 3 -15.161 -14.314 8.276 1.00 1.82 C ATOM 33 O ALA A 3 -16.370 -14.448 8.458 1.00 2.22 O ATOM 34 CB ALA A 3 -14.903 -16.735 9.006 1.00 2.93 C ATOM 0 H ALA A 3 -13.419 -14.342 10.077 1.00 1.90 H new ATOM 0 HA ALA A 3 -13.736 -15.706 7.534 1.00 2.16 H new ATOM 0 HB1 ALA A 3 -15.683 -17.019 8.299 1.00 2.93 H new ATOM 0 HB2 ALA A 3 -14.185 -17.550 9.100 1.00 2.93 H new ATOM 0 HB3 ALA A 3 -15.352 -16.532 9.979 1.00 2.93 H new ATOM 40 N GLU A 4 -14.611 -13.187 7.827 1.00 1.32 N ATOM 41 CA GLU A 4 -15.299 -11.915 7.635 1.00 1.16 C ATOM 42 C GLU A 4 -15.355 -11.674 6.121 1.00 1.37 C ATOM 43 O GLU A 4 -14.545 -12.246 5.391 1.00 1.52 O ATOM 44 CB GLU A 4 -14.551 -10.809 8.399 1.00 1.13 C ATOM 45 CG GLU A 4 -13.491 -11.335 9.373 1.00 2.26 C ATOM 46 CD GLU A 4 -14.078 -12.202 10.486 1.00 4.06 C ATOM 47 OE1 GLU A 4 -15.316 -12.197 10.663 1.00 4.93 O ATOM 48 OE2 GLU A 4 -13.262 -12.942 11.078 1.00 5.03 O ATOM 0 H GLU A 4 -13.624 -13.136 7.575 1.00 1.32 H new ATOM 0 HA GLU A 4 -16.315 -11.920 8.030 1.00 1.16 H new ATOM 0 HB2 GLU A 4 -14.072 -10.145 7.680 1.00 1.13 H new ATOM 0 HB3 GLU A 4 -15.274 -10.211 8.953 1.00 1.13 H new ATOM 0 HG2 GLU A 4 -12.753 -11.916 8.819 1.00 2.26 H new ATOM 0 HG3 GLU A 4 -12.964 -10.491 9.818 1.00 2.26 H new ATOM 55 N PRO A 5 -16.276 -10.845 5.609 1.00 1.60 N ATOM 56 CA PRO A 5 -16.450 -10.665 4.176 1.00 1.97 C ATOM 57 C PRO A 5 -15.392 -9.699 3.623 1.00 1.97 C ATOM 58 O PRO A 5 -15.726 -8.742 2.931 1.00 2.16 O ATOM 59 CB PRO A 5 -17.883 -10.137 4.043 1.00 2.32 C ATOM 60 CG PRO A 5 -18.049 -9.285 5.304 1.00 2.24 C ATOM 61 CD PRO A 5 -17.228 -10.039 6.352 1.00 1.69 C ATOM 0 HA PRO A 5 -16.314 -11.579 3.597 1.00 1.97 H new ATOM 0 HB2 PRO A 5 -18.014 -9.547 3.136 1.00 2.32 H new ATOM 0 HB3 PRO A 5 -18.611 -10.948 4.004 1.00 2.32 H new ATOM 0 HG2 PRO A 5 -17.677 -8.271 5.156 1.00 2.24 H new ATOM 0 HG3 PRO A 5 -19.095 -9.201 5.597 1.00 2.24 H new ATOM 0 HD2 PRO A 5 -16.716 -9.346 7.019 1.00 1.69 H new ATOM 0 HD3 PRO A 5 -17.868 -10.665 6.973 1.00 1.69 H new ATOM 69 N LEU A 6 -14.113 -9.929 3.928 1.00 1.82 N ATOM 70 CA LEU A 6 -13.019 -9.134 3.390 1.00 1.75 C ATOM 71 C LEU A 6 -12.602 -9.664 2.012 1.00 1.68 C ATOM 72 O LEU A 6 -13.116 -10.684 1.556 1.00 2.03 O ATOM 73 CB LEU A 6 -11.859 -9.083 4.394 1.00 1.68 C ATOM 74 CG LEU A 6 -11.163 -10.435 4.632 1.00 1.61 C ATOM 75 CD1 LEU A 6 -9.662 -10.301 4.351 1.00 2.11 C ATOM 76 CD2 LEU A 6 -11.371 -10.897 6.078 1.00 2.47 C ATOM 0 H LEU A 6 -13.812 -10.674 4.556 1.00 1.82 H new ATOM 0 HA LEU A 6 -13.349 -8.106 3.240 1.00 1.75 H new ATOM 0 HB2 LEU A 6 -11.119 -8.365 4.040 1.00 1.68 H new ATOM 0 HB3 LEU A 6 -12.235 -8.709 5.346 1.00 1.68 H new ATOM 0 HG LEU A 6 -11.598 -11.174 3.959 1.00 1.61 H new ATOM 0 HD11 LEU A 6 -9.173 -11.260 4.521 1.00 2.11 H new ATOM 0 HD12 LEU A 6 -9.512 -9.995 3.316 1.00 2.11 H new ATOM 0 HD13 LEU A 6 -9.233 -9.552 5.017 1.00 2.11 H new ATOM 0 HD21 LEU A 6 -10.873 -11.854 6.229 1.00 2.47 H new ATOM 0 HD22 LEU A 6 -10.951 -10.158 6.760 1.00 2.47 H new ATOM 0 HD23 LEU A 6 -12.437 -11.008 6.275 1.00 2.47 H new ATOM 88 N THR A 7 -11.670 -8.972 1.353 1.00 1.34 N ATOM 89 CA THR A 7 -11.174 -9.329 0.029 1.00 1.21 C ATOM 90 C THR A 7 -9.672 -9.046 -0.007 1.00 1.12 C ATOM 91 O THR A 7 -9.202 -8.303 0.851 1.00 1.17 O ATOM 92 CB THR A 7 -11.903 -8.488 -1.038 1.00 1.22 C ATOM 93 OG1 THR A 7 -13.207 -8.103 -0.638 1.00 1.90 O ATOM 94 CG2 THR A 7 -12.004 -9.269 -2.353 1.00 1.24 C ATOM 0 H THR A 7 -11.233 -8.133 1.735 1.00 1.34 H new ATOM 0 HA THR A 7 -11.357 -10.383 -0.179 1.00 1.21 H new ATOM 0 HB THR A 7 -11.310 -7.583 -1.172 1.00 1.22 H new ATOM 0 HG1 THR A 7 -13.167 -7.237 -0.181 1.00 1.90 H new ATOM 0 HG21 THR A 7 -12.521 -8.663 -3.097 1.00 1.24 H new ATOM 0 HG22 THR A 7 -11.003 -9.508 -2.712 1.00 1.24 H new ATOM 0 HG23 THR A 7 -12.560 -10.192 -2.186 1.00 1.24 H new ATOM 102 N GLU A 8 -8.949 -9.561 -1.013 1.00 1.09 N ATOM 103 CA GLU A 8 -7.507 -9.390 -1.219 1.00 1.08 C ATOM 104 C GLU A 8 -7.035 -7.970 -0.878 1.00 1.07 C ATOM 105 O GLU A 8 -6.017 -7.767 -0.219 1.00 1.06 O ATOM 106 CB GLU A 8 -7.168 -9.682 -2.693 1.00 1.18 C ATOM 107 CG GLU A 8 -7.417 -11.134 -3.123 1.00 1.22 C ATOM 108 CD GLU A 8 -7.173 -11.305 -4.622 1.00 1.77 C ATOM 109 OE1 GLU A 8 -5.998 -11.485 -5.009 1.00 2.91 O ATOM 110 OE2 GLU A 8 -8.178 -11.231 -5.360 1.00 2.36 O ATOM 0 H GLU A 8 -9.377 -10.136 -1.739 1.00 1.09 H new ATOM 0 HA GLU A 8 -6.996 -10.085 -0.552 1.00 1.08 H new ATOM 0 HB2 GLU A 8 -7.759 -9.021 -3.327 1.00 1.18 H new ATOM 0 HB3 GLU A 8 -6.120 -9.438 -2.868 1.00 1.18 H new ATOM 0 HG2 GLU A 8 -6.760 -11.801 -2.565 1.00 1.22 H new ATOM 0 HG3 GLU A 8 -8.441 -11.419 -2.882 1.00 1.22 H new ATOM 117 N LEU A 9 -7.787 -6.970 -1.342 1.00 1.09 N ATOM 118 CA LEU A 9 -7.466 -5.570 -1.119 1.00 1.13 C ATOM 119 C LEU A 9 -7.397 -5.297 0.386 1.00 1.10 C ATOM 120 O LEU A 9 -6.365 -4.871 0.908 1.00 1.11 O ATOM 121 CB LEU A 9 -8.531 -4.686 -1.787 1.00 1.23 C ATOM 122 CG LEU A 9 -8.489 -4.630 -3.327 1.00 1.21 C ATOM 123 CD1 LEU A 9 -7.269 -3.856 -3.814 1.00 2.26 C ATOM 124 CD2 LEU A 9 -8.544 -6.003 -4.014 1.00 1.62 C ATOM 0 H LEU A 9 -8.638 -7.115 -1.885 1.00 1.09 H new ATOM 0 HA LEU A 9 -6.497 -5.336 -1.560 1.00 1.13 H new ATOM 0 HB2 LEU A 9 -9.515 -5.043 -1.482 1.00 1.23 H new ATOM 0 HB3 LEU A 9 -8.427 -3.671 -1.403 1.00 1.23 H new ATOM 0 HG LEU A 9 -9.401 -4.107 -3.615 1.00 1.21 H new ATOM 0 HD11 LEU A 9 -7.264 -3.832 -4.904 1.00 2.26 H new ATOM 0 HD12 LEU A 9 -7.307 -2.837 -3.429 1.00 2.26 H new ATOM 0 HD13 LEU A 9 -6.362 -4.345 -3.458 1.00 2.26 H new ATOM 0 HD21 LEU A 9 -8.510 -5.870 -5.095 1.00 1.62 H new ATOM 0 HD22 LEU A 9 -7.692 -6.604 -3.695 1.00 1.62 H new ATOM 0 HD23 LEU A 9 -9.469 -6.510 -3.740 1.00 1.62 H new ATOM 136 N GLU A 10 -8.500 -5.567 1.089 1.00 1.11 N ATOM 137 CA GLU A 10 -8.568 -5.366 2.528 1.00 1.12 C ATOM 138 C GLU A 10 -7.544 -6.244 3.233 1.00 1.04 C ATOM 139 O GLU A 10 -6.884 -5.782 4.148 1.00 1.09 O ATOM 140 CB GLU A 10 -9.989 -5.585 3.064 1.00 1.32 C ATOM 141 CG GLU A 10 -10.421 -4.404 3.943 1.00 2.23 C ATOM 142 CD GLU A 10 -9.790 -4.366 5.330 1.00 2.73 C ATOM 143 OE1 GLU A 10 -9.825 -5.425 5.990 1.00 3.02 O ATOM 144 OE2 GLU A 10 -9.336 -3.265 5.720 1.00 3.90 O ATOM 0 H GLU A 10 -9.360 -5.927 0.676 1.00 1.11 H new ATOM 0 HA GLU A 10 -8.318 -4.327 2.742 1.00 1.12 H new ATOM 0 HB2 GLU A 10 -10.684 -5.700 2.232 1.00 1.32 H new ATOM 0 HB3 GLU A 10 -10.028 -6.509 3.641 1.00 1.32 H new ATOM 0 HG2 GLU A 10 -10.177 -3.477 3.424 1.00 2.23 H new ATOM 0 HG3 GLU A 10 -11.505 -4.431 4.054 1.00 2.23 H new ATOM 151 N GLU A 11 -7.357 -7.478 2.769 1.00 0.99 N ATOM 152 CA GLU A 11 -6.316 -8.358 3.271 1.00 0.96 C ATOM 153 C GLU A 11 -4.951 -7.659 3.199 1.00 0.88 C ATOM 154 O GLU A 11 -4.178 -7.688 4.156 1.00 0.85 O ATOM 155 CB GLU A 11 -6.352 -9.681 2.492 1.00 0.96 C ATOM 156 CG GLU A 11 -5.771 -10.850 3.297 1.00 1.14 C ATOM 157 CD GLU A 11 -6.049 -12.186 2.617 1.00 2.16 C ATOM 158 OE1 GLU A 11 -6.123 -12.183 1.369 1.00 2.79 O ATOM 159 OE2 GLU A 11 -6.205 -13.179 3.359 1.00 3.21 O ATOM 0 H GLU A 11 -7.928 -7.892 2.032 1.00 0.99 H new ATOM 0 HA GLU A 11 -6.490 -8.591 4.321 1.00 0.96 H new ATOM 0 HB2 GLU A 11 -7.382 -9.909 2.217 1.00 0.96 H new ATOM 0 HB3 GLU A 11 -5.791 -9.568 1.564 1.00 0.96 H new ATOM 0 HG2 GLU A 11 -4.695 -10.715 3.412 1.00 1.14 H new ATOM 0 HG3 GLU A 11 -6.201 -10.853 4.299 1.00 1.14 H new ATOM 166 N SER A 12 -4.655 -6.970 2.091 1.00 0.90 N ATOM 167 CA SER A 12 -3.383 -6.277 1.958 1.00 0.91 C ATOM 168 C SER A 12 -3.326 -5.167 3.005 1.00 0.90 C ATOM 169 O SER A 12 -2.361 -5.048 3.760 1.00 1.01 O ATOM 170 CB SER A 12 -3.218 -5.734 0.532 1.00 0.99 C ATOM 171 OG SER A 12 -1.933 -5.167 0.358 1.00 2.12 O ATOM 0 H SER A 12 -5.275 -6.882 1.286 1.00 0.90 H new ATOM 0 HA SER A 12 -2.554 -6.964 2.131 1.00 0.91 H new ATOM 0 HB2 SER A 12 -3.366 -6.539 -0.188 1.00 0.99 H new ATOM 0 HB3 SER A 12 -3.982 -4.983 0.333 1.00 0.99 H new ATOM 0 HG SER A 12 -2.023 -4.221 0.117 1.00 2.12 H new ATOM 177 N ILE A 13 -4.388 -4.364 3.070 1.00 0.84 N ATOM 178 CA ILE A 13 -4.445 -3.213 3.956 1.00 0.81 C ATOM 179 C ILE A 13 -4.290 -3.643 5.420 1.00 0.81 C ATOM 180 O ILE A 13 -3.493 -3.066 6.162 1.00 0.80 O ATOM 181 CB ILE A 13 -5.740 -2.431 3.678 1.00 0.85 C ATOM 182 CG1 ILE A 13 -5.658 -1.815 2.273 1.00 1.04 C ATOM 183 CG2 ILE A 13 -6.032 -1.295 4.668 1.00 0.87 C ATOM 184 CD1 ILE A 13 -7.042 -1.649 1.672 1.00 0.93 C ATOM 0 H ILE A 13 -5.229 -4.497 2.509 1.00 0.84 H new ATOM 0 HA ILE A 13 -3.609 -2.541 3.760 1.00 0.81 H new ATOM 0 HB ILE A 13 -6.548 -3.156 3.780 1.00 0.85 H new ATOM 0 HG12 ILE A 13 -5.161 -0.846 2.325 1.00 1.04 H new ATOM 0 HG13 ILE A 13 -5.051 -2.450 1.628 1.00 1.04 H new ATOM 0 HG21 ILE A 13 -6.964 -0.802 4.391 1.00 0.87 H new ATOM 0 HG22 ILE A 13 -6.122 -1.704 5.674 1.00 0.87 H new ATOM 0 HG23 ILE A 13 -5.217 -0.571 4.642 1.00 0.87 H new ATOM 0 HD11 ILE A 13 -6.957 -1.211 0.677 1.00 0.93 H new ATOM 0 HD12 ILE A 13 -7.526 -2.623 1.599 1.00 0.93 H new ATOM 0 HD13 ILE A 13 -7.638 -0.994 2.307 1.00 0.93 H new ATOM 196 N GLU A 14 -5.043 -4.660 5.837 1.00 0.83 N ATOM 197 CA GLU A 14 -5.041 -5.159 7.195 1.00 0.89 C ATOM 198 C GLU A 14 -3.675 -5.765 7.537 1.00 0.84 C ATOM 199 O GLU A 14 -3.176 -5.588 8.650 1.00 0.86 O ATOM 200 CB GLU A 14 -6.258 -6.047 7.468 1.00 1.17 C ATOM 201 CG GLU A 14 -6.188 -7.492 6.957 1.00 1.21 C ATOM 202 CD GLU A 14 -6.150 -8.555 8.045 1.00 2.17 C ATOM 203 OE1 GLU A 14 -6.435 -8.250 9.227 1.00 2.77 O ATOM 204 OE2 GLU A 14 -6.005 -9.748 7.700 1.00 3.11 O ATOM 0 H GLU A 14 -5.681 -5.164 5.222 1.00 0.83 H new ATOM 0 HA GLU A 14 -5.165 -4.335 7.897 1.00 0.89 H new ATOM 0 HB2 GLU A 14 -6.423 -6.075 8.545 1.00 1.17 H new ATOM 0 HB3 GLU A 14 -7.132 -5.571 7.024 1.00 1.17 H new ATOM 0 HG2 GLU A 14 -7.051 -7.678 6.318 1.00 1.21 H new ATOM 0 HG3 GLU A 14 -5.300 -7.599 6.334 1.00 1.21 H new ATOM 211 N THR A 15 -3.028 -6.404 6.553 1.00 0.84 N ATOM 212 CA THR A 15 -1.654 -6.874 6.677 1.00 0.84 C ATOM 213 C THR A 15 -0.702 -5.689 6.872 1.00 0.72 C ATOM 214 O THR A 15 0.137 -5.723 7.771 1.00 0.71 O ATOM 215 CB THR A 15 -1.252 -7.773 5.496 1.00 0.91 C ATOM 216 OG1 THR A 15 -2.119 -8.885 5.448 1.00 1.07 O ATOM 217 CG2 THR A 15 0.165 -8.328 5.674 1.00 0.98 C ATOM 0 H THR A 15 -3.451 -6.607 5.647 1.00 0.84 H new ATOM 0 HA THR A 15 -1.580 -7.500 7.566 1.00 0.84 H new ATOM 0 HB THR A 15 -1.304 -7.170 4.590 1.00 0.91 H new ATOM 0 HG1 THR A 15 -2.879 -8.682 4.864 1.00 1.07 H new ATOM 0 HG21 THR A 15 0.418 -8.959 4.822 1.00 0.98 H new ATOM 0 HG22 THR A 15 0.874 -7.502 5.737 1.00 0.98 H new ATOM 0 HG23 THR A 15 0.212 -8.918 6.589 1.00 0.98 H new ATOM 225 N VAL A 16 -0.820 -4.616 6.087 1.00 0.68 N ATOM 226 CA VAL A 16 0.017 -3.441 6.274 1.00 0.60 C ATOM 227 C VAL A 16 -0.157 -2.887 7.692 1.00 0.59 C ATOM 228 O VAL A 16 0.820 -2.739 8.427 1.00 0.59 O ATOM 229 CB VAL A 16 -0.293 -2.391 5.197 1.00 0.59 C ATOM 230 CG1 VAL A 16 0.330 -1.051 5.579 1.00 0.60 C ATOM 231 CG2 VAL A 16 0.259 -2.826 3.834 1.00 0.64 C ATOM 0 H VAL A 16 -1.487 -4.542 5.319 1.00 0.68 H new ATOM 0 HA VAL A 16 1.065 -3.720 6.162 1.00 0.60 H new ATOM 0 HB VAL A 16 -1.376 -2.291 5.127 1.00 0.59 H new ATOM 0 HG11 VAL A 16 0.105 -0.313 4.809 1.00 0.60 H new ATOM 0 HG12 VAL A 16 -0.080 -0.718 6.533 1.00 0.60 H new ATOM 0 HG13 VAL A 16 1.410 -1.164 5.668 1.00 0.60 H new ATOM 0 HG21 VAL A 16 0.027 -2.066 3.088 1.00 0.64 H new ATOM 0 HG22 VAL A 16 1.340 -2.950 3.902 1.00 0.64 H new ATOM 0 HG23 VAL A 16 -0.197 -3.772 3.542 1.00 0.64 H new ATOM 241 N VAL A 17 -1.392 -2.568 8.094 1.00 0.62 N ATOM 242 CA VAL A 17 -1.609 -1.972 9.409 1.00 0.66 C ATOM 243 C VAL A 17 -1.167 -2.933 10.527 1.00 0.69 C ATOM 244 O VAL A 17 -0.637 -2.499 11.555 1.00 0.76 O ATOM 245 CB VAL A 17 -3.042 -1.439 9.588 1.00 0.74 C ATOM 246 CG1 VAL A 17 -3.428 -0.418 8.508 1.00 0.70 C ATOM 247 CG2 VAL A 17 -4.047 -2.583 9.605 1.00 0.86 C ATOM 0 H VAL A 17 -2.236 -2.710 7.540 1.00 0.62 H new ATOM 0 HA VAL A 17 -0.973 -1.090 9.484 1.00 0.66 H new ATOM 0 HB VAL A 17 -3.065 -0.925 10.549 1.00 0.74 H new ATOM 0 HG11 VAL A 17 -4.448 -0.074 8.681 1.00 0.70 H new ATOM 0 HG12 VAL A 17 -2.746 0.431 8.550 1.00 0.70 H new ATOM 0 HG13 VAL A 17 -3.364 -0.886 7.526 1.00 0.70 H new ATOM 0 HG21 VAL A 17 -5.053 -2.182 9.733 1.00 0.86 H new ATOM 0 HG22 VAL A 17 -3.991 -3.130 8.664 1.00 0.86 H new ATOM 0 HG23 VAL A 17 -3.818 -3.257 10.431 1.00 0.86 H new ATOM 257 N THR A 18 -1.367 -4.242 10.342 1.00 0.69 N ATOM 258 CA THR A 18 -0.784 -5.290 11.175 1.00 0.75 C ATOM 259 C THR A 18 0.734 -5.139 11.262 1.00 0.76 C ATOM 260 O THR A 18 1.311 -5.219 12.343 1.00 0.79 O ATOM 261 CB THR A 18 -1.160 -6.664 10.602 1.00 0.85 C ATOM 262 OG1 THR A 18 -2.496 -6.951 10.943 1.00 1.59 O ATOM 263 CG2 THR A 18 -0.208 -7.788 11.013 1.00 1.17 C ATOM 0 H THR A 18 -1.953 -4.607 9.591 1.00 0.69 H new ATOM 0 HA THR A 18 -1.182 -5.201 12.186 1.00 0.75 H new ATOM 0 HB THR A 18 -1.060 -6.610 9.518 1.00 0.85 H new ATOM 0 HG1 THR A 18 -3.096 -6.557 10.276 1.00 1.59 H new ATOM 0 HG21 THR A 18 -0.540 -8.727 10.569 1.00 1.17 H new ATOM 0 HG22 THR A 18 0.799 -7.558 10.664 1.00 1.17 H new ATOM 0 HG23 THR A 18 -0.203 -7.882 12.099 1.00 1.17 H new ATOM 271 N THR A 19 1.386 -4.960 10.121 1.00 0.75 N ATOM 272 CA THR A 19 2.828 -5.046 10.007 1.00 0.75 C ATOM 273 C THR A 19 3.550 -3.940 10.787 1.00 0.74 C ATOM 274 O THR A 19 4.648 -4.172 11.286 1.00 0.95 O ATOM 275 CB THR A 19 3.184 -5.177 8.527 1.00 0.78 C ATOM 276 OG1 THR A 19 2.746 -6.435 8.062 1.00 1.32 O ATOM 277 CG2 THR A 19 4.677 -5.082 8.242 1.00 0.91 C ATOM 0 H THR A 19 0.918 -4.748 9.240 1.00 0.75 H new ATOM 0 HA THR A 19 3.204 -5.943 10.499 1.00 0.75 H new ATOM 0 HB THR A 19 2.695 -4.345 8.021 1.00 0.78 H new ATOM 0 HG1 THR A 19 1.773 -6.421 7.948 1.00 1.32 H new ATOM 0 HG21 THR A 19 4.850 -5.184 7.171 1.00 0.91 H new ATOM 0 HG22 THR A 19 5.051 -4.115 8.580 1.00 0.91 H new ATOM 0 HG23 THR A 19 5.200 -5.878 8.771 1.00 0.91 H new ATOM 285 N PHE A 20 2.925 -2.774 11.001 1.00 0.71 N ATOM 286 CA PHE A 20 3.454 -1.825 11.986 1.00 0.80 C ATOM 287 C PHE A 20 3.638 -2.467 13.373 1.00 0.95 C ATOM 288 O PHE A 20 4.546 -2.087 14.104 1.00 1.06 O ATOM 289 CB PHE A 20 2.557 -0.588 12.123 1.00 0.93 C ATOM 290 CG PHE A 20 2.426 0.260 10.873 1.00 0.81 C ATOM 291 CD1 PHE A 20 3.552 0.911 10.338 1.00 1.64 C ATOM 292 CD2 PHE A 20 1.165 0.463 10.287 1.00 1.57 C ATOM 293 CE1 PHE A 20 3.437 1.656 9.152 1.00 1.45 C ATOM 294 CE2 PHE A 20 1.053 1.174 9.080 1.00 1.75 C ATOM 295 CZ PHE A 20 2.194 1.758 8.503 1.00 0.83 C ATOM 0 H PHE A 20 2.077 -2.472 10.520 1.00 0.71 H new ATOM 0 HA PHE A 20 4.430 -1.520 11.609 1.00 0.80 H new ATOM 0 HB2 PHE A 20 1.562 -0.913 12.427 1.00 0.93 H new ATOM 0 HB3 PHE A 20 2.948 0.037 12.926 1.00 0.93 H new ATOM 0 HD1 PHE A 20 4.506 0.838 10.839 1.00 1.64 H new ATOM 0 HD2 PHE A 20 0.279 0.072 10.766 1.00 1.57 H new ATOM 0 HE1 PHE A 20 4.304 2.150 8.739 1.00 1.45 H new ATOM 0 HE2 PHE A 20 0.092 1.272 8.597 1.00 1.75 H new ATOM 0 HZ PHE A 20 2.116 2.284 7.563 1.00 0.83 H new ATOM 305 N PHE A 21 2.758 -3.403 13.744 1.00 1.03 N ATOM 306 CA PHE A 21 2.798 -4.113 15.018 1.00 1.22 C ATOM 307 C PHE A 21 3.840 -5.231 14.971 1.00 1.27 C ATOM 308 O PHE A 21 4.710 -5.303 15.836 1.00 1.56 O ATOM 309 CB PHE A 21 1.397 -4.641 15.361 1.00 1.22 C ATOM 310 CG PHE A 21 1.185 -5.023 16.812 1.00 1.56 C ATOM 311 CD1 PHE A 21 1.558 -6.302 17.266 1.00 2.91 C ATOM 312 CD2 PHE A 21 0.533 -4.134 17.686 1.00 2.05 C ATOM 313 CE1 PHE A 21 1.260 -6.697 18.581 1.00 3.45 C ATOM 314 CE2 PHE A 21 0.223 -4.536 18.997 1.00 2.47 C ATOM 315 CZ PHE A 21 0.584 -5.817 19.443 1.00 2.79 C ATOM 0 H PHE A 21 1.981 -3.692 13.149 1.00 1.03 H new ATOM 0 HA PHE A 21 3.099 -3.428 15.811 1.00 1.22 H new ATOM 0 HB2 PHE A 21 0.664 -3.880 15.092 1.00 1.22 H new ATOM 0 HB3 PHE A 21 1.193 -5.513 14.740 1.00 1.22 H new ATOM 0 HD1 PHE A 21 2.074 -6.981 16.603 1.00 2.91 H new ATOM 0 HD2 PHE A 21 0.270 -3.142 17.350 1.00 2.05 H new ATOM 0 HE1 PHE A 21 1.551 -7.677 18.929 1.00 3.45 H new ATOM 0 HE2 PHE A 21 -0.293 -3.859 19.661 1.00 2.47 H new ATOM 0 HZ PHE A 21 0.342 -6.126 20.449 1.00 2.79 H new ATOM 325 N THR A 22 3.818 -6.077 13.932 1.00 1.18 N ATOM 326 CA THR A 22 4.877 -7.078 13.756 1.00 1.50 C ATOM 327 C THR A 22 6.074 -6.404 13.073 1.00 1.76 C ATOM 328 O THR A 22 6.513 -6.768 11.986 1.00 2.18 O ATOM 329 CB THR A 22 4.361 -8.381 13.105 1.00 1.92 C ATOM 330 OG1 THR A 22 5.412 -9.313 12.931 1.00 3.46 O ATOM 331 CG2 THR A 22 3.609 -8.209 11.788 1.00 2.72 C ATOM 0 H THR A 22 3.094 -6.089 13.214 1.00 1.18 H new ATOM 0 HA THR A 22 5.233 -7.438 14.721 1.00 1.50 H new ATOM 0 HB THR A 22 3.625 -8.756 13.817 1.00 1.92 H new ATOM 0 HG1 THR A 22 5.844 -9.161 12.065 1.00 3.46 H new ATOM 0 HG21 THR A 22 3.292 -9.185 11.420 1.00 2.72 H new ATOM 0 HG22 THR A 22 2.733 -7.580 11.948 1.00 2.72 H new ATOM 0 HG23 THR A 22 4.264 -7.739 11.054 1.00 2.72 H new ATOM 339 N PHE A 23 6.617 -5.401 13.766 1.00 2.05 N ATOM 340 CA PHE A 23 7.782 -4.633 13.364 1.00 2.49 C ATOM 341 C PHE A 23 8.936 -5.052 14.270 1.00 2.77 C ATOM 342 O PHE A 23 9.300 -4.335 15.198 1.00 4.10 O ATOM 343 CB PHE A 23 7.449 -3.138 13.454 1.00 3.04 C ATOM 344 CG PHE A 23 8.575 -2.203 13.056 1.00 3.68 C ATOM 345 CD1 PHE A 23 8.947 -2.076 11.705 1.00 4.60 C ATOM 346 CD2 PHE A 23 9.231 -1.432 14.036 1.00 4.32 C ATOM 347 CE1 PHE A 23 9.963 -1.176 11.334 1.00 5.73 C ATOM 348 CE2 PHE A 23 10.234 -0.520 13.664 1.00 5.26 C ATOM 349 CZ PHE A 23 10.598 -0.392 12.314 1.00 5.85 C ATOM 0 H PHE A 23 6.235 -5.094 14.661 1.00 2.05 H new ATOM 0 HA PHE A 23 8.074 -4.823 12.331 1.00 2.49 H new ATOM 0 HB2 PHE A 23 6.587 -2.935 12.819 1.00 3.04 H new ATOM 0 HB3 PHE A 23 7.152 -2.909 14.477 1.00 3.04 H new ATOM 0 HD1 PHE A 23 8.452 -2.670 10.951 1.00 4.60 H new ATOM 0 HD2 PHE A 23 8.962 -1.542 15.076 1.00 4.32 H new ATOM 0 HE1 PHE A 23 10.255 -1.087 10.298 1.00 5.73 H new ATOM 0 HE2 PHE A 23 10.724 0.081 14.416 1.00 5.26 H new ATOM 0 HZ PHE A 23 11.367 0.310 12.027 1.00 5.85 H new ATOM 359 N ALA A 24 9.483 -6.244 14.007 1.00 2.64 N ATOM 360 CA ALA A 24 10.659 -6.782 14.682 1.00 2.98 C ATOM 361 C ALA A 24 10.553 -6.682 16.209 1.00 3.18 C ATOM 362 O ALA A 24 11.315 -5.955 16.839 1.00 3.74 O ATOM 363 CB ALA A 24 11.920 -6.094 14.143 1.00 3.38 C ATOM 0 H ALA A 24 9.106 -6.874 13.299 1.00 2.64 H new ATOM 0 HA ALA A 24 10.723 -7.848 14.463 1.00 2.98 H new ATOM 0 HB1 ALA A 24 12.798 -6.497 14.648 1.00 3.38 H new ATOM 0 HB2 ALA A 24 12.003 -6.274 13.071 1.00 3.38 H new ATOM 0 HB3 ALA A 24 11.856 -5.021 14.326 1.00 3.38 H new ATOM 369 N ARG A 25 9.628 -7.458 16.788 1.00 3.23 N ATOM 370 CA ARG A 25 9.301 -7.485 18.212 1.00 3.68 C ATOM 371 C ARG A 25 9.074 -6.079 18.783 1.00 3.60 C ATOM 372 O ARG A 25 9.916 -5.521 19.489 1.00 4.03 O ATOM 373 CB ARG A 25 10.274 -8.353 19.036 1.00 4.58 C ATOM 374 CG ARG A 25 11.757 -7.969 18.928 1.00 5.48 C ATOM 375 CD ARG A 25 12.609 -8.716 19.958 1.00 6.31 C ATOM 376 NE ARG A 25 14.008 -8.267 19.877 1.00 7.30 N ATOM 377 CZ ARG A 25 14.992 -8.642 20.709 1.00 8.30 C ATOM 378 NH1 ARG A 25 14.736 -9.520 21.685 1.00 8.62 N ATOM 379 NH2 ARG A 25 16.222 -8.138 20.561 1.00 9.38 N ATOM 0 H ARG A 25 9.063 -8.113 16.248 1.00 3.23 H new ATOM 0 HA ARG A 25 8.340 -7.991 18.305 1.00 3.68 H new ATOM 0 HB2 ARG A 25 9.979 -8.303 20.084 1.00 4.58 H new ATOM 0 HB3 ARG A 25 10.162 -9.391 18.723 1.00 4.58 H new ATOM 0 HG2 ARG A 25 12.119 -8.193 17.925 1.00 5.48 H new ATOM 0 HG3 ARG A 25 11.867 -6.895 19.075 1.00 5.48 H new ATOM 0 HD2 ARG A 25 12.220 -8.539 20.961 1.00 6.31 H new ATOM 0 HD3 ARG A 25 12.552 -9.790 19.779 1.00 6.31 H new ATOM 0 HE ARG A 25 14.249 -7.618 19.128 1.00 7.30 H new ATOM 0 HH11 ARG A 25 13.796 -9.901 21.794 1.00 8.62 H new ATOM 0 HH12 ARG A 25 15.480 -9.808 22.320 1.00 8.62 H new ATOM 0 HH21 ARG A 25 16.412 -7.468 19.816 1.00 9.38 H new ATOM 0 HH22 ARG A 25 16.970 -8.423 21.194 1.00 9.38 H new ATOM 393 N GLN A 26 7.927 -5.483 18.455 1.00 3.82 N ATOM 394 CA GLN A 26 7.563 -4.165 18.945 1.00 4.23 C ATOM 395 C GLN A 26 6.040 -4.070 18.993 1.00 4.15 C ATOM 396 O GLN A 26 5.403 -3.473 18.128 1.00 5.18 O ATOM 397 CB GLN A 26 8.238 -3.098 18.065 1.00 5.59 C ATOM 398 CG GLN A 26 8.364 -1.747 18.779 1.00 6.56 C ATOM 399 CD GLN A 26 9.397 -1.701 19.911 1.00 7.56 C ATOM 400 OE1 GLN A 26 9.550 -0.665 20.548 1.00 8.62 O ATOM 401 NE2 GLN A 26 10.122 -2.783 20.195 1.00 7.75 N ATOM 0 H GLN A 26 7.229 -5.905 17.842 1.00 3.82 H new ATOM 0 HA GLN A 26 7.920 -3.989 19.960 1.00 4.23 H new ATOM 0 HB2 GLN A 26 9.229 -3.445 17.773 1.00 5.59 H new ATOM 0 HB3 GLN A 26 7.662 -2.969 17.148 1.00 5.59 H new ATOM 0 HG2 GLN A 26 8.623 -0.987 18.042 1.00 6.56 H new ATOM 0 HG3 GLN A 26 7.390 -1.477 19.187 1.00 6.56 H new ATOM 0 HE21 GLN A 26 9.988 -3.641 19.660 1.00 7.75 H new ATOM 0 HE22 GLN A 26 10.810 -2.753 20.947 1.00 7.75 H new ATOM 410 N GLU A 27 5.457 -4.685 20.021 1.00 3.77 N ATOM 411 CA GLU A 27 4.066 -5.096 20.060 1.00 4.54 C ATOM 412 C GLU A 27 3.177 -3.914 20.459 1.00 4.12 C ATOM 413 O GLU A 27 2.518 -3.927 21.499 1.00 4.71 O ATOM 414 CB GLU A 27 3.935 -6.276 21.040 1.00 5.69 C ATOM 415 CG GLU A 27 4.721 -7.534 20.614 1.00 6.79 C ATOM 416 CD GLU A 27 6.237 -7.459 20.804 1.00 7.41 C ATOM 417 OE1 GLU A 27 6.693 -6.518 21.492 1.00 7.23 O ATOM 418 OE2 GLU A 27 6.922 -8.327 20.226 1.00 8.52 O ATOM 0 H GLU A 27 5.963 -4.916 20.876 1.00 3.77 H new ATOM 0 HA GLU A 27 3.734 -5.423 19.075 1.00 4.54 H new ATOM 0 HB2 GLU A 27 4.282 -5.959 22.023 1.00 5.69 H new ATOM 0 HB3 GLU A 27 2.881 -6.535 21.142 1.00 5.69 H new ATOM 0 HG2 GLU A 27 4.343 -8.386 21.179 1.00 6.79 H new ATOM 0 HG3 GLU A 27 4.513 -7.732 19.562 1.00 6.79 H new ATOM 425 N GLY A 28 3.151 -2.889 19.608 1.00 3.93 N ATOM 426 CA GLY A 28 2.333 -1.700 19.751 1.00 3.61 C ATOM 427 C GLY A 28 2.179 -1.063 18.374 1.00 3.27 C ATOM 428 O GLY A 28 2.731 -1.559 17.396 1.00 4.00 O ATOM 0 H GLY A 28 3.727 -2.870 18.766 1.00 3.93 H new ATOM 0 HA2 GLY A 28 1.357 -1.957 20.163 1.00 3.61 H new ATOM 0 HA3 GLY A 28 2.798 -0.999 20.445 1.00 3.61 H new ATOM 432 N ARG A 29 1.423 0.031 18.277 1.00 2.68 N ATOM 433 CA ARG A 29 1.277 0.774 17.036 1.00 2.50 C ATOM 434 C ARG A 29 1.011 2.229 17.395 1.00 2.05 C ATOM 435 O ARG A 29 0.000 2.517 18.032 1.00 2.11 O ATOM 436 CB ARG A 29 0.126 0.193 16.203 1.00 3.04 C ATOM 437 CG ARG A 29 -0.017 0.910 14.850 1.00 3.49 C ATOM 438 CD ARG A 29 -1.255 0.465 14.063 1.00 4.92 C ATOM 439 NE ARG A 29 -1.229 -0.968 13.722 1.00 5.66 N ATOM 440 CZ ARG A 29 -1.779 -1.975 14.418 1.00 6.41 C ATOM 441 NH1 ARG A 29 -2.392 -1.754 15.586 1.00 6.44 N ATOM 442 NH2 ARG A 29 -1.701 -3.208 13.918 1.00 7.87 N ATOM 0 H ARG A 29 0.897 0.422 19.059 1.00 2.68 H new ATOM 0 HA ARG A 29 2.183 0.701 16.435 1.00 2.50 H new ATOM 0 HB2 ARG A 29 0.299 -0.870 16.035 1.00 3.04 H new ATOM 0 HB3 ARG A 29 -0.806 0.280 16.761 1.00 3.04 H new ATOM 0 HG2 ARG A 29 -0.068 1.986 15.019 1.00 3.49 H new ATOM 0 HG3 ARG A 29 0.874 0.724 14.250 1.00 3.49 H new ATOM 0 HD2 ARG A 29 -2.149 0.678 14.649 1.00 4.92 H new ATOM 0 HD3 ARG A 29 -1.328 1.051 13.147 1.00 4.92 H new ATOM 0 HE ARG A 29 -0.740 -1.222 12.864 1.00 5.66 H new ATOM 0 HH11 ARG A 29 -2.447 -0.807 15.962 1.00 6.44 H new ATOM 0 HH12 ARG A 29 -2.804 -2.532 16.101 1.00 6.44 H new ATOM 0 HH21 ARG A 29 -1.232 -3.368 13.027 1.00 7.87 H new ATOM 0 HH22 ARG A 29 -2.111 -3.991 14.427 1.00 7.87 H new ATOM 456 N LYS A 30 1.908 3.127 16.984 1.00 1.93 N ATOM 457 CA LYS A 30 1.635 4.553 16.965 1.00 1.91 C ATOM 458 C LYS A 30 0.832 4.843 15.689 1.00 1.84 C ATOM 459 O LYS A 30 -0.393 4.753 15.703 1.00 2.48 O ATOM 460 CB LYS A 30 2.968 5.313 17.096 1.00 2.10 C ATOM 461 CG LYS A 30 2.784 6.838 17.164 1.00 3.24 C ATOM 462 CD LYS A 30 3.473 7.562 15.997 1.00 4.05 C ATOM 463 CE LYS A 30 5.004 7.473 16.039 1.00 4.24 C ATOM 464 NZ LYS A 30 5.578 8.354 17.071 1.00 4.84 N ATOM 0 H LYS A 30 2.842 2.880 16.656 1.00 1.93 H new ATOM 0 HA LYS A 30 1.028 4.896 17.803 1.00 1.91 H new ATOM 0 HB2 LYS A 30 3.487 4.974 17.993 1.00 2.10 H new ATOM 0 HB3 LYS A 30 3.606 5.067 16.247 1.00 2.10 H new ATOM 0 HG2 LYS A 30 1.720 7.074 17.157 1.00 3.24 H new ATOM 0 HG3 LYS A 30 3.187 7.208 18.107 1.00 3.24 H new ATOM 0 HD2 LYS A 30 3.118 7.139 15.057 1.00 4.05 H new ATOM 0 HD3 LYS A 30 3.178 8.611 16.006 1.00 4.05 H new ATOM 0 HE2 LYS A 30 5.302 6.443 16.234 1.00 4.24 H new ATOM 0 HE3 LYS A 30 5.410 7.743 15.064 1.00 4.24 H new ATOM 0 HZ1 LYS A 30 6.613 8.252 17.078 1.00 4.84 H new ATOM 0 HZ2 LYS A 30 5.329 9.342 16.862 1.00 4.84 H new ATOM 0 HZ3 LYS A 30 5.198 8.091 18.003 1.00 4.84 H new ATOM 478 N ASP A 31 1.525 5.106 14.575 1.00 1.51 N ATOM 479 CA ASP A 31 0.926 5.419 13.280 1.00 1.65 C ATOM 480 C ASP A 31 1.810 4.817 12.189 1.00 1.72 C ATOM 481 O ASP A 31 1.349 4.043 11.353 1.00 2.45 O ATOM 482 CB ASP A 31 0.806 6.939 13.069 1.00 1.75 C ATOM 483 CG ASP A 31 -0.020 7.658 14.125 1.00 2.53 C ATOM 484 OD1 ASP A 31 0.582 8.018 15.159 1.00 3.72 O ATOM 485 OD2 ASP A 31 -1.222 7.871 13.859 1.00 3.14 O ATOM 0 H ASP A 31 2.545 5.106 14.553 1.00 1.51 H new ATOM 0 HA ASP A 31 -0.080 5.000 13.241 1.00 1.65 H new ATOM 0 HB2 ASP A 31 1.807 7.371 13.052 1.00 1.75 H new ATOM 0 HB3 ASP A 31 0.362 7.124 12.091 1.00 1.75 H new ATOM 490 N SER A 32 3.088 5.200 12.214 1.00 1.24 N ATOM 491 CA SER A 32 4.201 4.605 11.494 1.00 1.13 C ATOM 492 C SER A 32 5.465 4.980 12.284 1.00 1.06 C ATOM 493 O SER A 32 5.363 5.285 13.475 1.00 1.28 O ATOM 494 CB SER A 32 4.198 5.084 10.037 1.00 1.10 C ATOM 495 OG SER A 32 5.290 4.562 9.297 1.00 1.56 O ATOM 0 H SER A 32 3.387 5.993 12.782 1.00 1.24 H new ATOM 0 HA SER A 32 4.140 3.519 11.427 1.00 1.13 H new ATOM 0 HB2 SER A 32 3.264 4.786 9.561 1.00 1.10 H new ATOM 0 HB3 SER A 32 4.234 6.173 10.015 1.00 1.10 H new ATOM 0 HG SER A 32 5.532 5.190 8.584 1.00 1.56 H new ATOM 501 N LEU A 33 6.628 4.958 11.629 1.00 0.93 N ATOM 502 CA LEU A 33 7.949 5.100 12.221 1.00 0.91 C ATOM 503 C LEU A 33 8.499 6.500 11.926 1.00 0.77 C ATOM 504 O LEU A 33 7.780 7.367 11.418 1.00 0.84 O ATOM 505 CB LEU A 33 8.893 4.032 11.638 1.00 1.08 C ATOM 506 CG LEU A 33 8.456 2.561 11.702 1.00 1.25 C ATOM 507 CD1 LEU A 33 7.924 2.150 13.078 1.00 1.71 C ATOM 508 CD2 LEU A 33 7.472 2.214 10.587 1.00 1.31 C ATOM 0 H LEU A 33 6.669 4.834 10.617 1.00 0.93 H new ATOM 0 HA LEU A 33 7.879 4.965 13.300 1.00 0.91 H new ATOM 0 HB2 LEU A 33 9.071 4.281 10.592 1.00 1.08 H new ATOM 0 HB3 LEU A 33 9.850 4.117 12.153 1.00 1.08 H new ATOM 0 HG LEU A 33 9.358 1.971 11.540 1.00 1.25 H new ATOM 0 HD11 LEU A 33 7.632 1.100 13.057 1.00 1.71 H new ATOM 0 HD12 LEU A 33 8.702 2.295 13.827 1.00 1.71 H new ATOM 0 HD13 LEU A 33 7.058 2.762 13.331 1.00 1.71 H new ATOM 0 HD21 LEU A 33 7.187 1.165 10.667 1.00 1.31 H new ATOM 0 HD22 LEU A 33 6.584 2.839 10.678 1.00 1.31 H new ATOM 0 HD23 LEU A 33 7.942 2.390 9.619 1.00 1.31 H new ATOM 520 N SER A 34 9.789 6.711 12.196 1.00 0.74 N ATOM 521 CA SER A 34 10.463 7.951 11.828 1.00 0.70 C ATOM 522 C SER A 34 10.779 7.932 10.330 1.00 0.62 C ATOM 523 O SER A 34 10.811 6.866 9.717 1.00 0.61 O ATOM 524 CB SER A 34 11.715 8.190 12.684 1.00 0.86 C ATOM 525 OG SER A 34 11.555 7.658 13.984 1.00 1.73 O ATOM 0 H SER A 34 10.387 6.034 12.670 1.00 0.74 H new ATOM 0 HA SER A 34 9.798 8.791 12.028 1.00 0.70 H new ATOM 0 HB2 SER A 34 12.580 7.731 12.204 1.00 0.86 H new ATOM 0 HB3 SER A 34 11.916 9.259 12.748 1.00 0.86 H new ATOM 0 HG SER A 34 11.769 6.702 13.975 1.00 1.73 H new ATOM 531 N VAL A 35 11.009 9.091 9.708 1.00 0.66 N ATOM 532 CA VAL A 35 11.164 9.149 8.257 1.00 0.69 C ATOM 533 C VAL A 35 12.463 8.461 7.800 1.00 0.71 C ATOM 534 O VAL A 35 12.439 7.545 6.976 1.00 0.72 O ATOM 535 CB VAL A 35 11.086 10.614 7.820 1.00 0.88 C ATOM 536 CG1 VAL A 35 11.391 10.797 6.345 1.00 1.27 C ATOM 537 CG2 VAL A 35 9.703 11.231 8.080 1.00 0.86 C ATOM 0 H VAL A 35 11.091 9.991 10.182 1.00 0.66 H new ATOM 0 HA VAL A 35 10.358 8.597 7.774 1.00 0.69 H new ATOM 0 HB VAL A 35 11.840 11.120 8.422 1.00 0.88 H new ATOM 0 HG11 VAL A 35 11.322 11.854 6.088 1.00 1.27 H new ATOM 0 HG12 VAL A 35 12.398 10.437 6.134 1.00 1.27 H new ATOM 0 HG13 VAL A 35 10.672 10.231 5.752 1.00 1.27 H new ATOM 0 HG21 VAL A 35 9.701 12.271 7.752 1.00 0.86 H new ATOM 0 HG22 VAL A 35 8.947 10.675 7.527 1.00 0.86 H new ATOM 0 HG23 VAL A 35 9.479 11.186 9.146 1.00 0.86 H new ATOM 547 N ASN A 36 13.609 8.906 8.324 1.00 0.80 N ATOM 548 CA ASN A 36 14.902 8.291 8.003 1.00 0.94 C ATOM 549 C ASN A 36 14.890 6.807 8.388 1.00 0.89 C ATOM 550 O ASN A 36 15.359 5.958 7.633 1.00 1.01 O ATOM 551 CB ASN A 36 16.091 8.960 8.715 1.00 1.20 C ATOM 552 CG ASN A 36 15.989 8.985 10.239 1.00 3.26 C ATOM 553 OD1 ASN A 36 16.546 8.128 10.913 1.00 4.35 O ATOM 554 ND2 ASN A 36 15.279 9.956 10.810 1.00 4.35 N ATOM 0 H ASN A 36 13.668 9.691 8.973 1.00 0.80 H new ATOM 0 HA ASN A 36 15.036 8.422 6.929 1.00 0.94 H new ATOM 0 HB2 ASN A 36 17.006 8.438 8.434 1.00 1.20 H new ATOM 0 HB3 ASN A 36 16.184 9.984 8.354 1.00 1.20 H new ATOM 0 HD21 ASN A 36 15.192 9.995 11.826 1.00 4.35 H new ATOM 0 HD22 ASN A 36 14.822 10.661 10.232 1.00 4.35 H new ATOM 561 N GLU A 37 14.350 6.505 9.574 1.00 0.85 N ATOM 562 CA GLU A 37 14.203 5.148 10.077 1.00 0.88 C ATOM 563 C GLU A 37 13.505 4.318 9.005 1.00 0.76 C ATOM 564 O GLU A 37 14.081 3.374 8.472 1.00 0.76 O ATOM 565 CB GLU A 37 13.405 5.204 11.386 1.00 0.97 C ATOM 566 CG GLU A 37 13.139 3.843 12.040 1.00 1.41 C ATOM 567 CD GLU A 37 12.192 3.968 13.230 1.00 2.55 C ATOM 568 OE1 GLU A 37 11.640 5.079 13.414 1.00 3.38 O ATOM 569 OE2 GLU A 37 11.991 2.933 13.898 1.00 3.45 O ATOM 0 H GLU A 37 13.999 7.214 10.217 1.00 0.85 H new ATOM 0 HA GLU A 37 15.165 4.682 10.291 1.00 0.88 H new ATOM 0 HB2 GLU A 37 13.943 5.833 12.096 1.00 0.97 H new ATOM 0 HB3 GLU A 37 12.449 5.690 11.191 1.00 0.97 H new ATOM 0 HG2 GLU A 37 12.712 3.162 11.304 1.00 1.41 H new ATOM 0 HG3 GLU A 37 14.082 3.406 12.369 1.00 1.41 H new ATOM 576 N PHE A 38 12.285 4.725 8.641 1.00 0.70 N ATOM 577 CA PHE A 38 11.525 4.131 7.557 1.00 0.63 C ATOM 578 C PHE A 38 12.406 3.908 6.331 1.00 0.63 C ATOM 579 O PHE A 38 12.490 2.774 5.881 1.00 0.68 O ATOM 580 CB PHE A 38 10.294 4.984 7.245 1.00 0.61 C ATOM 581 CG PHE A 38 9.652 4.721 5.896 1.00 0.64 C ATOM 582 CD1 PHE A 38 10.091 5.442 4.768 1.00 2.06 C ATOM 583 CD2 PHE A 38 8.574 3.826 5.778 1.00 2.13 C ATOM 584 CE1 PHE A 38 9.483 5.236 3.520 1.00 2.16 C ATOM 585 CE2 PHE A 38 7.918 3.680 4.543 1.00 2.15 C ATOM 586 CZ PHE A 38 8.375 4.383 3.415 1.00 0.98 C ATOM 0 H PHE A 38 11.797 5.491 9.105 1.00 0.70 H new ATOM 0 HA PHE A 38 11.170 3.149 7.868 1.00 0.63 H new ATOM 0 HB2 PHE A 38 9.549 4.817 8.023 1.00 0.61 H new ATOM 0 HB3 PHE A 38 10.578 6.035 7.296 1.00 0.61 H new ATOM 0 HD1 PHE A 38 10.897 6.155 4.864 1.00 2.06 H new ATOM 0 HD2 PHE A 38 8.251 3.252 6.634 1.00 2.13 H new ATOM 0 HE1 PHE A 38 9.868 5.734 2.642 1.00 2.16 H new ATOM 0 HE2 PHE A 38 7.062 3.027 4.461 1.00 2.15 H new ATOM 0 HZ PHE A 38 7.872 4.266 2.466 1.00 0.98 H new ATOM 596 N LYS A 39 13.073 4.940 5.804 1.00 0.66 N ATOM 597 CA LYS A 39 13.940 4.796 4.632 1.00 0.76 C ATOM 598 C LYS A 39 14.878 3.588 4.788 1.00 0.78 C ATOM 599 O LYS A 39 14.883 2.678 3.952 1.00 0.81 O ATOM 600 CB LYS A 39 14.723 6.102 4.402 1.00 1.03 C ATOM 601 CG LYS A 39 15.791 6.034 3.292 1.00 1.35 C ATOM 602 CD LYS A 39 17.031 6.850 3.706 1.00 2.02 C ATOM 603 CE LYS A 39 18.249 6.548 2.821 1.00 2.54 C ATOM 604 NZ LYS A 39 19.503 7.042 3.431 1.00 3.59 N ATOM 0 H LYS A 39 13.028 5.889 6.174 1.00 0.66 H new ATOM 0 HA LYS A 39 13.324 4.608 3.753 1.00 0.76 H new ATOM 0 HB2 LYS A 39 14.015 6.894 4.157 1.00 1.03 H new ATOM 0 HB3 LYS A 39 15.208 6.386 5.336 1.00 1.03 H new ATOM 0 HG2 LYS A 39 16.072 4.997 3.109 1.00 1.35 H new ATOM 0 HG3 LYS A 39 15.384 6.423 2.359 1.00 1.35 H new ATOM 0 HD2 LYS A 39 16.799 7.913 3.650 1.00 2.02 H new ATOM 0 HD3 LYS A 39 17.277 6.632 4.745 1.00 2.02 H new ATOM 0 HE2 LYS A 39 18.323 5.473 2.657 1.00 2.54 H new ATOM 0 HE3 LYS A 39 18.113 7.011 1.844 1.00 2.54 H new ATOM 0 HZ1 LYS A 39 20.171 7.312 2.681 1.00 3.59 H new ATOM 0 HZ2 LYS A 39 19.297 7.870 4.026 1.00 3.59 H new ATOM 0 HZ3 LYS A 39 19.924 6.292 4.016 1.00 3.59 H new ATOM 618 N GLU A 40 15.706 3.607 5.832 1.00 0.83 N ATOM 619 CA GLU A 40 16.769 2.622 5.975 1.00 0.88 C ATOM 620 C GLU A 40 16.238 1.252 6.413 1.00 1.01 C ATOM 621 O GLU A 40 16.876 0.229 6.165 1.00 1.33 O ATOM 622 CB GLU A 40 17.912 3.191 6.826 1.00 1.06 C ATOM 623 CG GLU A 40 18.305 4.553 6.225 1.00 0.97 C ATOM 624 CD GLU A 40 19.743 4.978 6.470 1.00 1.66 C ATOM 625 OE1 GLU A 40 20.365 4.450 7.413 1.00 2.34 O ATOM 626 OE2 GLU A 40 20.185 5.837 5.672 1.00 2.37 O ATOM 0 H GLU A 40 15.659 4.292 6.586 1.00 0.83 H new ATOM 0 HA GLU A 40 17.206 2.419 4.997 1.00 0.88 H new ATOM 0 HB2 GLU A 40 17.597 3.307 7.863 1.00 1.06 H new ATOM 0 HB3 GLU A 40 18.765 2.512 6.826 1.00 1.06 H new ATOM 0 HG2 GLU A 40 18.131 4.521 5.149 1.00 0.97 H new ATOM 0 HG3 GLU A 40 17.643 5.317 6.633 1.00 0.97 H new ATOM 633 N LEU A 41 15.038 1.212 6.994 1.00 0.85 N ATOM 634 CA LEU A 41 14.306 -0.023 7.221 1.00 0.89 C ATOM 635 C LEU A 41 13.772 -0.580 5.892 1.00 0.82 C ATOM 636 O LEU A 41 14.144 -1.688 5.515 1.00 0.91 O ATOM 637 CB LEU A 41 13.211 0.202 8.277 1.00 0.98 C ATOM 638 CG LEU A 41 13.668 -0.071 9.724 1.00 1.28 C ATOM 639 CD1 LEU A 41 13.721 -1.575 10.023 1.00 2.44 C ATOM 640 CD2 LEU A 41 15.013 0.566 10.103 1.00 2.59 C ATOM 0 H LEU A 41 14.548 2.045 7.321 1.00 0.85 H new ATOM 0 HA LEU A 41 14.974 -0.785 7.623 1.00 0.89 H new ATOM 0 HB2 LEU A 41 12.859 1.231 8.206 1.00 0.98 H new ATOM 0 HB3 LEU A 41 12.362 -0.442 8.048 1.00 0.98 H new ATOM 0 HG LEU A 41 12.908 0.410 10.339 1.00 1.28 H new ATOM 0 HD11 LEU A 41 14.047 -1.730 11.051 1.00 2.44 H new ATOM 0 HD12 LEU A 41 12.730 -2.008 9.887 1.00 2.44 H new ATOM 0 HD13 LEU A 41 14.424 -2.057 9.343 1.00 2.44 H new ATOM 0 HD21 LEU A 41 15.253 0.321 11.138 1.00 2.59 H new ATOM 0 HD22 LEU A 41 15.795 0.182 9.448 1.00 2.59 H new ATOM 0 HD23 LEU A 41 14.947 1.648 9.993 1.00 2.59 H new ATOM 652 N VAL A 42 12.938 0.154 5.146 1.00 0.75 N ATOM 653 CA VAL A 42 12.315 -0.372 3.931 1.00 0.72 C ATOM 654 C VAL A 42 13.368 -0.891 2.947 1.00 0.69 C ATOM 655 O VAL A 42 13.245 -2.012 2.464 1.00 0.76 O ATOM 656 CB VAL A 42 11.279 0.581 3.291 1.00 0.73 C ATOM 657 CG1 VAL A 42 10.150 0.901 4.278 1.00 1.59 C ATOM 658 CG2 VAL A 42 11.875 1.868 2.704 1.00 1.40 C ATOM 0 H VAL A 42 12.680 1.116 5.365 1.00 0.75 H new ATOM 0 HA VAL A 42 11.717 -1.231 4.236 1.00 0.72 H new ATOM 0 HB VAL A 42 10.872 0.037 2.438 1.00 0.73 H new ATOM 0 HG11 VAL A 42 9.433 1.573 3.806 1.00 1.59 H new ATOM 0 HG12 VAL A 42 9.647 -0.022 4.567 1.00 1.59 H new ATOM 0 HG13 VAL A 42 10.566 1.380 5.164 1.00 1.59 H new ATOM 0 HG21 VAL A 42 11.078 2.476 2.277 1.00 1.40 H new ATOM 0 HG22 VAL A 42 12.377 2.429 3.492 1.00 1.40 H new ATOM 0 HG23 VAL A 42 12.594 1.614 1.926 1.00 1.40 H new ATOM 668 N THR A 43 14.445 -0.146 2.681 1.00 0.66 N ATOM 669 CA THR A 43 15.478 -0.658 1.777 1.00 0.72 C ATOM 670 C THR A 43 16.027 -2.015 2.262 1.00 0.80 C ATOM 671 O THR A 43 16.310 -2.900 1.457 1.00 0.95 O ATOM 672 CB THR A 43 16.570 0.402 1.550 1.00 0.78 C ATOM 673 OG1 THR A 43 17.404 0.054 0.464 1.00 1.37 O ATOM 674 CG2 THR A 43 17.450 0.605 2.782 1.00 1.00 C ATOM 0 H THR A 43 14.622 0.783 3.064 1.00 0.66 H new ATOM 0 HA THR A 43 15.030 -0.855 0.803 1.00 0.72 H new ATOM 0 HB THR A 43 16.041 1.331 1.335 1.00 0.78 H new ATOM 0 HG1 THR A 43 18.087 0.746 0.342 1.00 1.37 H new ATOM 0 HG21 THR A 43 18.204 1.363 2.570 1.00 1.00 H new ATOM 0 HG22 THR A 43 16.834 0.931 3.620 1.00 1.00 H new ATOM 0 HG23 THR A 43 17.941 -0.334 3.037 1.00 1.00 H new ATOM 682 N GLN A 44 16.134 -2.196 3.584 1.00 0.78 N ATOM 683 CA GLN A 44 16.642 -3.408 4.207 1.00 0.87 C ATOM 684 C GLN A 44 15.595 -4.530 4.174 1.00 0.95 C ATOM 685 O GLN A 44 15.953 -5.692 4.015 1.00 1.17 O ATOM 686 CB GLN A 44 17.079 -3.057 5.634 1.00 0.94 C ATOM 687 CG GLN A 44 17.918 -4.151 6.303 1.00 1.60 C ATOM 688 CD GLN A 44 18.225 -3.838 7.767 1.00 2.06 C ATOM 689 OE1 GLN A 44 18.210 -2.567 8.163 1.00 3.14 O flip ATOM 690 NE2 GLN A 44 18.470 -4.746 8.554 1.00 2.61 N flip ATOM 0 H GLN A 44 15.861 -1.482 4.260 1.00 0.78 H new ATOM 0 HA GLN A 44 17.500 -3.789 3.654 1.00 0.87 H new ATOM 0 HB2 GLN A 44 17.654 -2.131 5.612 1.00 0.94 H new ATOM 0 HB3 GLN A 44 16.193 -2.867 6.240 1.00 0.94 H new ATOM 0 HG2 GLN A 44 17.387 -5.101 6.241 1.00 1.60 H new ATOM 0 HG3 GLN A 44 18.853 -4.273 5.757 1.00 1.60 H new ATOM 0 HE21 GLN A 44 18.477 -5.713 8.231 1.00 2.61 H new ATOM 0 HE22 GLN A 44 18.667 -4.534 9.532 1.00 2.61 H new ATOM 699 N GLN A 45 14.310 -4.197 4.333 1.00 0.87 N ATOM 700 CA GLN A 45 13.213 -5.152 4.201 1.00 0.92 C ATOM 701 C GLN A 45 13.095 -5.663 2.771 1.00 0.98 C ATOM 702 O GLN A 45 12.698 -6.812 2.570 1.00 1.13 O ATOM 703 CB GLN A 45 11.865 -4.506 4.540 1.00 0.82 C ATOM 704 CG GLN A 45 11.451 -4.605 6.004 1.00 0.92 C ATOM 705 CD GLN A 45 12.343 -3.826 6.958 1.00 1.09 C ATOM 706 OE1 GLN A 45 11.960 -2.758 7.418 1.00 2.29 O ATOM 707 NE2 GLN A 45 13.516 -4.356 7.292 1.00 1.47 N ATOM 0 H GLN A 45 14.003 -3.251 4.558 1.00 0.87 H new ATOM 0 HA GLN A 45 13.439 -5.965 4.891 1.00 0.92 H new ATOM 0 HB2 GLN A 45 11.903 -3.453 4.260 1.00 0.82 H new ATOM 0 HB3 GLN A 45 11.092 -4.971 3.928 1.00 0.82 H new ATOM 0 HG2 GLN A 45 10.427 -4.245 6.106 1.00 0.92 H new ATOM 0 HG3 GLN A 45 11.451 -5.654 6.300 1.00 0.92 H new ATOM 0 HE21 GLN A 45 13.806 -5.248 6.891 1.00 1.47 H new ATOM 0 HE22 GLN A 45 14.126 -3.871 7.950 1.00 1.47 H new ATOM 716 N LEU A 46 13.341 -4.767 1.809 1.00 0.93 N ATOM 717 CA LEU A 46 13.016 -4.946 0.405 1.00 1.04 C ATOM 718 C LEU A 46 14.295 -4.873 -0.456 1.00 1.00 C ATOM 719 O LEU A 46 14.377 -4.037 -1.359 1.00 1.39 O ATOM 720 CB LEU A 46 12.027 -3.818 0.018 1.00 1.40 C ATOM 721 CG LEU A 46 10.932 -3.467 1.053 1.00 1.92 C ATOM 722 CD1 LEU A 46 10.218 -2.188 0.633 1.00 1.37 C ATOM 723 CD2 LEU A 46 9.875 -4.527 1.280 1.00 3.59 C ATOM 0 H LEU A 46 13.787 -3.870 2.001 1.00 0.93 H new ATOM 0 HA LEU A 46 12.566 -5.923 0.232 1.00 1.04 H new ATOM 0 HB2 LEU A 46 12.603 -2.916 -0.186 1.00 1.40 H new ATOM 0 HB3 LEU A 46 11.536 -4.101 -0.913 1.00 1.40 H new ATOM 0 HG LEU A 46 11.475 -3.363 1.993 1.00 1.92 H new ATOM 0 HD11 LEU A 46 9.448 -1.944 1.365 1.00 1.37 H new ATOM 0 HD12 LEU A 46 10.937 -1.371 0.578 1.00 1.37 H new ATOM 0 HD13 LEU A 46 9.758 -2.333 -0.344 1.00 1.37 H new ATOM 0 HD21 LEU A 46 9.160 -4.175 2.024 1.00 3.59 H new ATOM 0 HD22 LEU A 46 9.355 -4.729 0.344 1.00 3.59 H new ATOM 0 HD23 LEU A 46 10.348 -5.442 1.636 1.00 3.59 H new ATOM 735 N PRO A 47 15.311 -5.729 -0.233 1.00 0.92 N ATOM 736 CA PRO A 47 16.611 -5.563 -0.862 1.00 1.22 C ATOM 737 C PRO A 47 16.614 -6.186 -2.261 1.00 1.08 C ATOM 738 O PRO A 47 17.346 -7.142 -2.524 1.00 1.10 O ATOM 739 CB PRO A 47 17.594 -6.244 0.095 1.00 1.67 C ATOM 740 CG PRO A 47 16.768 -7.416 0.618 1.00 1.60 C ATOM 741 CD PRO A 47 15.370 -6.811 0.739 1.00 1.10 C ATOM 0 HA PRO A 47 16.882 -4.519 -1.018 1.00 1.22 H new ATOM 0 HB2 PRO A 47 18.497 -6.577 -0.417 1.00 1.67 H new ATOM 0 HB3 PRO A 47 17.910 -5.577 0.897 1.00 1.67 H new ATOM 0 HG2 PRO A 47 16.785 -8.262 -0.069 1.00 1.60 H new ATOM 0 HG3 PRO A 47 17.138 -7.776 1.578 1.00 1.60 H new ATOM 0 HD2 PRO A 47 14.603 -7.559 0.536 1.00 1.10 H new ATOM 0 HD3 PRO A 47 15.193 -6.438 1.748 1.00 1.10 H new ATOM 749 N HIS A 48 15.807 -5.626 -3.169 1.00 1.29 N ATOM 750 CA HIS A 48 15.877 -5.962 -4.585 1.00 1.41 C ATOM 751 C HIS A 48 17.048 -5.176 -5.208 1.00 1.58 C ATOM 752 O HIS A 48 18.043 -4.908 -4.540 1.00 2.77 O ATOM 753 CB HIS A 48 14.506 -5.722 -5.248 1.00 1.59 C ATOM 754 CG HIS A 48 14.249 -6.638 -6.424 1.00 2.10 C ATOM 755 ND1 HIS A 48 14.115 -8.006 -6.348 1.00 2.77 N ATOM 756 CD2 HIS A 48 14.225 -6.303 -7.752 1.00 3.05 C ATOM 757 CE1 HIS A 48 14.089 -8.482 -7.604 1.00 3.80 C ATOM 758 NE2 HIS A 48 14.138 -7.480 -8.497 1.00 3.89 N ATOM 0 H HIS A 48 15.094 -4.933 -2.940 1.00 1.29 H new ATOM 0 HA HIS A 48 16.087 -7.019 -4.748 1.00 1.41 H new ATOM 0 HB2 HIS A 48 13.720 -5.863 -4.506 1.00 1.59 H new ATOM 0 HB3 HIS A 48 14.446 -4.686 -5.582 1.00 1.59 H new ATOM 0 HD1 HIS A 48 14.048 -8.558 -5.493 1.00 2.77 H new ATOM 0 HD2 HIS A 48 14.266 -5.301 -8.153 1.00 3.05 H new ATOM 0 HE1 HIS A 48 14.036 -9.530 -7.861 1.00 3.80 H new ATOM 766 N LEU A 49 16.958 -4.778 -6.481 1.00 1.33 N ATOM 767 CA LEU A 49 18.058 -4.095 -7.160 1.00 1.31 C ATOM 768 C LEU A 49 18.323 -2.687 -6.604 1.00 1.27 C ATOM 769 O LEU A 49 19.481 -2.296 -6.515 1.00 1.38 O ATOM 770 CB LEU A 49 17.816 -4.054 -8.680 1.00 1.45 C ATOM 771 CG LEU A 49 18.338 -5.280 -9.454 1.00 1.45 C ATOM 772 CD1 LEU A 49 19.871 -5.316 -9.511 1.00 2.40 C ATOM 773 CD2 LEU A 49 17.802 -6.608 -8.909 1.00 2.83 C ATOM 0 H LEU A 49 16.131 -4.919 -7.061 1.00 1.33 H new ATOM 0 HA LEU A 49 18.959 -4.676 -6.963 1.00 1.31 H new ATOM 0 HB2 LEU A 49 16.745 -3.958 -8.860 1.00 1.45 H new ATOM 0 HB3 LEU A 49 18.289 -3.159 -9.084 1.00 1.45 H new ATOM 0 HG LEU A 49 17.955 -5.163 -10.468 1.00 1.45 H new ATOM 0 HD11 LEU A 49 20.194 -6.197 -10.066 1.00 2.40 H new ATOM 0 HD12 LEU A 49 20.238 -4.419 -10.009 1.00 2.40 H new ATOM 0 HD13 LEU A 49 20.272 -5.358 -8.498 1.00 2.40 H new ATOM 0 HD21 LEU A 49 18.206 -7.432 -9.497 1.00 2.83 H new ATOM 0 HD22 LEU A 49 18.104 -6.722 -7.868 1.00 2.83 H new ATOM 0 HD23 LEU A 49 16.714 -6.615 -8.974 1.00 2.83 H new ATOM 785 N LEU A 50 17.268 -1.920 -6.293 1.00 1.26 N ATOM 786 CA LEU A 50 17.353 -0.495 -5.960 1.00 1.39 C ATOM 787 C LEU A 50 17.929 0.253 -7.167 1.00 1.40 C ATOM 788 O LEU A 50 19.066 0.715 -7.185 1.00 1.69 O ATOM 789 CB LEU A 50 18.102 -0.216 -4.641 1.00 1.74 C ATOM 790 CG LEU A 50 17.306 -0.489 -3.350 1.00 1.92 C ATOM 791 CD1 LEU A 50 16.108 0.457 -3.188 1.00 2.83 C ATOM 792 CD2 LEU A 50 16.850 -1.946 -3.210 1.00 2.14 C ATOM 0 H LEU A 50 16.315 -2.282 -6.266 1.00 1.26 H new ATOM 0 HA LEU A 50 16.350 -0.117 -5.761 1.00 1.39 H new ATOM 0 HB2 LEU A 50 19.007 -0.823 -4.623 1.00 1.74 H new ATOM 0 HB3 LEU A 50 18.418 0.827 -4.638 1.00 1.74 H new ATOM 0 HG LEU A 50 18.012 -0.292 -2.544 1.00 1.92 H new ATOM 0 HD11 LEU A 50 15.581 0.222 -2.263 1.00 2.83 H new ATOM 0 HD12 LEU A 50 16.460 1.488 -3.153 1.00 2.83 H new ATOM 0 HD13 LEU A 50 15.430 0.334 -4.033 1.00 2.83 H new ATOM 0 HD21 LEU A 50 16.296 -2.066 -2.279 1.00 2.14 H new ATOM 0 HD22 LEU A 50 16.208 -2.209 -4.051 1.00 2.14 H new ATOM 0 HD23 LEU A 50 17.721 -2.601 -3.200 1.00 2.14 H new ATOM 804 N LYS A 51 17.108 0.296 -8.221 1.00 1.21 N ATOM 805 CA LYS A 51 17.427 0.901 -9.503 1.00 1.30 C ATOM 806 C LYS A 51 17.242 2.421 -9.457 1.00 1.33 C ATOM 807 O LYS A 51 17.907 3.148 -10.190 1.00 1.52 O ATOM 808 CB LYS A 51 16.563 0.234 -10.584 1.00 1.25 C ATOM 809 CG LYS A 51 15.075 0.590 -10.451 1.00 1.19 C ATOM 810 CD LYS A 51 14.736 1.844 -11.280 1.00 1.42 C ATOM 811 CE LYS A 51 14.310 1.486 -12.707 1.00 1.63 C ATOM 812 NZ LYS A 51 14.155 2.697 -13.540 1.00 3.05 N ATOM 0 H LYS A 51 16.171 -0.106 -8.196 1.00 1.21 H new ATOM 0 HA LYS A 51 18.477 0.736 -9.746 1.00 1.30 H new ATOM 0 HB2 LYS A 51 16.919 0.538 -11.568 1.00 1.25 H new ATOM 0 HB3 LYS A 51 16.681 -0.848 -10.523 1.00 1.25 H new ATOM 0 HG2 LYS A 51 14.465 -0.249 -10.786 1.00 1.19 H new ATOM 0 HG3 LYS A 51 14.830 0.764 -9.403 1.00 1.19 H new ATOM 0 HD2 LYS A 51 13.935 2.398 -10.790 1.00 1.42 H new ATOM 0 HD3 LYS A 51 15.604 2.502 -11.314 1.00 1.42 H new ATOM 0 HE2 LYS A 51 15.052 0.826 -13.156 1.00 1.63 H new ATOM 0 HE3 LYS A 51 13.369 0.937 -12.681 1.00 1.63 H new ATOM 0 HZ1 LYS A 51 13.866 2.423 -14.501 1.00 3.05 H new ATOM 0 HZ2 LYS A 51 13.429 3.315 -13.123 1.00 3.05 H new ATOM 0 HZ3 LYS A 51 15.060 3.207 -13.583 1.00 3.05 H new ATOM 826 N ASP A 52 16.273 2.867 -8.650 1.00 1.24 N ATOM 827 CA ASP A 52 16.125 4.216 -8.140 1.00 1.41 C ATOM 828 C ASP A 52 15.934 5.265 -9.233 1.00 1.32 C ATOM 829 O ASP A 52 16.869 5.947 -9.645 1.00 1.86 O ATOM 830 CB ASP A 52 17.280 4.526 -7.189 1.00 2.26 C ATOM 831 CG ASP A 52 17.291 3.600 -5.966 1.00 2.58 C ATOM 832 OD1 ASP A 52 16.528 2.602 -5.977 1.00 2.57 O ATOM 833 OD2 ASP A 52 18.050 3.916 -5.026 1.00 3.65 O ATOM 0 H ASP A 52 15.530 2.250 -8.321 1.00 1.24 H new ATOM 0 HA ASP A 52 15.194 4.268 -7.575 1.00 1.41 H new ATOM 0 HB2 ASP A 52 18.225 4.429 -7.724 1.00 2.26 H new ATOM 0 HB3 ASP A 52 17.207 5.562 -6.857 1.00 2.26 H new ATOM 838 N VAL A 53 14.683 5.417 -9.676 1.00 0.97 N ATOM 839 CA VAL A 53 14.294 6.469 -10.605 1.00 1.24 C ATOM 840 C VAL A 53 13.999 7.757 -9.830 1.00 0.99 C ATOM 841 O VAL A 53 13.987 7.737 -8.606 1.00 2.18 O ATOM 842 CB VAL A 53 13.121 5.962 -11.467 1.00 2.54 C ATOM 843 CG1 VAL A 53 11.761 6.073 -10.770 1.00 3.70 C ATOM 844 CG2 VAL A 53 13.053 6.628 -12.848 1.00 3.13 C ATOM 0 H VAL A 53 13.913 4.809 -9.397 1.00 0.97 H new ATOM 0 HA VAL A 53 15.102 6.717 -11.293 1.00 1.24 H new ATOM 0 HB VAL A 53 13.338 4.904 -11.612 1.00 2.54 H new ATOM 0 HG11 VAL A 53 10.981 5.699 -11.433 1.00 3.70 H new ATOM 0 HG12 VAL A 53 11.772 5.483 -9.854 1.00 3.70 H new ATOM 0 HG13 VAL A 53 11.561 7.117 -10.527 1.00 3.70 H new ATOM 0 HG21 VAL A 53 12.206 6.227 -13.404 1.00 3.13 H new ATOM 0 HG22 VAL A 53 12.931 7.704 -12.727 1.00 3.13 H new ATOM 0 HG23 VAL A 53 13.974 6.426 -13.395 1.00 3.13 H new ATOM 854 N GLY A 54 13.716 8.869 -10.514 1.00 1.00 N ATOM 855 CA GLY A 54 13.463 10.177 -9.903 1.00 1.45 C ATOM 856 C GLY A 54 12.495 10.173 -8.708 1.00 1.17 C ATOM 857 O GLY A 54 12.588 11.030 -7.838 1.00 1.24 O ATOM 0 H GLY A 54 13.655 8.885 -11.532 1.00 1.00 H new ATOM 0 HA2 GLY A 54 14.415 10.596 -9.576 1.00 1.45 H new ATOM 0 HA3 GLY A 54 13.066 10.845 -10.667 1.00 1.45 H new ATOM 861 N SER A 55 11.577 9.207 -8.637 1.00 1.03 N ATOM 862 CA SER A 55 10.677 9.073 -7.496 1.00 0.92 C ATOM 863 C SER A 55 11.473 8.789 -6.219 1.00 0.75 C ATOM 864 O SER A 55 11.168 9.327 -5.153 1.00 0.78 O ATOM 865 CB SER A 55 9.646 7.975 -7.773 1.00 1.10 C ATOM 866 OG SER A 55 8.520 8.525 -8.428 1.00 1.33 O ATOM 0 H SER A 55 11.439 8.503 -9.362 1.00 1.03 H new ATOM 0 HA SER A 55 10.141 10.010 -7.347 1.00 0.92 H new ATOM 0 HB2 SER A 55 10.091 7.194 -8.390 1.00 1.10 H new ATOM 0 HB3 SER A 55 9.340 7.507 -6.837 1.00 1.10 H new ATOM 0 HG SER A 55 7.859 8.806 -7.762 1.00 1.33 H new ATOM 872 N LEU A 56 12.526 7.977 -6.338 1.00 0.68 N ATOM 873 CA LEU A 56 13.477 7.778 -5.267 1.00 0.75 C ATOM 874 C LEU A 56 14.015 9.129 -4.857 1.00 0.82 C ATOM 875 O LEU A 56 13.921 9.466 -3.686 1.00 0.79 O ATOM 876 CB LEU A 56 14.606 6.837 -5.693 1.00 1.04 C ATOM 877 CG LEU A 56 15.661 6.574 -4.610 1.00 1.86 C ATOM 878 CD1 LEU A 56 16.716 7.676 -4.441 1.00 1.75 C ATOM 879 CD2 LEU A 56 15.073 6.148 -3.261 1.00 3.20 C ATOM 0 H LEU A 56 12.734 7.444 -7.183 1.00 0.68 H new ATOM 0 HA LEU A 56 12.982 7.305 -4.419 1.00 0.75 H new ATOM 0 HB2 LEU A 56 14.172 5.885 -5.998 1.00 1.04 H new ATOM 0 HB3 LEU A 56 15.100 7.257 -6.569 1.00 1.04 H new ATOM 0 HG LEU A 56 16.200 5.715 -5.010 1.00 1.86 H new ATOM 0 HD11 LEU A 56 17.414 7.394 -3.652 1.00 1.75 H new ATOM 0 HD12 LEU A 56 17.259 7.806 -5.377 1.00 1.75 H new ATOM 0 HD13 LEU A 56 16.225 8.612 -4.174 1.00 1.75 H new ATOM 0 HD21 LEU A 56 15.881 5.981 -2.548 1.00 3.20 H new ATOM 0 HD22 LEU A 56 14.415 6.933 -2.887 1.00 3.20 H new ATOM 0 HD23 LEU A 56 14.504 5.227 -3.387 1.00 3.20 H new ATOM 891 N ASP A 57 14.555 9.892 -5.811 1.00 1.07 N ATOM 892 CA ASP A 57 15.152 11.189 -5.521 1.00 1.39 C ATOM 893 C ASP A 57 14.169 12.091 -4.755 1.00 1.37 C ATOM 894 O ASP A 57 14.467 12.532 -3.646 1.00 1.45 O ATOM 895 CB ASP A 57 15.667 11.839 -6.812 1.00 1.73 C ATOM 896 CG ASP A 57 16.137 13.265 -6.574 1.00 2.31 C ATOM 897 OD1 ASP A 57 16.802 13.502 -5.548 1.00 3.26 O ATOM 898 OD2 ASP A 57 15.777 14.133 -7.398 1.00 2.67 O ATOM 0 H ASP A 57 14.589 9.628 -6.796 1.00 1.07 H new ATOM 0 HA ASP A 57 16.012 11.045 -4.867 1.00 1.39 H new ATOM 0 HB2 ASP A 57 16.489 11.247 -7.215 1.00 1.73 H new ATOM 0 HB3 ASP A 57 14.876 11.837 -7.561 1.00 1.73 H new ATOM 903 N GLU A 58 12.969 12.314 -5.308 1.00 1.35 N ATOM 904 CA GLU A 58 11.861 12.992 -4.625 1.00 1.48 C ATOM 905 C GLU A 58 11.723 12.531 -3.172 1.00 1.30 C ATOM 906 O GLU A 58 11.677 13.348 -2.249 1.00 1.49 O ATOM 907 CB GLU A 58 10.563 12.839 -5.428 1.00 1.58 C ATOM 908 CG GLU A 58 10.638 13.595 -6.768 1.00 2.39 C ATOM 909 CD GLU A 58 10.840 15.095 -6.581 1.00 3.67 C ATOM 910 OE1 GLU A 58 9.839 15.766 -6.262 1.00 3.76 O ATOM 911 OE2 GLU A 58 12.003 15.541 -6.722 1.00 5.28 O ATOM 0 H GLU A 58 12.738 12.023 -6.258 1.00 1.35 H new ATOM 0 HA GLU A 58 12.085 14.058 -4.576 1.00 1.48 H new ATOM 0 HB2 GLU A 58 10.372 11.782 -5.615 1.00 1.58 H new ATOM 0 HB3 GLU A 58 9.725 13.216 -4.842 1.00 1.58 H new ATOM 0 HG2 GLU A 58 11.458 13.193 -7.363 1.00 2.39 H new ATOM 0 HG3 GLU A 58 9.721 13.422 -7.331 1.00 2.39 H new ATOM 918 N LYS A 59 11.696 11.219 -2.950 1.00 0.99 N ATOM 919 CA LYS A 59 11.596 10.675 -1.608 1.00 0.88 C ATOM 920 C LYS A 59 12.838 11.044 -0.785 1.00 0.91 C ATOM 921 O LYS A 59 12.720 11.542 0.330 1.00 0.97 O ATOM 922 CB LYS A 59 11.344 9.161 -1.699 1.00 0.75 C ATOM 923 CG LYS A 59 10.391 8.640 -0.616 1.00 0.78 C ATOM 924 CD LYS A 59 9.611 7.398 -1.079 1.00 0.70 C ATOM 925 CE LYS A 59 10.438 6.154 -1.419 1.00 0.68 C ATOM 926 NZ LYS A 59 11.144 6.280 -2.713 1.00 0.95 N ATOM 0 H LYS A 59 11.742 10.516 -3.687 1.00 0.99 H new ATOM 0 HA LYS A 59 10.750 11.113 -1.078 1.00 0.88 H new ATOM 0 HB2 LYS A 59 10.931 8.926 -2.680 1.00 0.75 H new ATOM 0 HB3 LYS A 59 12.296 8.636 -1.620 1.00 0.75 H new ATOM 0 HG2 LYS A 59 10.961 8.396 0.281 1.00 0.78 H new ATOM 0 HG3 LYS A 59 9.689 9.427 -0.343 1.00 0.78 H new ATOM 0 HD2 LYS A 59 8.901 7.131 -0.297 1.00 0.70 H new ATOM 0 HD3 LYS A 59 9.028 7.670 -1.959 1.00 0.70 H new ATOM 0 HE2 LYS A 59 11.166 5.978 -0.627 1.00 0.68 H new ATOM 0 HE3 LYS A 59 9.783 5.283 -1.449 1.00 0.68 H new ATOM 0 HZ1 LYS A 59 11.475 5.343 -3.020 1.00 0.95 H new ATOM 0 HZ2 LYS A 59 10.495 6.669 -3.426 1.00 0.95 H new ATOM 0 HZ3 LYS A 59 11.959 6.917 -2.603 1.00 0.95 H new ATOM 940 N MET A 60 14.032 10.826 -1.334 1.00 0.94 N ATOM 941 CA MET A 60 15.299 11.097 -0.683 1.00 1.07 C ATOM 942 C MET A 60 15.341 12.533 -0.179 1.00 1.24 C ATOM 943 O MET A 60 15.605 12.738 1.003 1.00 1.28 O ATOM 944 CB MET A 60 16.464 10.760 -1.620 1.00 1.21 C ATOM 945 CG MET A 60 17.825 10.980 -0.952 1.00 1.41 C ATOM 946 SD MET A 60 19.233 10.390 -1.927 1.00 2.17 S ATOM 947 CE MET A 60 20.591 10.882 -0.841 1.00 3.03 C ATOM 0 H MET A 60 14.140 10.444 -2.274 1.00 0.94 H new ATOM 0 HA MET A 60 15.402 10.454 0.191 1.00 1.07 H new ATOM 0 HB2 MET A 60 16.382 9.721 -1.940 1.00 1.21 H new ATOM 0 HB3 MET A 60 16.397 11.376 -2.517 1.00 1.21 H new ATOM 0 HG2 MET A 60 17.953 12.045 -0.756 1.00 1.41 H new ATOM 0 HG3 MET A 60 17.829 10.475 0.014 1.00 1.41 H new ATOM 0 HE1 MET A 60 21.540 10.592 -1.292 1.00 3.03 H new ATOM 0 HE2 MET A 60 20.571 11.963 -0.700 1.00 3.03 H new ATOM 0 HE3 MET A 60 20.482 10.388 0.124 1.00 3.03 H new ATOM 957 N LYS A 61 15.060 13.522 -1.036 1.00 1.39 N ATOM 958 CA LYS A 61 15.067 14.899 -0.544 1.00 1.63 C ATOM 959 C LYS A 61 13.938 15.121 0.467 1.00 1.49 C ATOM 960 O LYS A 61 14.143 15.792 1.476 1.00 1.51 O ATOM 961 CB LYS A 61 15.146 15.976 -1.638 1.00 2.08 C ATOM 962 CG LYS A 61 14.035 15.905 -2.688 1.00 1.98 C ATOM 963 CD LYS A 61 14.582 15.513 -4.066 1.00 2.80 C ATOM 964 CE LYS A 61 14.733 16.679 -5.050 1.00 2.87 C ATOM 965 NZ LYS A 61 14.537 16.225 -6.443 1.00 3.16 N ATOM 0 H LYS A 61 14.836 13.404 -2.024 1.00 1.39 H new ATOM 0 HA LYS A 61 16.010 15.030 -0.014 1.00 1.63 H new ATOM 0 HB2 LYS A 61 15.118 16.958 -1.165 1.00 2.08 H new ATOM 0 HB3 LYS A 61 16.109 15.893 -2.142 1.00 2.08 H new ATOM 0 HG2 LYS A 61 13.284 15.180 -2.375 1.00 1.98 H new ATOM 0 HG3 LYS A 61 13.536 16.872 -2.756 1.00 1.98 H new ATOM 0 HD2 LYS A 61 15.554 15.038 -3.934 1.00 2.80 H new ATOM 0 HD3 LYS A 61 13.920 14.767 -4.506 1.00 2.80 H new ATOM 0 HE2 LYS A 61 14.008 17.457 -4.812 1.00 2.87 H new ATOM 0 HE3 LYS A 61 15.723 17.123 -4.944 1.00 2.87 H new ATOM 0 HZ1 LYS A 61 14.560 17.045 -7.082 1.00 3.16 H new ATOM 0 HZ2 LYS A 61 15.296 15.563 -6.702 1.00 3.16 H new ATOM 0 HZ3 LYS A 61 13.617 15.747 -6.526 1.00 3.16 H new ATOM 979 N SER A 62 12.758 14.530 0.246 1.00 1.41 N ATOM 980 CA SER A 62 11.701 14.589 1.258 1.00 1.42 C ATOM 981 C SER A 62 12.196 14.115 2.636 1.00 1.35 C ATOM 982 O SER A 62 11.867 14.734 3.646 1.00 1.50 O ATOM 983 CB SER A 62 10.445 13.825 0.829 1.00 1.37 C ATOM 984 OG SER A 62 9.930 14.345 -0.380 1.00 2.15 O ATOM 0 H SER A 62 12.516 14.018 -0.602 1.00 1.41 H new ATOM 0 HA SER A 62 11.424 15.639 1.352 1.00 1.42 H new ATOM 0 HB2 SER A 62 10.681 12.768 0.704 1.00 1.37 H new ATOM 0 HB3 SER A 62 9.688 13.892 1.611 1.00 1.37 H new ATOM 0 HG SER A 62 10.470 14.022 -1.131 1.00 2.15 H new ATOM 990 N LEU A 63 12.988 13.037 2.695 1.00 1.19 N ATOM 991 CA LEU A 63 13.634 12.635 3.944 1.00 1.19 C ATOM 992 C LEU A 63 14.636 13.725 4.366 1.00 1.32 C ATOM 993 O LEU A 63 14.534 14.245 5.477 1.00 1.40 O ATOM 994 CB LEU A 63 14.252 11.222 3.857 1.00 1.11 C ATOM 995 CG LEU A 63 13.290 10.021 3.662 1.00 1.17 C ATOM 996 CD1 LEU A 63 11.831 10.317 3.272 1.00 1.38 C ATOM 997 CD2 LEU A 63 13.848 9.083 2.588 1.00 1.71 C ATOM 0 H LEU A 63 13.194 12.434 1.898 1.00 1.19 H new ATOM 0 HA LEU A 63 12.882 12.551 4.729 1.00 1.19 H new ATOM 0 HB2 LEU A 63 14.964 11.218 3.031 1.00 1.11 H new ATOM 0 HB3 LEU A 63 14.822 11.049 4.770 1.00 1.11 H new ATOM 0 HG LEU A 63 13.246 9.593 4.664 1.00 1.17 H new ATOM 0 HD11 LEU A 63 11.284 9.380 3.172 1.00 1.38 H new ATOM 0 HD12 LEU A 63 11.365 10.929 4.044 1.00 1.38 H new ATOM 0 HD13 LEU A 63 11.810 10.852 2.323 1.00 1.38 H new ATOM 0 HD21 LEU A 63 13.170 8.240 2.453 1.00 1.71 H new ATOM 0 HD22 LEU A 63 13.945 9.624 1.647 1.00 1.71 H new ATOM 0 HD23 LEU A 63 14.826 8.716 2.898 1.00 1.71 H new ATOM 1009 N ASP A 64 15.570 14.092 3.478 1.00 1.37 N ATOM 1010 CA ASP A 64 16.634 15.071 3.722 1.00 1.50 C ATOM 1011 C ASP A 64 16.148 16.312 4.478 1.00 1.60 C ATOM 1012 O ASP A 64 16.779 16.725 5.449 1.00 1.75 O ATOM 1013 CB ASP A 64 17.295 15.479 2.403 1.00 1.53 C ATOM 1014 CG ASP A 64 18.528 16.335 2.648 1.00 1.81 C ATOM 1015 OD1 ASP A 64 19.593 15.733 2.898 1.00 3.06 O ATOM 1016 OD2 ASP A 64 18.380 17.573 2.563 1.00 1.84 O ATOM 0 H ASP A 64 15.605 13.700 2.537 1.00 1.37 H new ATOM 0 HA ASP A 64 17.367 14.581 4.363 1.00 1.50 H new ATOM 0 HB2 ASP A 64 17.574 14.587 1.842 1.00 1.53 H new ATOM 0 HB3 ASP A 64 16.582 16.031 1.791 1.00 1.53 H new ATOM 1021 N VAL A 65 15.013 16.877 4.050 1.00 1.56 N ATOM 1022 CA VAL A 65 14.395 18.060 4.654 1.00 1.62 C ATOM 1023 C VAL A 65 14.335 17.962 6.180 1.00 1.72 C ATOM 1024 O VAL A 65 14.963 18.751 6.881 1.00 1.93 O ATOM 1025 CB VAL A 65 12.989 18.269 4.059 1.00 1.61 C ATOM 1026 CG1 VAL A 65 12.161 19.323 4.805 1.00 2.15 C ATOM 1027 CG2 VAL A 65 13.107 18.728 2.610 1.00 2.31 C ATOM 0 H VAL A 65 14.487 16.514 3.255 1.00 1.56 H new ATOM 0 HA VAL A 65 15.017 18.924 4.421 1.00 1.62 H new ATOM 0 HB VAL A 65 12.482 17.308 4.147 1.00 1.61 H new ATOM 0 HG11 VAL A 65 11.183 19.419 4.333 1.00 2.15 H new ATOM 0 HG12 VAL A 65 12.034 19.018 5.844 1.00 2.15 H new ATOM 0 HG13 VAL A 65 12.677 20.283 4.769 1.00 2.15 H new ATOM 0 HG21 VAL A 65 12.111 18.875 2.193 1.00 2.31 H new ATOM 0 HG22 VAL A 65 13.659 19.667 2.570 1.00 2.31 H new ATOM 0 HG23 VAL A 65 13.635 17.971 2.030 1.00 2.31 H new ATOM 1037 N ASN A 66 13.519 17.038 6.691 1.00 1.57 N ATOM 1038 CA ASN A 66 13.291 16.884 8.134 1.00 1.57 C ATOM 1039 C ASN A 66 12.985 15.433 8.495 1.00 1.42 C ATOM 1040 O ASN A 66 11.951 15.120 9.086 1.00 1.39 O ATOM 1041 CB ASN A 66 12.173 17.819 8.639 1.00 1.66 C ATOM 1042 CG ASN A 66 12.636 19.260 8.833 1.00 2.13 C ATOM 1043 OD1 ASN A 66 13.539 19.529 9.618 1.00 3.11 O ATOM 1044 ND2 ASN A 66 12.002 20.215 8.155 1.00 2.34 N ATOM 0 H ASN A 66 12.997 16.375 6.119 1.00 1.57 H new ATOM 0 HA ASN A 66 14.215 17.172 8.636 1.00 1.57 H new ATOM 0 HB2 ASN A 66 11.346 17.802 7.929 1.00 1.66 H new ATOM 0 HB3 ASN A 66 11.789 17.437 9.585 1.00 1.66 H new ATOM 0 HD21 ASN A 66 12.265 21.192 8.284 1.00 2.34 H new ATOM 0 HD22 ASN A 66 11.254 19.969 7.507 1.00 2.34 H new ATOM 1051 N GLN A 67 13.913 14.525 8.188 1.00 1.38 N ATOM 1052 CA GLN A 67 13.715 13.115 8.450 1.00 1.25 C ATOM 1053 C GLN A 67 13.575 12.766 9.927 1.00 1.42 C ATOM 1054 O GLN A 67 13.184 11.645 10.251 1.00 1.57 O ATOM 1055 CB GLN A 67 14.849 12.276 7.886 1.00 1.23 C ATOM 1056 CG GLN A 67 16.236 12.778 8.346 1.00 1.45 C ATOM 1057 CD GLN A 67 16.893 13.663 7.302 1.00 1.99 C ATOM 1058 OE1 GLN A 67 17.354 13.160 6.285 1.00 2.78 O ATOM 1059 NE2 GLN A 67 16.933 14.970 7.547 1.00 2.41 N ATOM 0 H GLN A 67 14.809 14.751 7.756 1.00 1.38 H new ATOM 0 HA GLN A 67 12.772 12.885 7.953 1.00 1.25 H new ATOM 0 HB2 GLN A 67 14.719 11.239 8.196 1.00 1.23 H new ATOM 0 HB3 GLN A 67 14.802 12.291 6.797 1.00 1.23 H new ATOM 0 HG2 GLN A 67 16.130 13.333 9.278 1.00 1.45 H new ATOM 0 HG3 GLN A 67 16.880 11.924 8.555 1.00 1.45 H new ATOM 0 HE21 GLN A 67 16.534 15.340 8.410 1.00 2.41 H new ATOM 0 HE22 GLN A 67 17.362 15.603 6.872 1.00 2.41 H new ATOM 1068 N ASP A 68 14.026 13.656 10.808 1.00 1.51 N ATOM 1069 CA ASP A 68 13.774 13.570 12.236 1.00 1.50 C ATOM 1070 C ASP A 68 12.311 13.206 12.476 1.00 1.59 C ATOM 1071 O ASP A 68 11.997 12.329 13.279 1.00 1.86 O ATOM 1072 CB ASP A 68 14.124 14.935 12.868 1.00 1.36 C ATOM 1073 CG ASP A 68 13.146 15.375 13.956 1.00 1.96 C ATOM 1074 OD1 ASP A 68 12.100 15.951 13.574 1.00 2.88 O ATOM 1075 OD2 ASP A 68 13.462 15.126 15.137 1.00 2.88 O ATOM 0 H ASP A 68 14.584 14.467 10.542 1.00 1.51 H new ATOM 0 HA ASP A 68 14.388 12.795 12.694 1.00 1.50 H new ATOM 0 HB2 ASP A 68 15.127 14.883 13.292 1.00 1.36 H new ATOM 0 HB3 ASP A 68 14.148 15.693 12.085 1.00 1.36 H new ATOM 1080 N SER A 69 11.430 13.904 11.765 1.00 1.50 N ATOM 1081 CA SER A 69 10.020 13.872 12.051 1.00 1.55 C ATOM 1082 C SER A 69 9.408 12.545 11.595 1.00 1.59 C ATOM 1083 O SER A 69 10.083 11.704 10.992 1.00 2.74 O ATOM 1084 CB SER A 69 9.391 15.107 11.410 1.00 1.67 C ATOM 1085 OG SER A 69 10.154 16.260 11.739 1.00 3.09 O ATOM 0 H SER A 69 11.684 14.503 10.979 1.00 1.50 H new ATOM 0 HA SER A 69 9.823 13.914 13.122 1.00 1.55 H new ATOM 0 HB2 SER A 69 9.348 14.985 10.328 1.00 1.67 H new ATOM 0 HB3 SER A 69 8.365 15.227 11.758 1.00 1.67 H new ATOM 0 HG SER A 69 10.653 16.097 12.566 1.00 3.09 H new ATOM 1091 N GLU A 70 8.129 12.342 11.923 1.00 0.89 N ATOM 1092 CA GLU A 70 7.505 11.033 11.835 1.00 0.86 C ATOM 1093 C GLU A 70 6.578 10.874 10.643 1.00 0.85 C ATOM 1094 O GLU A 70 5.967 11.819 10.128 1.00 1.09 O ATOM 1095 CB GLU A 70 6.791 10.693 13.145 1.00 0.96 C ATOM 1096 CG GLU A 70 7.853 10.427 14.216 1.00 2.14 C ATOM 1097 CD GLU A 70 7.243 10.112 15.568 1.00 2.81 C ATOM 1098 OE1 GLU A 70 6.106 10.561 15.839 1.00 2.88 O ATOM 1099 OE2 GLU A 70 7.824 9.288 16.308 1.00 3.98 O ATOM 0 H GLU A 70 7.507 13.079 12.254 1.00 0.89 H new ATOM 0 HA GLU A 70 8.311 10.318 11.671 1.00 0.86 H new ATOM 0 HB2 GLU A 70 6.143 11.515 13.449 1.00 0.96 H new ATOM 0 HB3 GLU A 70 6.155 9.817 13.015 1.00 0.96 H new ATOM 0 HG2 GLU A 70 8.482 9.594 13.901 1.00 2.14 H new ATOM 0 HG3 GLU A 70 8.500 11.299 14.307 1.00 2.14 H new ATOM 1106 N LEU A 71 6.467 9.614 10.238 1.00 0.85 N ATOM 1107 CA LEU A 71 5.479 9.159 9.287 1.00 0.86 C ATOM 1108 C LEU A 71 4.187 8.826 10.025 1.00 0.87 C ATOM 1109 O LEU A 71 4.114 8.841 11.251 1.00 1.17 O ATOM 1110 CB LEU A 71 6.004 7.939 8.519 1.00 1.14 C ATOM 1111 CG LEU A 71 7.260 8.231 7.691 1.00 1.26 C ATOM 1112 CD1 LEU A 71 7.642 6.951 6.954 1.00 1.97 C ATOM 1113 CD2 LEU A 71 7.050 9.325 6.642 1.00 2.54 C ATOM 0 H LEU A 71 7.078 8.870 10.573 1.00 0.85 H new ATOM 0 HA LEU A 71 5.277 9.948 8.562 1.00 0.86 H new ATOM 0 HB2 LEU A 71 6.223 7.140 9.228 1.00 1.14 H new ATOM 0 HB3 LEU A 71 5.220 7.571 7.857 1.00 1.14 H new ATOM 0 HG LEU A 71 8.033 8.575 8.378 1.00 1.26 H new ATOM 0 HD11 LEU A 71 8.535 7.129 6.355 1.00 1.97 H new ATOM 0 HD12 LEU A 71 7.842 6.161 7.677 1.00 1.97 H new ATOM 0 HD13 LEU A 71 6.822 6.648 6.303 1.00 1.97 H new ATOM 0 HD21 LEU A 71 7.977 9.483 6.091 1.00 2.54 H new ATOM 0 HD22 LEU A 71 6.264 9.020 5.951 1.00 2.54 H new ATOM 0 HD23 LEU A 71 6.759 10.252 7.136 1.00 2.54 H new ATOM 1125 N LYS A 72 3.164 8.516 9.236 1.00 0.76 N ATOM 1126 CA LYS A 72 1.847 8.081 9.641 1.00 0.82 C ATOM 1127 C LYS A 72 1.495 6.994 8.627 1.00 0.68 C ATOM 1128 O LYS A 72 2.109 6.972 7.560 1.00 0.63 O ATOM 1129 CB LYS A 72 0.842 9.249 9.574 1.00 1.03 C ATOM 1130 CG LYS A 72 1.349 10.570 10.185 1.00 1.57 C ATOM 1131 CD LYS A 72 2.110 11.428 9.155 1.00 2.54 C ATOM 1132 CE LYS A 72 2.792 12.655 9.773 1.00 3.20 C ATOM 1133 NZ LYS A 72 3.917 13.116 8.929 1.00 4.44 N ATOM 0 H LYS A 72 3.248 8.569 8.221 1.00 0.76 H new ATOM 0 HA LYS A 72 1.816 7.720 10.669 1.00 0.82 H new ATOM 0 HB2 LYS A 72 0.578 9.424 8.531 1.00 1.03 H new ATOM 0 HB3 LYS A 72 -0.072 8.954 10.089 1.00 1.03 H new ATOM 0 HG2 LYS A 72 0.504 11.137 10.575 1.00 1.57 H new ATOM 0 HG3 LYS A 72 2.003 10.352 11.029 1.00 1.57 H new ATOM 0 HD2 LYS A 72 2.863 10.811 8.664 1.00 2.54 H new ATOM 0 HD3 LYS A 72 1.415 11.758 8.383 1.00 2.54 H new ATOM 0 HE2 LYS A 72 2.066 13.460 9.889 1.00 3.20 H new ATOM 0 HE3 LYS A 72 3.157 12.409 10.770 1.00 3.20 H new ATOM 0 HZ1 LYS A 72 4.187 14.081 9.207 1.00 4.44 H new ATOM 0 HZ2 LYS A 72 4.729 12.479 9.055 1.00 4.44 H new ATOM 0 HZ3 LYS A 72 3.626 13.112 7.931 1.00 4.44 H new ATOM 1147 N PHE A 73 0.534 6.118 8.916 1.00 0.74 N ATOM 1148 CA PHE A 73 0.106 5.065 7.993 1.00 0.74 C ATOM 1149 C PHE A 73 -0.094 5.604 6.570 1.00 0.60 C ATOM 1150 O PHE A 73 0.370 5.012 5.597 1.00 0.54 O ATOM 1151 CB PHE A 73 -1.157 4.365 8.527 1.00 0.97 C ATOM 1152 CG PHE A 73 -2.120 5.272 9.272 1.00 1.16 C ATOM 1153 CD1 PHE A 73 -2.938 6.179 8.572 1.00 2.25 C ATOM 1154 CD2 PHE A 73 -2.032 5.358 10.675 1.00 2.25 C ATOM 1155 CE1 PHE A 73 -3.509 7.273 9.248 1.00 2.93 C ATOM 1156 CE2 PHE A 73 -2.676 6.402 11.358 1.00 2.98 C ATOM 1157 CZ PHE A 73 -3.375 7.385 10.641 1.00 2.96 C ATOM 0 H PHE A 73 0.027 6.118 9.801 1.00 0.74 H new ATOM 0 HA PHE A 73 0.901 4.322 7.933 1.00 0.74 H new ATOM 0 HB2 PHE A 73 -1.684 3.908 7.689 1.00 0.97 H new ATOM 0 HB3 PHE A 73 -0.854 3.556 9.192 1.00 0.97 H new ATOM 0 HD1 PHE A 73 -3.127 6.035 7.518 1.00 2.25 H new ATOM 0 HD2 PHE A 73 -1.468 4.620 11.226 1.00 2.25 H new ATOM 0 HE1 PHE A 73 -4.050 8.027 8.695 1.00 2.93 H new ATOM 0 HE2 PHE A 73 -2.633 6.449 12.436 1.00 2.98 H new ATOM 0 HZ PHE A 73 -3.809 8.227 11.160 1.00 2.96 H new ATOM 1167 N ASN A 74 -0.759 6.752 6.452 1.00 0.67 N ATOM 1168 CA ASN A 74 -1.039 7.390 5.173 1.00 0.70 C ATOM 1169 C ASN A 74 0.250 7.818 4.461 1.00 0.62 C ATOM 1170 O ASN A 74 0.381 7.653 3.249 1.00 0.68 O ATOM 1171 CB ASN A 74 -1.950 8.595 5.414 1.00 0.90 C ATOM 1172 CG ASN A 74 -2.395 9.229 4.103 1.00 2.04 C ATOM 1173 OD1 ASN A 74 -1.945 10.310 3.741 1.00 2.92 O ATOM 1174 ND2 ASN A 74 -3.327 8.583 3.413 1.00 3.40 N ATOM 0 H ASN A 74 -1.122 7.269 7.253 1.00 0.67 H new ATOM 0 HA ASN A 74 -1.538 6.673 4.521 1.00 0.70 H new ATOM 0 HB2 ASN A 74 -2.825 8.283 5.984 1.00 0.90 H new ATOM 0 HB3 ASN A 74 -1.424 9.335 6.017 1.00 0.90 H new ATOM 0 HD21 ASN A 74 -3.693 8.985 2.550 1.00 3.40 H new ATOM 0 HD22 ASN A 74 -3.677 7.685 3.746 1.00 3.40 H new ATOM 1181 N GLU A 75 1.194 8.370 5.233 1.00 0.60 N ATOM 1182 CA GLU A 75 2.470 8.890 4.759 1.00 0.69 C ATOM 1183 C GLU A 75 3.321 7.726 4.249 1.00 0.56 C ATOM 1184 O GLU A 75 3.802 7.724 3.115 1.00 0.59 O ATOM 1185 CB GLU A 75 3.171 9.619 5.917 1.00 0.94 C ATOM 1186 CG GLU A 75 4.043 10.790 5.457 1.00 1.82 C ATOM 1187 CD GLU A 75 3.233 12.067 5.352 1.00 2.18 C ATOM 1188 OE1 GLU A 75 3.174 12.763 6.395 1.00 3.15 O ATOM 1189 OE2 GLU A 75 2.691 12.302 4.249 1.00 2.88 O ATOM 0 H GLU A 75 1.080 8.468 6.242 1.00 0.60 H new ATOM 0 HA GLU A 75 2.320 9.596 3.942 1.00 0.69 H new ATOM 0 HB2 GLU A 75 2.418 9.988 6.614 1.00 0.94 H new ATOM 0 HB3 GLU A 75 3.790 8.907 6.464 1.00 0.94 H new ATOM 0 HG2 GLU A 75 4.864 10.934 6.159 1.00 1.82 H new ATOM 0 HG3 GLU A 75 4.488 10.558 4.489 1.00 1.82 H new ATOM 1196 N TYR A 76 3.463 6.712 5.108 1.00 0.49 N ATOM 1197 CA TYR A 76 4.021 5.420 4.762 1.00 0.46 C ATOM 1198 C TYR A 76 3.441 4.992 3.419 1.00 0.42 C ATOM 1199 O TYR A 76 4.203 4.724 2.494 1.00 0.43 O ATOM 1200 CB TYR A 76 3.718 4.425 5.893 1.00 0.53 C ATOM 1201 CG TYR A 76 3.841 2.955 5.539 1.00 0.78 C ATOM 1202 CD1 TYR A 76 2.780 2.308 4.878 1.00 2.18 C ATOM 1203 CD2 TYR A 76 4.939 2.199 5.990 1.00 1.57 C ATOM 1204 CE1 TYR A 76 2.877 0.950 4.555 1.00 2.50 C ATOM 1205 CE2 TYR A 76 4.980 0.811 5.764 1.00 1.65 C ATOM 1206 CZ TYR A 76 3.946 0.188 5.042 1.00 1.56 C ATOM 1207 OH TYR A 76 3.942 -1.157 4.840 1.00 2.04 O ATOM 0 H TYR A 76 3.183 6.778 6.087 1.00 0.49 H new ATOM 0 HA TYR A 76 5.105 5.462 4.656 1.00 0.46 H new ATOM 0 HB2 TYR A 76 4.391 4.635 6.724 1.00 0.53 H new ATOM 0 HB3 TYR A 76 2.704 4.609 6.249 1.00 0.53 H new ATOM 0 HD1 TYR A 76 1.889 2.861 4.620 1.00 2.18 H new ATOM 0 HD2 TYR A 76 5.751 2.685 6.510 1.00 1.57 H new ATOM 0 HE1 TYR A 76 2.127 0.489 3.930 1.00 2.50 H new ATOM 0 HE2 TYR A 76 5.804 0.225 6.144 1.00 1.65 H new ATOM 0 HH TYR A 76 3.465 -1.362 4.009 1.00 2.04 H new ATOM 1217 N TRP A 77 2.107 4.971 3.305 1.00 0.45 N ATOM 1218 CA TRP A 77 1.441 4.488 2.110 1.00 0.47 C ATOM 1219 C TRP A 77 2.006 5.127 0.845 1.00 0.49 C ATOM 1220 O TRP A 77 2.710 4.462 0.092 1.00 0.50 O ATOM 1221 CB TRP A 77 -0.080 4.640 2.211 1.00 0.49 C ATOM 1222 CG TRP A 77 -0.761 3.371 1.902 1.00 0.47 C ATOM 1223 CD1 TRP A 77 -1.080 3.002 0.656 1.00 0.46 C ATOM 1224 CD2 TRP A 77 -1.278 2.340 2.785 1.00 0.50 C ATOM 1225 NE1 TRP A 77 -1.677 1.770 0.683 1.00 0.48 N ATOM 1226 CE2 TRP A 77 -1.894 1.344 1.973 1.00 0.50 C ATOM 1227 CE3 TRP A 77 -1.373 2.183 4.181 1.00 0.54 C ATOM 1228 CZ2 TRP A 77 -2.570 0.249 2.518 1.00 0.55 C ATOM 1229 CZ3 TRP A 77 -2.062 1.088 4.725 1.00 0.58 C ATOM 1230 CH2 TRP A 77 -2.632 0.114 3.908 1.00 0.59 C ATOM 0 H TRP A 77 1.472 5.288 4.038 1.00 0.45 H new ATOM 0 HA TRP A 77 1.646 3.420 2.034 1.00 0.47 H new ATOM 0 HB2 TRP A 77 -0.350 4.966 3.215 1.00 0.49 H new ATOM 0 HB3 TRP A 77 -0.418 5.415 1.523 1.00 0.49 H new ATOM 0 HD1 TRP A 77 -0.895 3.586 -0.234 1.00 0.46 H new ATOM 0 HE1 TRP A 77 -1.929 1.236 -0.148 1.00 0.48 H new ATOM 0 HE3 TRP A 77 -0.914 2.908 4.836 1.00 0.54 H new ATOM 0 HZ2 TRP A 77 -3.038 -0.482 1.875 1.00 0.55 H new ATOM 0 HZ3 TRP A 77 -2.152 0.999 5.798 1.00 0.58 H new ATOM 0 HH2 TRP A 77 -3.121 -0.743 4.347 1.00 0.59 H new ATOM 1241 N ARG A 78 1.708 6.405 0.605 1.00 0.54 N ATOM 1242 CA ARG A 78 2.234 7.137 -0.542 1.00 0.61 C ATOM 1243 C ARG A 78 3.744 6.893 -0.749 1.00 0.59 C ATOM 1244 O ARG A 78 4.160 6.612 -1.872 1.00 0.64 O ATOM 1245 CB ARG A 78 1.858 8.628 -0.431 1.00 0.74 C ATOM 1246 CG ARG A 78 2.272 9.294 0.891 1.00 1.50 C ATOM 1247 CD ARG A 78 1.483 10.581 1.160 1.00 1.89 C ATOM 1248 NE ARG A 78 1.883 11.657 0.239 1.00 2.15 N ATOM 1249 CZ ARG A 78 2.627 12.743 0.528 1.00 2.98 C ATOM 1250 NH1 ARG A 78 3.025 13.037 1.772 1.00 3.90 N ATOM 1251 NH2 ARG A 78 2.986 13.562 -0.467 1.00 3.93 N ATOM 0 H ARG A 78 1.095 6.959 1.202 1.00 0.54 H new ATOM 0 HA ARG A 78 1.766 6.752 -1.448 1.00 0.61 H new ATOM 0 HB2 ARG A 78 2.321 9.169 -1.256 1.00 0.74 H new ATOM 0 HB3 ARG A 78 0.779 8.727 -0.551 1.00 0.74 H new ATOM 0 HG2 ARG A 78 2.116 8.595 1.713 1.00 1.50 H new ATOM 0 HG3 ARG A 78 3.338 9.522 0.864 1.00 1.50 H new ATOM 0 HD2 ARG A 78 0.416 10.385 1.052 1.00 1.89 H new ATOM 0 HD3 ARG A 78 1.646 10.901 2.189 1.00 1.89 H new ATOM 0 HE ARG A 78 1.561 11.571 -0.725 1.00 2.15 H new ATOM 0 HH11 ARG A 78 2.766 12.428 2.548 1.00 3.90 H new ATOM 0 HH12 ARG A 78 3.588 13.870 1.944 1.00 3.90 H new ATOM 0 HH21 ARG A 78 2.697 13.359 -1.424 1.00 3.93 H new ATOM 0 HH22 ARG A 78 3.549 14.389 -0.269 1.00 3.93 H new ATOM 1265 N LEU A 79 4.571 6.944 0.307 1.00 0.56 N ATOM 1266 CA LEU A 79 6.007 6.689 0.155 1.00 0.55 C ATOM 1267 C LEU A 79 6.294 5.285 -0.404 1.00 0.52 C ATOM 1268 O LEU A 79 7.048 5.170 -1.375 1.00 0.54 O ATOM 1269 CB LEU A 79 6.784 6.938 1.459 1.00 0.58 C ATOM 1270 CG LEU A 79 7.237 8.394 1.699 1.00 0.65 C ATOM 1271 CD1 LEU A 79 6.161 9.462 1.468 1.00 0.79 C ATOM 1272 CD2 LEU A 79 7.768 8.529 3.130 1.00 0.86 C ATOM 0 H LEU A 79 4.274 7.156 1.259 1.00 0.56 H new ATOM 0 HA LEU A 79 6.366 7.410 -0.580 1.00 0.55 H new ATOM 0 HB2 LEU A 79 6.160 6.628 2.297 1.00 0.58 H new ATOM 0 HB3 LEU A 79 7.666 6.297 1.463 1.00 0.58 H new ATOM 0 HG LEU A 79 8.008 8.583 0.952 1.00 0.65 H new ATOM 0 HD11 LEU A 79 6.580 10.449 1.663 1.00 0.79 H new ATOM 0 HD12 LEU A 79 5.815 9.412 0.436 1.00 0.79 H new ATOM 0 HD13 LEU A 79 5.322 9.285 2.141 1.00 0.79 H new ATOM 0 HD21 LEU A 79 8.089 9.556 3.304 1.00 0.86 H new ATOM 0 HD22 LEU A 79 6.979 8.271 3.837 1.00 0.86 H new ATOM 0 HD23 LEU A 79 8.614 7.856 3.269 1.00 0.86 H new ATOM 1284 N ILE A 80 5.736 4.206 0.168 1.00 0.50 N ATOM 1285 CA ILE A 80 5.957 2.882 -0.425 1.00 0.50 C ATOM 1286 C ILE A 80 5.291 2.809 -1.805 1.00 0.53 C ATOM 1287 O ILE A 80 5.751 2.069 -2.662 1.00 0.54 O ATOM 1288 CB ILE A 80 5.623 1.668 0.480 1.00 0.48 C ATOM 1289 CG1 ILE A 80 4.153 1.254 0.382 1.00 0.56 C ATOM 1290 CG2 ILE A 80 5.989 1.918 1.935 1.00 0.48 C ATOM 1291 CD1 ILE A 80 3.743 -0.012 1.143 1.00 0.53 C ATOM 0 H ILE A 80 5.153 4.221 1.005 1.00 0.50 H new ATOM 0 HA ILE A 80 7.036 2.785 -0.544 1.00 0.50 H new ATOM 0 HB ILE A 80 6.235 0.847 0.105 1.00 0.48 H new ATOM 0 HG12 ILE A 80 3.542 2.081 0.743 1.00 0.56 H new ATOM 0 HG13 ILE A 80 3.909 1.113 -0.671 1.00 0.56 H new ATOM 0 HG21 ILE A 80 5.737 1.040 2.530 1.00 0.48 H new ATOM 0 HG22 ILE A 80 7.058 2.114 2.013 1.00 0.48 H new ATOM 0 HG23 ILE A 80 5.435 2.780 2.307 1.00 0.48 H new ATOM 0 HD11 ILE A 80 2.679 -0.198 0.994 1.00 0.53 H new ATOM 0 HD12 ILE A 80 4.315 -0.862 0.771 1.00 0.53 H new ATOM 0 HD13 ILE A 80 3.943 0.122 2.206 1.00 0.53 H new ATOM 1303 N GLY A 81 4.227 3.579 -2.039 1.00 0.57 N ATOM 1304 CA GLY A 81 3.630 3.770 -3.352 1.00 0.62 C ATOM 1305 C GLY A 81 4.670 4.200 -4.383 1.00 0.57 C ATOM 1306 O GLY A 81 4.692 3.681 -5.501 1.00 0.69 O ATOM 0 H GLY A 81 3.749 4.097 -1.301 1.00 0.57 H new ATOM 0 HA2 GLY A 81 3.157 2.843 -3.676 1.00 0.62 H new ATOM 0 HA3 GLY A 81 2.845 4.524 -3.290 1.00 0.62 H new ATOM 1310 N GLU A 82 5.529 5.154 -4.023 1.00 0.50 N ATOM 1311 CA GLU A 82 6.663 5.527 -4.854 1.00 0.46 C ATOM 1312 C GLU A 82 7.702 4.391 -4.875 1.00 0.49 C ATOM 1313 O GLU A 82 8.157 3.988 -5.941 1.00 0.57 O ATOM 1314 CB GLU A 82 7.240 6.873 -4.393 1.00 0.50 C ATOM 1315 CG GLU A 82 6.240 8.042 -4.467 1.00 0.72 C ATOM 1316 CD GLU A 82 5.695 8.306 -5.866 1.00 2.41 C ATOM 1317 OE1 GLU A 82 6.499 8.434 -6.818 1.00 3.63 O ATOM 1318 OE2 GLU A 82 4.455 8.344 -6.012 1.00 3.57 O ATOM 0 H GLU A 82 5.456 5.683 -3.154 1.00 0.50 H new ATOM 0 HA GLU A 82 6.337 5.668 -5.885 1.00 0.46 H new ATOM 0 HB2 GLU A 82 7.591 6.773 -3.366 1.00 0.50 H new ATOM 0 HB3 GLU A 82 8.109 7.113 -5.005 1.00 0.50 H new ATOM 0 HG2 GLU A 82 5.406 7.836 -3.797 1.00 0.72 H new ATOM 0 HG3 GLU A 82 6.727 8.946 -4.101 1.00 0.72 H new ATOM 1325 N LEU A 83 8.060 3.802 -3.731 1.00 0.54 N ATOM 1326 CA LEU A 83 9.054 2.730 -3.713 1.00 0.65 C ATOM 1327 C LEU A 83 8.694 1.571 -4.667 1.00 0.71 C ATOM 1328 O LEU A 83 9.517 1.131 -5.475 1.00 0.74 O ATOM 1329 CB LEU A 83 9.240 2.246 -2.276 1.00 0.79 C ATOM 1330 CG LEU A 83 10.613 1.605 -2.060 1.00 1.09 C ATOM 1331 CD1 LEU A 83 11.718 2.643 -1.834 1.00 2.56 C ATOM 1332 CD2 LEU A 83 10.510 0.751 -0.807 1.00 1.89 C ATOM 0 H LEU A 83 7.681 4.047 -2.816 1.00 0.54 H new ATOM 0 HA LEU A 83 9.998 3.129 -4.083 1.00 0.65 H new ATOM 0 HB2 LEU A 83 9.121 3.086 -1.592 1.00 0.79 H new ATOM 0 HB3 LEU A 83 8.461 1.524 -2.033 1.00 0.79 H new ATOM 0 HG LEU A 83 10.874 1.033 -2.950 1.00 1.09 H new ATOM 0 HD11 LEU A 83 12.671 2.134 -1.686 1.00 2.56 H new ATOM 0 HD12 LEU A 83 11.787 3.296 -2.704 1.00 2.56 H new ATOM 0 HD13 LEU A 83 11.484 3.238 -0.951 1.00 2.56 H new ATOM 0 HD21 LEU A 83 11.470 0.272 -0.613 1.00 1.89 H new ATOM 0 HD22 LEU A 83 10.240 1.380 0.041 1.00 1.89 H new ATOM 0 HD23 LEU A 83 9.746 -0.013 -0.949 1.00 1.89 H new ATOM 1344 N ALA A 84 7.443 1.096 -4.600 1.00 0.78 N ATOM 1345 CA ALA A 84 6.872 0.107 -5.498 1.00 0.93 C ATOM 1346 C ALA A 84 7.124 0.440 -6.971 1.00 0.93 C ATOM 1347 O ALA A 84 7.357 -0.481 -7.757 1.00 1.12 O ATOM 1348 CB ALA A 84 5.367 -0.012 -5.227 1.00 0.99 C ATOM 0 H ALA A 84 6.783 1.408 -3.888 1.00 0.78 H new ATOM 0 HA ALA A 84 7.364 -0.846 -5.304 1.00 0.93 H new ATOM 0 HB1 ALA A 84 4.934 -0.753 -5.899 1.00 0.99 H new ATOM 0 HB2 ALA A 84 5.207 -0.321 -4.194 1.00 0.99 H new ATOM 0 HB3 ALA A 84 4.890 0.953 -5.396 1.00 0.99 H new ATOM 1354 N LYS A 85 7.051 1.733 -7.312 1.00 0.84 N ATOM 1355 CA LYS A 85 7.195 2.317 -8.641 1.00 0.88 C ATOM 1356 C LYS A 85 8.660 2.285 -9.068 1.00 0.83 C ATOM 1357 O LYS A 85 8.974 1.850 -10.174 1.00 1.06 O ATOM 1358 CB LYS A 85 6.676 3.765 -8.543 1.00 1.09 C ATOM 1359 CG LYS A 85 6.360 4.615 -9.780 1.00 1.02 C ATOM 1360 CD LYS A 85 6.447 6.056 -9.236 1.00 1.41 C ATOM 1361 CE LYS A 85 5.772 7.170 -10.036 1.00 1.95 C ATOM 1362 NZ LYS A 85 6.004 8.463 -9.355 1.00 2.92 N ATOM 0 H LYS A 85 6.876 2.449 -6.607 1.00 0.84 H new ATOM 0 HA LYS A 85 6.631 1.759 -9.389 1.00 0.88 H new ATOM 0 HB2 LYS A 85 5.763 3.729 -7.949 1.00 1.09 H new ATOM 0 HB3 LYS A 85 7.412 4.321 -7.963 1.00 1.09 H new ATOM 0 HG2 LYS A 85 7.076 4.442 -10.583 1.00 1.02 H new ATOM 0 HG3 LYS A 85 5.371 4.393 -10.181 1.00 1.02 H new ATOM 0 HD2 LYS A 85 6.020 6.060 -8.233 1.00 1.41 H new ATOM 0 HD3 LYS A 85 7.502 6.311 -9.134 1.00 1.41 H new ATOM 0 HE2 LYS A 85 6.173 7.201 -11.049 1.00 1.95 H new ATOM 0 HE3 LYS A 85 4.703 6.977 -10.122 1.00 1.95 H new ATOM 0 HZ1 LYS A 85 5.477 9.213 -9.846 1.00 2.92 H new ATOM 0 HZ2 LYS A 85 5.678 8.400 -8.369 1.00 2.92 H new ATOM 0 HZ3 LYS A 85 7.020 8.686 -9.370 1.00 2.92 H new ATOM 1376 N GLU A 86 9.541 2.767 -8.187 1.00 0.62 N ATOM 1377 CA GLU A 86 10.977 2.837 -8.410 1.00 0.58 C ATOM 1378 C GLU A 86 11.494 1.465 -8.846 1.00 0.63 C ATOM 1379 O GLU A 86 11.983 1.310 -9.967 1.00 0.72 O ATOM 1380 CB GLU A 86 11.644 3.366 -7.131 1.00 0.60 C ATOM 1381 CG GLU A 86 11.269 4.844 -6.926 1.00 0.85 C ATOM 1382 CD GLU A 86 11.184 5.254 -5.463 1.00 1.12 C ATOM 1383 OE1 GLU A 86 11.982 4.770 -4.633 1.00 1.95 O ATOM 1384 OE2 GLU A 86 10.319 6.094 -5.135 1.00 2.31 O ATOM 0 H GLU A 86 9.261 3.128 -7.275 1.00 0.62 H new ATOM 0 HA GLU A 86 11.224 3.528 -9.216 1.00 0.58 H new ATOM 0 HB2 GLU A 86 11.324 2.777 -6.272 1.00 0.60 H new ATOM 0 HB3 GLU A 86 12.727 3.262 -7.204 1.00 0.60 H new ATOM 0 HG2 GLU A 86 12.007 5.470 -7.428 1.00 0.85 H new ATOM 0 HG3 GLU A 86 10.309 5.036 -7.405 1.00 0.85 H new ATOM 1391 N ILE A 87 11.343 0.449 -7.996 1.00 0.60 N ATOM 1392 CA ILE A 87 11.716 -0.906 -8.378 1.00 0.69 C ATOM 1393 C ILE A 87 10.575 -1.521 -9.192 1.00 0.70 C ATOM 1394 O ILE A 87 9.703 -2.214 -8.669 1.00 0.73 O ATOM 1395 CB ILE A 87 12.203 -1.703 -7.144 1.00 0.78 C ATOM 1396 CG1 ILE A 87 13.717 -1.455 -7.005 1.00 1.85 C ATOM 1397 CG2 ILE A 87 11.943 -3.219 -7.170 1.00 2.06 C ATOM 1398 CD1 ILE A 87 14.530 -2.294 -8.005 1.00 1.81 C ATOM 0 H ILE A 87 10.970 0.540 -7.051 1.00 0.60 H new ATOM 0 HA ILE A 87 12.580 -0.923 -9.042 1.00 0.69 H new ATOM 0 HB ILE A 87 11.619 -1.341 -6.297 1.00 0.78 H new ATOM 0 HG12 ILE A 87 13.928 -0.397 -7.163 1.00 1.85 H new ATOM 0 HG13 ILE A 87 14.032 -1.695 -5.989 1.00 1.85 H new ATOM 0 HG21 ILE A 87 12.327 -3.670 -6.255 1.00 2.06 H new ATOM 0 HG22 ILE A 87 10.871 -3.403 -7.243 1.00 2.06 H new ATOM 0 HG23 ILE A 87 12.446 -3.660 -8.030 1.00 2.06 H new ATOM 0 HD11 ILE A 87 15.592 -2.089 -7.873 1.00 1.81 H new ATOM 0 HD12 ILE A 87 14.341 -3.353 -7.830 1.00 1.81 H new ATOM 0 HD13 ILE A 87 14.234 -2.036 -9.022 1.00 1.81 H new ATOM 1410 N ARG A 88 10.617 -1.310 -10.510 1.00 0.84 N ATOM 1411 CA ARG A 88 9.599 -1.816 -11.416 1.00 0.98 C ATOM 1412 C ARG A 88 9.911 -3.293 -11.659 1.00 1.02 C ATOM 1413 O ARG A 88 10.656 -3.643 -12.572 1.00 1.23 O ATOM 1414 CB ARG A 88 9.612 -1.018 -12.731 1.00 1.22 C ATOM 1415 CG ARG A 88 8.511 -1.507 -13.688 1.00 2.01 C ATOM 1416 CD ARG A 88 8.652 -0.885 -15.082 1.00 2.17 C ATOM 1417 NE ARG A 88 7.644 -1.445 -16.000 1.00 3.46 N ATOM 1418 CZ ARG A 88 7.605 -1.244 -17.328 1.00 4.07 C ATOM 1419 NH1 ARG A 88 8.507 -0.442 -17.907 1.00 3.54 N ATOM 1420 NH2 ARG A 88 6.667 -1.845 -18.069 1.00 5.57 N ATOM 0 H ARG A 88 11.359 -0.784 -10.972 1.00 0.84 H new ATOM 0 HA ARG A 88 8.602 -1.708 -10.989 1.00 0.98 H new ATOM 0 HB2 ARG A 88 9.469 0.041 -12.518 1.00 1.22 H new ATOM 0 HB3 ARG A 88 10.586 -1.118 -13.211 1.00 1.22 H new ATOM 0 HG2 ARG A 88 8.555 -2.593 -13.768 1.00 2.01 H new ATOM 0 HG3 ARG A 88 7.533 -1.257 -13.276 1.00 2.01 H new ATOM 0 HD2 ARG A 88 8.534 0.197 -15.018 1.00 2.17 H new ATOM 0 HD3 ARG A 88 9.652 -1.074 -15.472 1.00 2.17 H new ATOM 0 HE ARG A 88 6.916 -2.033 -15.594 1.00 3.46 H new ATOM 0 HH11 ARG A 88 9.222 0.015 -17.340 1.00 3.54 H new ATOM 0 HH12 ARG A 88 8.480 -0.288 -18.915 1.00 3.54 H new ATOM 0 HH21 ARG A 88 5.981 -2.456 -17.626 1.00 5.57 H new ATOM 0 HH22 ARG A 88 6.638 -1.692 -19.077 1.00 5.57 H new ATOM 1434 N LYS A 89 9.339 -4.143 -10.805 1.00 1.02 N ATOM 1435 CA LYS A 89 9.455 -5.591 -10.873 1.00 1.10 C ATOM 1436 C LYS A 89 9.188 -6.082 -12.303 1.00 1.42 C ATOM 1437 O LYS A 89 8.133 -5.793 -12.866 1.00 2.07 O ATOM 1438 CB LYS A 89 8.469 -6.239 -9.890 1.00 1.48 C ATOM 1439 CG LYS A 89 8.567 -5.695 -8.450 1.00 0.96 C ATOM 1440 CD LYS A 89 7.294 -4.911 -8.069 1.00 1.44 C ATOM 1441 CE LYS A 89 7.399 -4.224 -6.697 1.00 1.69 C ATOM 1442 NZ LYS A 89 8.111 -2.930 -6.756 1.00 3.05 N ATOM 0 H LYS A 89 8.765 -3.827 -10.023 1.00 1.02 H new ATOM 0 HA LYS A 89 10.469 -5.879 -10.596 1.00 1.10 H new ATOM 0 HB2 LYS A 89 7.454 -6.086 -10.256 1.00 1.48 H new ATOM 0 HB3 LYS A 89 8.643 -7.315 -9.873 1.00 1.48 H new ATOM 0 HG2 LYS A 89 8.712 -6.521 -7.754 1.00 0.96 H new ATOM 0 HG3 LYS A 89 9.439 -5.047 -8.361 1.00 0.96 H new ATOM 0 HD2 LYS A 89 7.096 -4.158 -8.832 1.00 1.44 H new ATOM 0 HD3 LYS A 89 6.443 -5.592 -8.064 1.00 1.44 H new ATOM 0 HE2 LYS A 89 6.397 -4.064 -6.298 1.00 1.69 H new ATOM 0 HE3 LYS A 89 7.916 -4.886 -6.003 1.00 1.69 H new ATOM 0 HZ1 LYS A 89 8.494 -2.701 -5.817 1.00 3.05 H new ATOM 0 HZ2 LYS A 89 8.890 -2.994 -7.442 1.00 3.05 H new ATOM 0 HZ3 LYS A 89 7.450 -2.183 -7.051 1.00 3.05 H new ATOM 1456 N LYS A 90 10.144 -6.800 -12.899 1.00 1.58 N ATOM 1457 CA LYS A 90 10.049 -7.223 -14.291 1.00 2.11 C ATOM 1458 C LYS A 90 8.982 -8.309 -14.473 1.00 2.02 C ATOM 1459 O LYS A 90 8.274 -8.314 -15.476 1.00 2.92 O ATOM 1460 CB LYS A 90 11.429 -7.691 -14.782 1.00 2.74 C ATOM 1461 CG LYS A 90 11.441 -7.940 -16.298 1.00 3.53 C ATOM 1462 CD LYS A 90 12.851 -8.319 -16.771 1.00 4.46 C ATOM 1463 CE LYS A 90 12.862 -8.556 -18.290 1.00 5.53 C ATOM 1464 NZ LYS A 90 14.203 -8.927 -18.790 1.00 6.60 N ATOM 0 H LYS A 90 10.999 -7.101 -12.430 1.00 1.58 H new ATOM 0 HA LYS A 90 9.736 -6.374 -14.898 1.00 2.11 H new ATOM 0 HB2 LYS A 90 12.178 -6.940 -14.531 1.00 2.74 H new ATOM 0 HB3 LYS A 90 11.709 -8.607 -14.261 1.00 2.74 H new ATOM 0 HG2 LYS A 90 10.741 -8.738 -16.547 1.00 3.53 H new ATOM 0 HG3 LYS A 90 11.104 -7.046 -16.822 1.00 3.53 H new ATOM 0 HD2 LYS A 90 13.553 -7.525 -16.515 1.00 4.46 H new ATOM 0 HD3 LYS A 90 13.185 -9.218 -16.254 1.00 4.46 H new ATOM 0 HE2 LYS A 90 12.153 -9.346 -18.537 1.00 5.53 H new ATOM 0 HE3 LYS A 90 12.524 -7.653 -18.799 1.00 5.53 H new ATOM 0 HZ1 LYS A 90 14.161 -9.077 -19.818 1.00 6.60 H new ATOM 0 HZ2 LYS A 90 14.876 -8.163 -18.579 1.00 6.60 H new ATOM 0 HZ3 LYS A 90 14.517 -9.803 -18.325 1.00 6.60 H new ATOM 1478 N LYS A 91 8.905 -9.249 -13.526 1.00 1.57 N ATOM 1479 CA LYS A 91 7.973 -10.371 -13.568 1.00 2.03 C ATOM 1480 C LYS A 91 7.800 -10.947 -12.163 1.00 2.11 C ATOM 1481 O LYS A 91 6.680 -11.062 -11.673 1.00 2.67 O ATOM 1482 CB LYS A 91 8.490 -11.451 -14.538 1.00 2.53 C ATOM 1483 CG LYS A 91 7.532 -12.650 -14.623 1.00 3.24 C ATOM 1484 CD LYS A 91 8.134 -13.774 -15.476 1.00 3.83 C ATOM 1485 CE LYS A 91 7.186 -14.983 -15.491 1.00 4.68 C ATOM 1486 NZ LYS A 91 7.764 -16.142 -16.204 1.00 5.43 N ATOM 0 H LYS A 91 9.500 -9.248 -12.697 1.00 1.57 H new ATOM 0 HA LYS A 91 7.004 -10.023 -13.927 1.00 2.03 H new ATOM 0 HB2 LYS A 91 8.618 -11.017 -15.530 1.00 2.53 H new ATOM 0 HB3 LYS A 91 9.472 -11.793 -14.211 1.00 2.53 H new ATOM 0 HG2 LYS A 91 7.320 -13.023 -13.621 1.00 3.24 H new ATOM 0 HG3 LYS A 91 6.582 -12.332 -15.052 1.00 3.24 H new ATOM 0 HD2 LYS A 91 8.303 -13.420 -16.493 1.00 3.83 H new ATOM 0 HD3 LYS A 91 9.105 -14.067 -15.075 1.00 3.83 H new ATOM 0 HE2 LYS A 91 6.951 -15.270 -14.466 1.00 4.68 H new ATOM 0 HE3 LYS A 91 6.247 -14.699 -15.966 1.00 4.68 H new ATOM 0 HZ1 LYS A 91 7.088 -16.932 -16.187 1.00 5.43 H new ATOM 0 HZ2 LYS A 91 7.964 -15.878 -17.190 1.00 5.43 H new ATOM 0 HZ3 LYS A 91 8.647 -16.432 -15.737 1.00 5.43 H new ATOM 1500 N ASP A 92 8.917 -11.343 -11.553 1.00 1.87 N ATOM 1501 CA ASP A 92 9.012 -12.036 -10.290 1.00 2.19 C ATOM 1502 C ASP A 92 10.220 -11.402 -9.616 1.00 1.75 C ATOM 1503 O ASP A 92 11.322 -11.438 -10.161 1.00 2.27 O ATOM 1504 CB ASP A 92 9.226 -13.535 -10.538 1.00 2.82 C ATOM 1505 CG ASP A 92 9.342 -14.324 -9.238 1.00 4.27 C ATOM 1506 OD1 ASP A 92 10.008 -13.820 -8.307 1.00 5.52 O ATOM 1507 OD2 ASP A 92 8.773 -15.433 -9.208 1.00 5.05 O ATOM 0 H ASP A 92 9.835 -11.172 -11.964 1.00 1.87 H new ATOM 0 HA ASP A 92 8.115 -11.953 -9.676 1.00 2.19 H new ATOM 0 HB2 ASP A 92 8.395 -13.926 -11.125 1.00 2.82 H new ATOM 0 HB3 ASP A 92 10.130 -13.678 -11.130 1.00 2.82 H new ATOM 1512 N LEU A 93 9.966 -10.710 -8.513 1.00 1.46 N ATOM 1513 CA LEU A 93 10.986 -10.138 -7.651 1.00 1.30 C ATOM 1514 C LEU A 93 11.568 -11.200 -6.704 1.00 1.19 C ATOM 1515 O LEU A 93 12.788 -11.293 -6.554 1.00 1.28 O ATOM 1516 CB LEU A 93 10.491 -8.855 -6.954 1.00 1.88 C ATOM 1517 CG LEU A 93 9.124 -8.920 -6.247 1.00 1.40 C ATOM 1518 CD1 LEU A 93 9.000 -7.778 -5.227 1.00 2.70 C ATOM 1519 CD2 LEU A 93 7.919 -8.947 -7.204 1.00 2.20 C ATOM 0 H LEU A 93 9.017 -10.527 -8.186 1.00 1.46 H new ATOM 0 HA LEU A 93 11.823 -9.810 -8.268 1.00 1.30 H new ATOM 0 HB2 LEU A 93 11.239 -8.561 -6.217 1.00 1.88 H new ATOM 0 HB3 LEU A 93 10.448 -8.061 -7.699 1.00 1.88 H new ATOM 0 HG LEU A 93 9.094 -9.878 -5.727 1.00 1.40 H new ATOM 0 HD11 LEU A 93 8.030 -7.834 -4.734 1.00 2.70 H new ATOM 0 HD12 LEU A 93 9.791 -7.868 -4.483 1.00 2.70 H new ATOM 0 HD13 LEU A 93 9.091 -6.821 -5.740 1.00 2.70 H new ATOM 0 HD21 LEU A 93 6.996 -8.993 -6.626 1.00 2.20 H new ATOM 0 HD22 LEU A 93 7.920 -8.045 -7.815 1.00 2.20 H new ATOM 0 HD23 LEU A 93 7.987 -9.823 -7.850 1.00 2.20 H new ATOM 1531 N LYS A 94 10.713 -12.043 -6.114 1.00 1.22 N ATOM 1532 CA LYS A 94 11.103 -13.024 -5.107 1.00 1.18 C ATOM 1533 C LYS A 94 12.217 -13.959 -5.570 1.00 1.23 C ATOM 1534 O LYS A 94 13.019 -14.408 -4.750 1.00 1.40 O ATOM 1535 CB LYS A 94 9.889 -13.836 -4.647 1.00 1.37 C ATOM 1536 CG LYS A 94 8.923 -12.986 -3.813 1.00 1.60 C ATOM 1537 CD LYS A 94 7.979 -13.924 -3.049 1.00 1.67 C ATOM 1538 CE LYS A 94 7.114 -13.161 -2.036 1.00 2.27 C ATOM 1539 NZ LYS A 94 5.671 -13.278 -2.299 1.00 2.53 N ATOM 0 H LYS A 94 9.716 -12.059 -6.329 1.00 1.22 H new ATOM 0 HA LYS A 94 11.503 -12.455 -4.268 1.00 1.18 H new ATOM 0 HB2 LYS A 94 9.366 -14.234 -5.517 1.00 1.37 H new ATOM 0 HB3 LYS A 94 10.224 -14.690 -4.058 1.00 1.37 H new ATOM 0 HG2 LYS A 94 9.477 -12.358 -3.116 1.00 1.60 H new ATOM 0 HG3 LYS A 94 8.352 -12.319 -4.459 1.00 1.60 H new ATOM 0 HD2 LYS A 94 7.335 -14.446 -3.756 1.00 1.67 H new ATOM 0 HD3 LYS A 94 8.563 -14.683 -2.529 1.00 1.67 H new ATOM 0 HE2 LYS A 94 7.325 -13.535 -1.034 1.00 2.27 H new ATOM 0 HE3 LYS A 94 7.395 -12.108 -2.049 1.00 2.27 H new ATOM 0 HZ1 LYS A 94 5.139 -12.983 -1.455 1.00 2.53 H new ATOM 0 HZ2 LYS A 94 5.414 -12.668 -3.101 1.00 2.53 H new ATOM 0 HZ3 LYS A 94 5.439 -14.266 -2.527 1.00 2.53 H new ATOM 1553 N ILE A 95 12.284 -14.244 -6.871 1.00 1.20 N ATOM 1554 CA ILE A 95 13.354 -15.021 -7.477 1.00 1.35 C ATOM 1555 C ILE A 95 14.760 -14.493 -7.134 1.00 1.42 C ATOM 1556 O ILE A 95 15.736 -15.244 -7.239 1.00 1.60 O ATOM 1557 CB ILE A 95 13.097 -15.087 -8.990 1.00 1.37 C ATOM 1558 CG1 ILE A 95 13.798 -16.297 -9.614 1.00 2.02 C ATOM 1559 CG2 ILE A 95 13.489 -13.771 -9.677 1.00 2.00 C ATOM 1560 CD1 ILE A 95 13.364 -16.482 -11.069 1.00 2.15 C ATOM 0 H ILE A 95 11.581 -13.933 -7.541 1.00 1.20 H new ATOM 0 HA ILE A 95 13.342 -16.028 -7.060 1.00 1.35 H new ATOM 0 HB ILE A 95 12.027 -15.221 -9.148 1.00 1.37 H new ATOM 0 HG12 ILE A 95 14.879 -16.162 -9.566 1.00 2.02 H new ATOM 0 HG13 ILE A 95 13.563 -17.195 -9.042 1.00 2.02 H new ATOM 0 HG21 ILE A 95 13.296 -13.848 -10.747 1.00 2.00 H new ATOM 0 HG22 ILE A 95 12.901 -12.954 -9.260 1.00 2.00 H new ATOM 0 HG23 ILE A 95 14.549 -13.576 -9.513 1.00 2.00 H new ATOM 0 HD11 ILE A 95 13.874 -17.347 -11.494 1.00 2.15 H new ATOM 0 HD12 ILE A 95 12.286 -16.640 -11.110 1.00 2.15 H new ATOM 0 HD13 ILE A 95 13.622 -15.591 -11.642 1.00 2.15 H new ATOM 1572 N ARG A 96 14.879 -13.217 -6.732 1.00 1.36 N ATOM 1573 CA ARG A 96 16.090 -12.571 -6.231 1.00 1.54 C ATOM 1574 C ARG A 96 17.074 -12.288 -7.370 1.00 1.79 C ATOM 1575 O ARG A 96 17.423 -11.140 -7.634 1.00 2.43 O ATOM 1576 CB ARG A 96 16.733 -13.389 -5.098 1.00 1.82 C ATOM 1577 CG ARG A 96 17.831 -12.582 -4.395 1.00 2.29 C ATOM 1578 CD ARG A 96 18.518 -13.450 -3.336 1.00 2.60 C ATOM 1579 NE ARG A 96 19.514 -12.673 -2.582 1.00 3.48 N ATOM 1580 CZ ARG A 96 20.215 -13.141 -1.537 1.00 4.79 C ATOM 1581 NH1 ARG A 96 20.011 -14.393 -1.111 1.00 5.63 N ATOM 1582 NH2 ARG A 96 21.104 -12.354 -0.920 1.00 5.91 N ATOM 0 H ARG A 96 14.084 -12.578 -6.751 1.00 1.36 H new ATOM 0 HA ARG A 96 15.807 -11.609 -5.804 1.00 1.54 H new ATOM 0 HB2 ARG A 96 15.970 -13.679 -4.375 1.00 1.82 H new ATOM 0 HB3 ARG A 96 17.155 -14.309 -5.503 1.00 1.82 H new ATOM 0 HG2 ARG A 96 18.563 -12.235 -5.124 1.00 2.29 H new ATOM 0 HG3 ARG A 96 17.401 -11.696 -3.928 1.00 2.29 H new ATOM 0 HD2 ARG A 96 17.772 -13.853 -2.651 1.00 2.60 H new ATOM 0 HD3 ARG A 96 19.002 -14.300 -3.816 1.00 2.60 H new ATOM 0 HE ARG A 96 19.684 -11.711 -2.874 1.00 3.48 H new ATOM 0 HH11 ARG A 96 19.326 -14.986 -1.580 1.00 5.63 H new ATOM 0 HH12 ARG A 96 20.540 -14.754 -0.318 1.00 5.63 H new ATOM 0 HH21 ARG A 96 21.250 -11.398 -1.244 1.00 5.91 H new ATOM 0 HH22 ARG A 96 21.636 -12.710 -0.126 1.00 5.91 H new ATOM 1596 N LYS A 97 17.561 -13.359 -7.995 1.00 1.84 N ATOM 1597 CA LYS A 97 18.612 -13.368 -9.005 1.00 2.16 C ATOM 1598 C LYS A 97 18.623 -14.676 -9.817 1.00 2.58 C ATOM 1599 O LYS A 97 19.305 -14.734 -10.840 1.00 3.26 O ATOM 1600 CB LYS A 97 19.971 -13.090 -8.333 1.00 2.38 C ATOM 1601 CG LYS A 97 21.091 -12.857 -9.357 1.00 2.94 C ATOM 1602 CD LYS A 97 22.347 -12.291 -8.683 1.00 3.82 C ATOM 1603 CE LYS A 97 23.452 -12.092 -9.732 1.00 4.57 C ATOM 1604 NZ LYS A 97 24.680 -11.511 -9.150 1.00 5.92 N ATOM 0 H LYS A 97 17.211 -14.296 -7.797 1.00 1.84 H new ATOM 0 HA LYS A 97 18.411 -12.574 -9.725 1.00 2.16 H new ATOM 0 HB2 LYS A 97 19.883 -12.215 -7.689 1.00 2.38 H new ATOM 0 HB3 LYS A 97 20.236 -13.932 -7.693 1.00 2.38 H new ATOM 0 HG2 LYS A 97 21.334 -13.796 -9.855 1.00 2.94 H new ATOM 0 HG3 LYS A 97 20.746 -12.167 -10.127 1.00 2.94 H new ATOM 0 HD2 LYS A 97 22.116 -11.342 -8.200 1.00 3.82 H new ATOM 0 HD3 LYS A 97 22.691 -12.971 -7.903 1.00 3.82 H new ATOM 0 HE2 LYS A 97 23.689 -13.051 -10.193 1.00 4.57 H new ATOM 0 HE3 LYS A 97 23.084 -11.440 -10.524 1.00 4.57 H new ATOM 0 HZ1 LYS A 97 25.396 -11.395 -9.895 1.00 5.92 H new ATOM 0 HZ2 LYS A 97 24.461 -10.584 -8.733 1.00 5.92 H new ATOM 0 HZ3 LYS A 97 25.048 -12.145 -8.412 1.00 5.92 H new ATOM 1618 N LYS A 98 17.977 -15.744 -9.328 1.00 2.60 N ATOM 1619 CA LYS A 98 17.946 -17.029 -10.010 1.00 3.14 C ATOM 1620 C LYS A 98 16.947 -16.978 -11.183 1.00 3.83 C ATOM 1621 O LYS A 98 16.676 -18.053 -11.761 1.00 4.53 O ATOM 1622 CB LYS A 98 17.632 -18.106 -8.955 1.00 4.20 C ATOM 1623 CG LYS A 98 17.615 -19.580 -9.399 1.00 4.96 C ATOM 1624 CD LYS A 98 18.902 -20.088 -10.075 1.00 5.28 C ATOM 1625 CE LYS A 98 18.858 -19.918 -11.605 1.00 5.24 C ATOM 1626 NZ LYS A 98 19.942 -20.641 -12.293 1.00 5.70 N ATOM 1627 OXT LYS A 98 16.482 -15.863 -11.504 1.00 4.78 O ATOM 0 H LYS A 98 17.463 -15.733 -8.447 1.00 2.60 H new ATOM 0 HA LYS A 98 18.905 -17.279 -10.464 1.00 3.14 H new ATOM 0 HB2 LYS A 98 18.364 -18.009 -8.153 1.00 4.20 H new ATOM 0 HB3 LYS A 98 16.657 -17.877 -8.526 1.00 4.20 H new ATOM 0 HG2 LYS A 98 17.416 -20.201 -8.526 1.00 4.96 H new ATOM 0 HG3 LYS A 98 16.783 -19.723 -10.089 1.00 4.96 H new ATOM 0 HD2 LYS A 98 19.759 -19.547 -9.675 1.00 5.28 H new ATOM 0 HD3 LYS A 98 19.048 -21.140 -9.832 1.00 5.28 H new ATOM 0 HE2 LYS A 98 17.897 -20.273 -11.978 1.00 5.24 H new ATOM 0 HE3 LYS A 98 18.922 -18.858 -11.850 1.00 5.24 H new ATOM 0 HZ1 LYS A 98 19.863 -20.491 -13.319 1.00 5.70 H new ATOM 0 HZ2 LYS A 98 20.861 -20.286 -11.961 1.00 5.70 H new ATOM 0 HZ3 LYS A 98 19.868 -21.657 -12.085 1.00 5.70 H new TER 1641 LYS A 98 ATOM 1642 N MET B 1 12.623 -13.344 5.208 1.00 5.18 N ATOM 1643 CA MET B 1 11.418 -13.894 4.570 1.00 4.13 C ATOM 1644 C MET B 1 11.872 -14.522 3.251 1.00 4.34 C ATOM 1645 O MET B 1 13.038 -14.908 3.186 1.00 5.63 O ATOM 1646 CB MET B 1 10.730 -14.912 5.500 1.00 4.43 C ATOM 1647 CG MET B 1 9.217 -14.662 5.596 1.00 4.38 C ATOM 1648 SD MET B 1 8.291 -14.955 4.071 1.00 6.05 S ATOM 1649 CE MET B 1 6.691 -14.254 4.528 1.00 6.11 C ATOM 0 H1 MET B 1 12.541 -13.434 6.241 1.00 5.18 H new ATOM 0 H2 MET B 1 13.459 -13.868 4.880 1.00 5.18 H new ATOM 0 H3 MET B 1 12.722 -12.340 4.955 1.00 5.18 H new ATOM 0 HA MET B 1 10.675 -13.121 4.376 1.00 4.13 H new ATOM 0 HB2 MET B 1 10.909 -15.922 5.130 1.00 4.43 H new ATOM 0 HB3 MET B 1 11.172 -14.853 6.494 1.00 4.43 H new ATOM 0 HG2 MET B 1 8.808 -15.301 6.379 1.00 4.38 H new ATOM 0 HG3 MET B 1 9.054 -13.631 5.909 1.00 4.38 H new ATOM 0 HE1 MET B 1 5.998 -14.354 3.693 1.00 6.11 H new ATOM 0 HE2 MET B 1 6.295 -14.785 5.394 1.00 6.11 H new ATOM 0 HE3 MET B 1 6.813 -13.199 4.774 1.00 6.11 H new ATOM 1661 N ALA B 2 10.986 -14.623 2.254 1.00 3.53 N ATOM 1662 CA ALA B 2 10.959 -15.618 1.187 1.00 3.51 C ATOM 1663 C ALA B 2 11.213 -15.102 -0.237 1.00 3.52 C ATOM 1664 O ALA B 2 10.304 -14.513 -0.808 1.00 4.59 O ATOM 1665 CB ALA B 2 11.571 -16.963 1.591 1.00 4.79 C ATOM 0 H ALA B 2 10.215 -13.961 2.170 1.00 3.53 H new ATOM 0 HA ALA B 2 9.906 -15.871 1.065 1.00 3.51 H new ATOM 0 HB1 ALA B 2 11.517 -17.654 0.750 1.00 4.79 H new ATOM 0 HB2 ALA B 2 12.613 -16.818 1.875 1.00 4.79 H new ATOM 0 HB3 ALA B 2 11.019 -17.375 2.435 1.00 4.79 H new ATOM 1671 N ALA B 3 12.359 -15.313 -0.888 1.00 3.59 N ATOM 1672 CA ALA B 3 13.681 -15.347 -0.292 1.00 3.54 C ATOM 1673 C ALA B 3 14.547 -14.358 -1.075 1.00 3.60 C ATOM 1674 O ALA B 3 15.683 -14.670 -1.435 1.00 4.56 O ATOM 1675 CB ALA B 3 14.270 -16.761 -0.432 1.00 4.45 C ATOM 0 H ALA B 3 12.383 -15.472 -1.895 1.00 3.59 H new ATOM 0 HA ALA B 3 13.642 -15.087 0.766 1.00 3.54 H new ATOM 0 HB1 ALA B 3 15.263 -16.787 0.016 1.00 4.45 H new ATOM 0 HB2 ALA B 3 13.624 -17.476 0.077 1.00 4.45 H new ATOM 0 HB3 ALA B 3 14.341 -17.023 -1.488 1.00 4.45 H new ATOM 1681 N GLU B 4 14.055 -13.123 -1.225 1.00 2.96 N ATOM 1682 CA GLU B 4 14.846 -12.035 -1.800 1.00 3.10 C ATOM 1683 C GLU B 4 15.301 -11.101 -0.683 1.00 3.34 C ATOM 1684 O GLU B 4 14.996 -9.914 -0.656 1.00 4.77 O ATOM 1685 CB GLU B 4 14.079 -11.342 -2.927 1.00 2.85 C ATOM 1686 CG GLU B 4 12.744 -10.716 -2.509 1.00 2.57 C ATOM 1687 CD GLU B 4 12.151 -9.893 -3.638 1.00 3.46 C ATOM 1688 OE1 GLU B 4 12.928 -9.142 -4.269 1.00 3.93 O ATOM 1689 OE2 GLU B 4 10.932 -10.044 -3.849 1.00 4.56 O ATOM 0 H GLU B 4 13.109 -12.854 -0.954 1.00 2.96 H new ATOM 0 HA GLU B 4 15.748 -12.425 -2.271 1.00 3.10 H new ATOM 0 HB2 GLU B 4 14.712 -10.563 -3.352 1.00 2.85 H new ATOM 0 HB3 GLU B 4 13.891 -12.067 -3.719 1.00 2.85 H new ATOM 0 HG2 GLU B 4 12.045 -11.501 -2.221 1.00 2.57 H new ATOM 0 HG3 GLU B 4 12.893 -10.084 -1.633 1.00 2.57 H new ATOM 1696 N PRO B 5 16.041 -11.673 0.271 1.00 2.34 N ATOM 1697 CA PRO B 5 15.821 -11.490 1.695 1.00 2.08 C ATOM 1698 C PRO B 5 14.629 -10.586 2.029 1.00 1.69 C ATOM 1699 O PRO B 5 14.779 -9.524 2.626 1.00 1.88 O ATOM 1700 CB PRO B 5 17.176 -11.068 2.255 1.00 2.73 C ATOM 1701 CG PRO B 5 18.115 -11.932 1.406 1.00 2.70 C ATOM 1702 CD PRO B 5 17.448 -11.910 0.026 1.00 2.51 C ATOM 0 HA PRO B 5 15.496 -12.408 2.185 1.00 2.08 H new ATOM 0 HB2 PRO B 5 17.364 -10.002 2.125 1.00 2.73 H new ATOM 0 HB3 PRO B 5 17.268 -11.280 3.320 1.00 2.73 H new ATOM 0 HG2 PRO B 5 19.124 -11.520 1.374 1.00 2.70 H new ATOM 0 HG3 PRO B 5 18.197 -12.945 1.799 1.00 2.70 H new ATOM 0 HD2 PRO B 5 17.873 -11.126 -0.601 1.00 2.51 H new ATOM 0 HD3 PRO B 5 17.600 -12.854 -0.497 1.00 2.51 H new ATOM 1710 N LEU B 6 13.432 -11.068 1.672 1.00 1.41 N ATOM 1711 CA LEU B 6 12.192 -10.305 1.733 1.00 1.32 C ATOM 1712 C LEU B 6 11.689 -10.295 3.169 1.00 1.20 C ATOM 1713 O LEU B 6 12.144 -11.086 3.996 1.00 1.62 O ATOM 1714 CB LEU B 6 11.190 -10.972 0.766 1.00 1.53 C ATOM 1715 CG LEU B 6 9.683 -10.769 0.966 1.00 1.44 C ATOM 1716 CD1 LEU B 6 8.994 -10.989 -0.381 1.00 2.16 C ATOM 1717 CD2 LEU B 6 9.069 -11.775 1.944 1.00 2.57 C ATOM 0 H LEU B 6 13.302 -12.019 1.327 1.00 1.41 H new ATOM 0 HA LEU B 6 12.333 -9.267 1.432 1.00 1.32 H new ATOM 0 HB2 LEU B 6 11.433 -10.630 -0.240 1.00 1.53 H new ATOM 0 HB3 LEU B 6 11.379 -12.045 0.792 1.00 1.53 H new ATOM 0 HG LEU B 6 9.542 -9.765 1.367 1.00 1.44 H new ATOM 0 HD11 LEU B 6 7.919 -10.850 -0.267 1.00 2.16 H new ATOM 0 HD12 LEU B 6 9.377 -10.272 -1.107 1.00 2.16 H new ATOM 0 HD13 LEU B 6 9.194 -12.002 -0.731 1.00 2.16 H new ATOM 0 HD21 LEU B 6 8.001 -11.580 2.044 1.00 2.57 H new ATOM 0 HD22 LEU B 6 9.220 -12.787 1.568 1.00 2.57 H new ATOM 0 HD23 LEU B 6 9.549 -11.675 2.918 1.00 2.57 H new ATOM 1729 N THR B 7 10.747 -9.404 3.468 1.00 1.03 N ATOM 1730 CA THR B 7 10.093 -9.301 4.758 1.00 0.98 C ATOM 1731 C THR B 7 8.596 -9.096 4.535 1.00 1.04 C ATOM 1732 O THR B 7 8.176 -8.829 3.409 1.00 1.29 O ATOM 1733 CB THR B 7 10.705 -8.112 5.512 1.00 1.02 C ATOM 1734 OG1 THR B 7 12.108 -8.101 5.340 1.00 1.55 O ATOM 1735 CG2 THR B 7 10.391 -8.160 7.011 1.00 1.01 C ATOM 0 H THR B 7 10.412 -8.715 2.795 1.00 1.03 H new ATOM 0 HA THR B 7 10.234 -10.207 5.347 1.00 0.98 H new ATOM 0 HB THR B 7 10.263 -7.206 5.097 1.00 1.02 H new ATOM 0 HG1 THR B 7 12.326 -7.745 4.453 1.00 1.55 H new ATOM 0 HG21 THR B 7 10.843 -7.300 7.505 1.00 1.01 H new ATOM 0 HG22 THR B 7 9.311 -8.136 7.157 1.00 1.01 H new ATOM 0 HG23 THR B 7 10.795 -9.078 7.438 1.00 1.01 H new ATOM 1743 N GLU B 8 7.816 -9.165 5.618 1.00 1.00 N ATOM 1744 CA GLU B 8 6.393 -8.854 5.668 1.00 1.05 C ATOM 1745 C GLU B 8 6.036 -7.611 4.840 1.00 1.04 C ATOM 1746 O GLU B 8 4.988 -7.575 4.198 1.00 1.14 O ATOM 1747 CB GLU B 8 5.957 -8.683 7.133 1.00 1.09 C ATOM 1748 CG GLU B 8 6.384 -9.860 8.027 1.00 1.61 C ATOM 1749 CD GLU B 8 5.598 -9.882 9.335 1.00 2.39 C ATOM 1750 OE1 GLU B 8 4.399 -10.219 9.261 1.00 3.53 O ATOM 1751 OE2 GLU B 8 6.205 -9.573 10.385 1.00 3.17 O ATOM 0 H GLU B 8 8.182 -9.454 6.525 1.00 1.00 H new ATOM 0 HA GLU B 8 5.851 -9.687 5.221 1.00 1.05 H new ATOM 0 HB2 GLU B 8 6.383 -7.761 7.528 1.00 1.09 H new ATOM 0 HB3 GLU B 8 4.873 -8.577 7.174 1.00 1.09 H new ATOM 0 HG2 GLU B 8 6.231 -10.798 7.493 1.00 1.61 H new ATOM 0 HG3 GLU B 8 7.450 -9.786 8.243 1.00 1.61 H new ATOM 1758 N LEU B 9 6.904 -6.591 4.840 1.00 1.03 N ATOM 1759 CA LEU B 9 6.668 -5.383 4.064 1.00 1.12 C ATOM 1760 C LEU B 9 6.550 -5.733 2.571 1.00 1.25 C ATOM 1761 O LEU B 9 5.490 -5.520 1.978 1.00 1.47 O ATOM 1762 CB LEU B 9 7.775 -4.354 4.342 1.00 1.19 C ATOM 1763 CG LEU B 9 7.771 -3.680 5.728 1.00 1.08 C ATOM 1764 CD1 LEU B 9 6.547 -2.784 5.924 1.00 1.88 C ATOM 1765 CD2 LEU B 9 7.923 -4.654 6.906 1.00 1.98 C ATOM 0 H LEU B 9 7.775 -6.586 5.372 1.00 1.03 H new ATOM 0 HA LEU B 9 5.724 -4.928 4.364 1.00 1.12 H new ATOM 0 HB2 LEU B 9 8.738 -4.847 4.208 1.00 1.19 H new ATOM 0 HB3 LEU B 9 7.709 -3.573 3.585 1.00 1.19 H new ATOM 0 HG LEU B 9 8.666 -3.058 5.733 1.00 1.08 H new ATOM 0 HD11 LEU B 9 6.584 -2.329 6.914 1.00 1.88 H new ATOM 0 HD12 LEU B 9 6.543 -2.002 5.165 1.00 1.88 H new ATOM 0 HD13 LEU B 9 5.640 -3.382 5.833 1.00 1.88 H new ATOM 0 HD21 LEU B 9 7.910 -4.097 7.843 1.00 1.98 H new ATOM 0 HD22 LEU B 9 7.099 -5.368 6.897 1.00 1.98 H new ATOM 0 HD23 LEU B 9 8.868 -5.190 6.816 1.00 1.98 H new ATOM 1777 N GLU B 10 7.600 -6.313 1.969 1.00 1.20 N ATOM 1778 CA GLU B 10 7.528 -6.753 0.568 1.00 1.31 C ATOM 1779 C GLU B 10 6.349 -7.710 0.408 1.00 1.28 C ATOM 1780 O GLU B 10 5.520 -7.531 -0.479 1.00 1.43 O ATOM 1781 CB GLU B 10 8.825 -7.408 0.042 1.00 1.47 C ATOM 1782 CG GLU B 10 9.629 -6.700 -1.072 1.00 1.23 C ATOM 1783 CD GLU B 10 8.811 -5.874 -2.070 1.00 2.12 C ATOM 1784 OE1 GLU B 10 7.751 -6.371 -2.500 1.00 3.29 O ATOM 1785 OE2 GLU B 10 9.252 -4.744 -2.378 1.00 2.83 O ATOM 0 H GLU B 10 8.497 -6.486 2.423 1.00 1.20 H new ATOM 0 HA GLU B 10 7.390 -5.857 -0.037 1.00 1.31 H new ATOM 0 HB2 GLU B 10 9.493 -7.543 0.893 1.00 1.47 H new ATOM 0 HB3 GLU B 10 8.566 -8.402 -0.322 1.00 1.47 H new ATOM 0 HG2 GLU B 10 10.362 -6.044 -0.603 1.00 1.23 H new ATOM 0 HG3 GLU B 10 10.186 -7.455 -1.626 1.00 1.23 H new ATOM 1792 N GLU B 11 6.231 -8.692 1.310 1.00 1.19 N ATOM 1793 CA GLU B 11 5.091 -9.609 1.282 1.00 1.26 C ATOM 1794 C GLU B 11 3.733 -8.884 1.165 1.00 1.24 C ATOM 1795 O GLU B 11 2.798 -9.425 0.580 1.00 1.54 O ATOM 1796 CB GLU B 11 5.112 -10.548 2.499 1.00 1.29 C ATOM 1797 CG GLU B 11 4.434 -11.899 2.215 1.00 1.82 C ATOM 1798 CD GLU B 11 5.138 -12.701 1.125 1.00 2.22 C ATOM 1799 OE1 GLU B 11 6.235 -13.226 1.405 1.00 2.61 O ATOM 1800 OE2 GLU B 11 4.583 -12.768 0.006 1.00 3.72 O ATOM 0 H GLU B 11 6.902 -8.869 2.058 1.00 1.19 H new ATOM 0 HA GLU B 11 5.198 -10.207 0.377 1.00 1.26 H new ATOM 0 HB2 GLU B 11 6.145 -10.721 2.802 1.00 1.29 H new ATOM 0 HB3 GLU B 11 4.611 -10.063 3.336 1.00 1.29 H new ATOM 0 HG2 GLU B 11 4.409 -12.487 3.133 1.00 1.82 H new ATOM 0 HG3 GLU B 11 3.399 -11.725 1.920 1.00 1.82 H new ATOM 1807 N SER B 12 3.603 -7.662 1.699 1.00 1.05 N ATOM 1808 CA SER B 12 2.356 -6.915 1.585 1.00 1.12 C ATOM 1809 C SER B 12 2.251 -6.243 0.216 1.00 1.09 C ATOM 1810 O SER B 12 1.184 -6.196 -0.397 1.00 1.21 O ATOM 1811 CB SER B 12 2.269 -5.870 2.702 1.00 1.22 C ATOM 1812 OG SER B 12 2.451 -6.469 3.968 1.00 2.00 O ATOM 0 H SER B 12 4.342 -7.178 2.209 1.00 1.05 H new ATOM 0 HA SER B 12 1.523 -7.611 1.686 1.00 1.12 H new ATOM 0 HB2 SER B 12 3.026 -5.102 2.546 1.00 1.22 H new ATOM 0 HB3 SER B 12 1.299 -5.373 2.666 1.00 1.22 H new ATOM 0 HG SER B 12 3.372 -6.796 4.046 1.00 2.00 H new ATOM 1818 N ILE B 13 3.372 -5.691 -0.248 1.00 1.01 N ATOM 1819 CA ILE B 13 3.480 -5.013 -1.532 1.00 1.02 C ATOM 1820 C ILE B 13 3.103 -5.994 -2.647 1.00 1.06 C ATOM 1821 O ILE B 13 2.276 -5.666 -3.502 1.00 1.08 O ATOM 1822 CB ILE B 13 4.899 -4.422 -1.649 1.00 1.01 C ATOM 1823 CG1 ILE B 13 5.046 -3.310 -0.594 1.00 1.11 C ATOM 1824 CG2 ILE B 13 5.252 -3.846 -3.029 1.00 0.98 C ATOM 1825 CD1 ILE B 13 6.493 -2.929 -0.332 1.00 0.90 C ATOM 0 H ILE B 13 4.249 -5.705 0.273 1.00 1.01 H new ATOM 0 HA ILE B 13 2.786 -4.177 -1.622 1.00 1.02 H new ATOM 0 HB ILE B 13 5.590 -5.250 -1.490 1.00 1.01 H new ATOM 0 HG12 ILE B 13 4.498 -2.428 -0.925 1.00 1.11 H new ATOM 0 HG13 ILE B 13 4.588 -3.639 0.339 1.00 1.11 H new ATOM 0 HG21 ILE B 13 6.269 -3.455 -3.011 1.00 0.98 H new ATOM 0 HG22 ILE B 13 5.179 -4.632 -3.781 1.00 0.98 H new ATOM 0 HG23 ILE B 13 4.559 -3.042 -3.276 1.00 0.98 H new ATOM 0 HD11 ILE B 13 6.531 -2.141 0.420 1.00 0.90 H new ATOM 0 HD12 ILE B 13 7.039 -3.801 0.028 1.00 0.90 H new ATOM 0 HD13 ILE B 13 6.948 -2.571 -1.256 1.00 0.90 H new ATOM 1837 N GLU B 14 3.662 -7.210 -2.585 1.00 1.18 N ATOM 1838 CA GLU B 14 3.309 -8.356 -3.414 1.00 1.45 C ATOM 1839 C GLU B 14 1.802 -8.450 -3.630 1.00 1.43 C ATOM 1840 O GLU B 14 1.335 -8.533 -4.767 1.00 1.44 O ATOM 1841 CB GLU B 14 3.817 -9.638 -2.750 1.00 2.11 C ATOM 1842 CG GLU B 14 5.323 -9.793 -2.956 1.00 1.27 C ATOM 1843 CD GLU B 14 5.604 -10.416 -4.318 1.00 2.12 C ATOM 1844 OE1 GLU B 14 5.654 -9.661 -5.309 1.00 3.48 O ATOM 1845 OE2 GLU B 14 5.688 -11.665 -4.344 1.00 2.58 O ATOM 0 H GLU B 14 4.407 -7.425 -1.922 1.00 1.18 H new ATOM 0 HA GLU B 14 3.778 -8.228 -4.390 1.00 1.45 H new ATOM 0 HB2 GLU B 14 3.591 -9.615 -1.684 1.00 2.11 H new ATOM 0 HB3 GLU B 14 3.297 -10.500 -3.168 1.00 2.11 H new ATOM 0 HG2 GLU B 14 5.810 -8.820 -2.885 1.00 1.27 H new ATOM 0 HG3 GLU B 14 5.743 -10.418 -2.168 1.00 1.27 H new ATOM 1852 N THR B 15 1.040 -8.438 -2.533 1.00 1.46 N ATOM 1853 CA THR B 15 -0.402 -8.581 -2.586 1.00 1.53 C ATOM 1854 C THR B 15 -0.999 -7.542 -3.531 1.00 1.31 C ATOM 1855 O THR B 15 -1.782 -7.884 -4.414 1.00 1.37 O ATOM 1856 CB THR B 15 -1.014 -8.459 -1.188 1.00 1.73 C ATOM 1857 OG1 THR B 15 -0.183 -9.069 -0.224 1.00 1.98 O ATOM 1858 CG2 THR B 15 -2.404 -9.103 -1.177 1.00 1.65 C ATOM 0 H THR B 15 1.412 -8.329 -1.590 1.00 1.46 H new ATOM 0 HA THR B 15 -0.637 -9.574 -2.968 1.00 1.53 H new ATOM 0 HB THR B 15 -1.106 -7.403 -0.935 1.00 1.73 H new ATOM 0 HG1 THR B 15 -0.590 -8.979 0.663 1.00 1.98 H new ATOM 0 HG21 THR B 15 -2.838 -9.015 -0.181 1.00 1.65 H new ATOM 0 HG22 THR B 15 -3.045 -8.596 -1.898 1.00 1.65 H new ATOM 0 HG23 THR B 15 -2.319 -10.156 -1.444 1.00 1.65 H new ATOM 1866 N VAL B 16 -0.625 -6.271 -3.372 1.00 1.10 N ATOM 1867 CA VAL B 16 -1.141 -5.223 -4.225 1.00 0.95 C ATOM 1868 C VAL B 16 -0.757 -5.501 -5.677 1.00 0.86 C ATOM 1869 O VAL B 16 -1.614 -5.550 -6.560 1.00 0.86 O ATOM 1870 CB VAL B 16 -0.603 -3.861 -3.770 1.00 0.80 C ATOM 1871 CG1 VAL B 16 -1.052 -2.821 -4.790 1.00 0.75 C ATOM 1872 CG2 VAL B 16 -1.090 -3.499 -2.364 1.00 0.98 C ATOM 0 H VAL B 16 0.032 -5.953 -2.660 1.00 1.10 H new ATOM 0 HA VAL B 16 -2.228 -5.202 -4.152 1.00 0.95 H new ATOM 0 HB VAL B 16 0.485 -3.895 -3.716 1.00 0.80 H new ATOM 0 HG11 VAL B 16 -0.684 -1.839 -4.494 1.00 0.75 H new ATOM 0 HG12 VAL B 16 -0.652 -3.078 -5.771 1.00 0.75 H new ATOM 0 HG13 VAL B 16 -2.141 -2.802 -4.835 1.00 0.75 H new ATOM 0 HG21 VAL B 16 -0.687 -2.527 -2.078 1.00 0.98 H new ATOM 0 HG22 VAL B 16 -2.179 -3.457 -2.356 1.00 0.98 H new ATOM 0 HG23 VAL B 16 -0.751 -4.255 -1.656 1.00 0.98 H new ATOM 1882 N VAL B 17 0.543 -5.633 -5.940 1.00 0.86 N ATOM 1883 CA VAL B 17 1.013 -5.741 -7.313 1.00 0.88 C ATOM 1884 C VAL B 17 0.392 -6.952 -8.024 1.00 0.90 C ATOM 1885 O VAL B 17 0.065 -6.844 -9.210 1.00 0.87 O ATOM 1886 CB VAL B 17 2.546 -5.662 -7.411 1.00 0.88 C ATOM 1887 CG1 VAL B 17 3.046 -4.308 -6.891 1.00 1.14 C ATOM 1888 CG2 VAL B 17 3.251 -6.790 -6.659 1.00 1.06 C ATOM 0 H VAL B 17 1.275 -5.667 -5.231 1.00 0.86 H new ATOM 0 HA VAL B 17 0.659 -4.868 -7.861 1.00 0.88 H new ATOM 0 HB VAL B 17 2.793 -5.772 -8.467 1.00 0.88 H new ATOM 0 HG11 VAL B 17 4.133 -4.268 -6.967 1.00 1.14 H new ATOM 0 HG12 VAL B 17 2.611 -3.506 -7.487 1.00 1.14 H new ATOM 0 HG13 VAL B 17 2.750 -4.187 -5.849 1.00 1.14 H new ATOM 0 HG21 VAL B 17 4.330 -6.679 -6.766 1.00 1.06 H new ATOM 0 HG22 VAL B 17 2.984 -6.746 -5.603 1.00 1.06 H new ATOM 0 HG23 VAL B 17 2.942 -7.751 -7.071 1.00 1.06 H new ATOM 1898 N THR B 18 0.176 -8.071 -7.321 1.00 1.07 N ATOM 1899 CA THR B 18 -0.501 -9.227 -7.900 1.00 1.16 C ATOM 1900 C THR B 18 -2.014 -9.007 -8.015 1.00 1.17 C ATOM 1901 O THR B 18 -2.593 -9.430 -9.013 1.00 1.22 O ATOM 1902 CB THR B 18 -0.141 -10.540 -7.181 1.00 1.24 C ATOM 1903 OG1 THR B 18 -0.413 -11.632 -8.038 1.00 2.18 O ATOM 1904 CG2 THR B 18 -0.898 -10.759 -5.870 1.00 1.55 C ATOM 0 H THR B 18 0.462 -8.195 -6.350 1.00 1.07 H new ATOM 0 HA THR B 18 -0.128 -9.334 -8.918 1.00 1.16 H new ATOM 0 HB THR B 18 0.918 -10.468 -6.933 1.00 1.24 H new ATOM 0 HG1 THR B 18 -0.183 -12.469 -7.584 1.00 2.18 H new ATOM 0 HG21 THR B 18 -0.589 -11.705 -5.425 1.00 1.55 H new ATOM 0 HG22 THR B 18 -0.676 -9.944 -5.181 1.00 1.55 H new ATOM 0 HG23 THR B 18 -1.969 -10.785 -6.068 1.00 1.55 H new ATOM 1912 N THR B 19 -2.661 -8.355 -7.036 1.00 1.16 N ATOM 1913 CA THR B 19 -4.106 -8.121 -7.051 1.00 1.22 C ATOM 1914 C THR B 19 -4.573 -7.592 -8.409 1.00 1.11 C ATOM 1915 O THR B 19 -5.560 -8.072 -8.957 1.00 1.13 O ATOM 1916 CB THR B 19 -4.495 -7.163 -5.916 1.00 1.39 C ATOM 1917 OG1 THR B 19 -4.450 -7.829 -4.674 1.00 1.73 O ATOM 1918 CG2 THR B 19 -5.898 -6.579 -6.073 1.00 1.60 C ATOM 0 H THR B 19 -2.193 -7.977 -6.213 1.00 1.16 H new ATOM 0 HA THR B 19 -4.610 -9.074 -6.889 1.00 1.22 H new ATOM 0 HB THR B 19 -3.772 -6.348 -5.960 1.00 1.39 H new ATOM 0 HG1 THR B 19 -3.518 -7.920 -4.385 1.00 1.73 H new ATOM 0 HG21 THR B 19 -6.110 -5.911 -5.238 1.00 1.60 H new ATOM 0 HG22 THR B 19 -5.958 -6.022 -7.008 1.00 1.60 H new ATOM 0 HG23 THR B 19 -6.629 -7.387 -6.085 1.00 1.60 H new ATOM 1926 N PHE B 20 -3.863 -6.614 -8.976 1.00 1.08 N ATOM 1927 CA PHE B 20 -4.212 -6.079 -10.289 1.00 1.13 C ATOM 1928 C PHE B 20 -4.210 -7.152 -11.383 1.00 1.13 C ATOM 1929 O PHE B 20 -4.994 -7.071 -12.324 1.00 1.24 O ATOM 1930 CB PHE B 20 -3.234 -4.974 -10.665 1.00 1.18 C ATOM 1931 CG PHE B 20 -3.350 -3.725 -9.827 1.00 1.16 C ATOM 1932 CD1 PHE B 20 -4.463 -2.881 -9.988 1.00 3.04 C ATOM 1933 CD2 PHE B 20 -2.344 -3.398 -8.902 1.00 1.41 C ATOM 1934 CE1 PHE B 20 -4.540 -1.679 -9.269 1.00 3.11 C ATOM 1935 CE2 PHE B 20 -2.418 -2.190 -8.192 1.00 1.43 C ATOM 1936 CZ PHE B 20 -3.487 -1.313 -8.416 1.00 1.35 C ATOM 0 H PHE B 20 -3.046 -6.179 -8.546 1.00 1.08 H new ATOM 0 HA PHE B 20 -5.227 -5.687 -10.218 1.00 1.13 H new ATOM 0 HB2 PHE B 20 -2.218 -5.360 -10.580 1.00 1.18 H new ATOM 0 HB3 PHE B 20 -3.388 -4.710 -11.711 1.00 1.18 H new ATOM 0 HD1 PHE B 20 -5.258 -3.158 -10.665 1.00 3.04 H new ATOM 0 HD2 PHE B 20 -1.517 -4.074 -8.738 1.00 1.41 H new ATOM 0 HE1 PHE B 20 -5.404 -1.039 -9.371 1.00 3.11 H new ATOM 0 HE2 PHE B 20 -1.652 -1.937 -7.474 1.00 1.43 H new ATOM 0 HZ PHE B 20 -3.501 -0.349 -7.929 1.00 1.35 H new ATOM 1946 N PHE B 21 -3.312 -8.135 -11.287 1.00 1.08 N ATOM 1947 CA PHE B 21 -3.336 -9.295 -12.168 1.00 1.20 C ATOM 1948 C PHE B 21 -4.579 -10.137 -11.858 1.00 1.26 C ATOM 1949 O PHE B 21 -5.279 -10.578 -12.770 1.00 1.46 O ATOM 1950 CB PHE B 21 -2.038 -10.113 -12.044 1.00 1.25 C ATOM 1951 CG PHE B 21 -1.409 -10.443 -13.386 1.00 1.68 C ATOM 1952 CD1 PHE B 21 -2.172 -11.105 -14.369 1.00 2.59 C ATOM 1953 CD2 PHE B 21 -0.082 -10.062 -13.674 1.00 2.57 C ATOM 1954 CE1 PHE B 21 -1.624 -11.357 -15.636 1.00 3.37 C ATOM 1955 CE2 PHE B 21 0.455 -10.295 -14.954 1.00 3.30 C ATOM 1956 CZ PHE B 21 -0.318 -10.936 -15.937 1.00 3.44 C ATOM 0 H PHE B 21 -2.556 -8.146 -10.602 1.00 1.08 H new ATOM 0 HA PHE B 21 -3.393 -8.963 -13.205 1.00 1.20 H new ATOM 0 HB2 PHE B 21 -1.321 -9.556 -11.441 1.00 1.25 H new ATOM 0 HB3 PHE B 21 -2.250 -11.040 -11.511 1.00 1.25 H new ATOM 0 HD1 PHE B 21 -3.181 -11.419 -14.146 1.00 2.59 H new ATOM 0 HD2 PHE B 21 0.522 -9.591 -12.912 1.00 2.57 H new ATOM 0 HE1 PHE B 21 -2.208 -11.876 -16.382 1.00 3.37 H new ATOM 0 HE2 PHE B 21 1.463 -9.981 -15.181 1.00 3.30 H new ATOM 0 HZ PHE B 21 0.091 -11.105 -16.922 1.00 3.44 H new ATOM 1966 N THR B 22 -4.909 -10.292 -10.574 1.00 1.32 N ATOM 1967 CA THR B 22 -6.084 -11.037 -10.137 1.00 1.60 C ATOM 1968 C THR B 22 -7.326 -10.139 -10.266 1.00 1.58 C ATOM 1969 O THR B 22 -8.072 -9.930 -9.314 1.00 1.98 O ATOM 1970 CB THR B 22 -5.871 -11.483 -8.675 1.00 2.18 C ATOM 1971 OG1 THR B 22 -4.523 -11.856 -8.453 1.00 2.79 O ATOM 1972 CG2 THR B 22 -6.763 -12.675 -8.315 1.00 2.56 C ATOM 0 H THR B 22 -4.363 -9.901 -9.806 1.00 1.32 H new ATOM 0 HA THR B 22 -6.234 -11.922 -10.756 1.00 1.60 H new ATOM 0 HB THR B 22 -6.133 -10.632 -8.047 1.00 2.18 H new ATOM 0 HG1 THR B 22 -4.410 -12.134 -7.520 1.00 2.79 H new ATOM 0 HG21 THR B 22 -6.586 -12.962 -7.278 1.00 2.56 H new ATOM 0 HG22 THR B 22 -7.810 -12.398 -8.441 1.00 2.56 H new ATOM 0 HG23 THR B 22 -6.529 -13.515 -8.969 1.00 2.56 H new ATOM 1980 N PHE B 23 -7.586 -9.651 -11.483 1.00 1.59 N ATOM 1981 CA PHE B 23 -8.703 -8.759 -11.761 1.00 2.03 C ATOM 1982 C PHE B 23 -9.961 -9.595 -11.992 1.00 2.14 C ATOM 1983 O PHE B 23 -10.913 -9.531 -11.220 1.00 2.88 O ATOM 1984 CB PHE B 23 -8.359 -7.865 -12.963 1.00 2.60 C ATOM 1985 CG PHE B 23 -9.510 -7.004 -13.448 1.00 3.49 C ATOM 1986 CD1 PHE B 23 -9.974 -5.942 -12.649 1.00 4.20 C ATOM 1987 CD2 PHE B 23 -10.145 -7.285 -14.674 1.00 4.60 C ATOM 1988 CE1 PHE B 23 -11.046 -5.147 -13.088 1.00 5.48 C ATOM 1989 CE2 PHE B 23 -11.226 -6.495 -15.105 1.00 5.64 C ATOM 1990 CZ PHE B 23 -11.672 -5.421 -14.315 1.00 5.94 C ATOM 0 H PHE B 23 -7.021 -9.868 -12.304 1.00 1.59 H new ATOM 0 HA PHE B 23 -8.894 -8.100 -10.914 1.00 2.03 H new ATOM 0 HB2 PHE B 23 -7.525 -7.218 -12.693 1.00 2.60 H new ATOM 0 HB3 PHE B 23 -8.020 -8.495 -13.785 1.00 2.60 H new ATOM 0 HD1 PHE B 23 -9.505 -5.738 -11.698 1.00 4.20 H new ATOM 0 HD2 PHE B 23 -9.801 -8.108 -15.283 1.00 4.60 H new ATOM 0 HE1 PHE B 23 -11.390 -4.323 -12.480 1.00 5.48 H new ATOM 0 HE2 PHE B 23 -11.714 -6.714 -16.043 1.00 5.64 H new ATOM 0 HZ PHE B 23 -12.495 -4.808 -14.651 1.00 5.94 H new ATOM 2000 N ALA B 24 -9.948 -10.408 -13.051 1.00 2.52 N ATOM 2001 CA ALA B 24 -11.014 -11.350 -13.360 1.00 2.90 C ATOM 2002 C ALA B 24 -10.419 -12.465 -14.217 1.00 3.43 C ATOM 2003 O ALA B 24 -10.842 -12.688 -15.347 1.00 4.17 O ATOM 2004 CB ALA B 24 -12.154 -10.615 -14.078 1.00 3.60 C ATOM 0 H ALA B 24 -9.183 -10.427 -13.725 1.00 2.52 H new ATOM 0 HA ALA B 24 -11.434 -11.789 -12.455 1.00 2.90 H new ATOM 0 HB1 ALA B 24 -12.952 -11.320 -14.310 1.00 3.60 H new ATOM 0 HB2 ALA B 24 -12.542 -9.827 -13.433 1.00 3.60 H new ATOM 0 HB3 ALA B 24 -11.779 -10.176 -15.002 1.00 3.60 H new ATOM 2010 N ARG B 25 -9.401 -13.138 -13.666 1.00 3.71 N ATOM 2011 CA ARG B 25 -8.522 -14.055 -14.385 1.00 4.66 C ATOM 2012 C ARG B 25 -8.171 -13.505 -15.773 1.00 4.03 C ATOM 2013 O ARG B 25 -8.417 -14.166 -16.781 1.00 4.61 O ATOM 2014 CB ARG B 25 -9.176 -15.437 -14.529 1.00 6.18 C ATOM 2015 CG ARG B 25 -9.575 -16.105 -13.210 1.00 7.60 C ATOM 2016 CD ARG B 25 -10.188 -17.493 -13.460 1.00 9.33 C ATOM 2017 NE ARG B 25 -9.204 -18.461 -13.990 1.00 10.55 N ATOM 2018 CZ ARG B 25 -8.924 -18.711 -15.284 1.00 11.08 C ATOM 2019 NH1 ARG B 25 -9.575 -18.070 -16.259 1.00 10.56 N ATOM 2020 NH2 ARG B 25 -7.974 -19.599 -15.599 1.00 12.44 N ATOM 0 H ARG B 25 -9.163 -13.054 -12.678 1.00 3.71 H new ATOM 0 HA ARG B 25 -7.605 -14.155 -13.804 1.00 4.66 H new ATOM 0 HB2 ARG B 25 -10.065 -15.339 -15.152 1.00 6.18 H new ATOM 0 HB3 ARG B 25 -8.487 -16.095 -15.058 1.00 6.18 H new ATOM 0 HG2 ARG B 25 -8.700 -16.200 -12.567 1.00 7.60 H new ATOM 0 HG3 ARG B 25 -10.292 -15.476 -12.682 1.00 7.60 H new ATOM 0 HD2 ARG B 25 -10.603 -17.876 -12.528 1.00 9.33 H new ATOM 0 HD3 ARG B 25 -11.016 -17.400 -14.163 1.00 9.33 H new ATOM 0 HE ARG B 25 -8.679 -18.999 -13.300 1.00 10.55 H new ATOM 0 HH11 ARG B 25 -10.293 -17.383 -16.027 1.00 10.56 H new ATOM 0 HH12 ARG B 25 -9.354 -18.268 -17.235 1.00 10.56 H new ATOM 0 HH21 ARG B 25 -7.464 -20.084 -14.861 1.00 12.44 H new ATOM 0 HH22 ARG B 25 -7.759 -19.791 -16.578 1.00 12.44 H new ATOM 2034 N GLN B 26 -7.582 -12.307 -15.823 1.00 3.76 N ATOM 2035 CA GLN B 26 -7.245 -11.662 -17.082 1.00 3.59 C ATOM 2036 C GLN B 26 -5.762 -11.906 -17.342 1.00 3.71 C ATOM 2037 O GLN B 26 -4.914 -11.468 -16.564 1.00 4.39 O ATOM 2038 CB GLN B 26 -7.592 -10.164 -17.029 1.00 4.54 C ATOM 2039 CG GLN B 26 -8.173 -9.660 -18.360 1.00 5.40 C ATOM 2040 CD GLN B 26 -7.340 -10.051 -19.577 1.00 6.37 C ATOM 2041 OE1 GLN B 26 -7.816 -10.750 -20.464 1.00 6.93 O ATOM 2042 NE2 GLN B 26 -6.080 -9.638 -19.626 1.00 7.27 N ATOM 0 H GLN B 26 -7.330 -11.766 -14.996 1.00 3.76 H new ATOM 0 HA GLN B 26 -7.826 -12.079 -17.905 1.00 3.59 H new ATOM 0 HB2 GLN B 26 -8.311 -9.987 -16.229 1.00 4.54 H new ATOM 0 HB3 GLN B 26 -6.696 -9.593 -16.785 1.00 4.54 H new ATOM 0 HG2 GLN B 26 -9.182 -10.054 -18.479 1.00 5.40 H new ATOM 0 HG3 GLN B 26 -8.258 -8.574 -18.322 1.00 5.40 H new ATOM 0 HE21 GLN B 26 -5.704 -9.057 -18.877 1.00 7.27 H new ATOM 0 HE22 GLN B 26 -5.487 -9.902 -20.413 1.00 7.27 H new ATOM 2051 N GLU B 27 -5.436 -12.599 -18.431 1.00 3.93 N ATOM 2052 CA GLU B 27 -4.074 -13.008 -18.727 1.00 4.65 C ATOM 2053 C GLU B 27 -3.335 -11.849 -19.410 1.00 3.86 C ATOM 2054 O GLU B 27 -2.871 -11.962 -20.541 1.00 4.64 O ATOM 2055 CB GLU B 27 -4.119 -14.312 -19.541 1.00 6.15 C ATOM 2056 CG GLU B 27 -4.884 -15.393 -18.750 1.00 7.48 C ATOM 2057 CD GLU B 27 -4.932 -16.753 -19.438 1.00 9.04 C ATOM 2058 OE1 GLU B 27 -4.237 -16.906 -20.465 1.00 9.39 O ATOM 2059 OE2 GLU B 27 -5.667 -17.616 -18.908 1.00 10.20 O ATOM 0 H GLU B 27 -6.116 -12.892 -19.133 1.00 3.93 H new ATOM 0 HA GLU B 27 -3.505 -13.229 -17.824 1.00 4.65 H new ATOM 0 HB2 GLU B 27 -4.606 -14.137 -20.500 1.00 6.15 H new ATOM 0 HB3 GLU B 27 -3.106 -14.653 -19.756 1.00 6.15 H new ATOM 0 HG2 GLU B 27 -4.418 -15.509 -17.771 1.00 7.48 H new ATOM 0 HG3 GLU B 27 -5.904 -15.049 -18.579 1.00 7.48 H new ATOM 2066 N GLY B 28 -3.245 -10.716 -18.704 1.00 2.97 N ATOM 2067 CA GLY B 28 -2.642 -9.476 -19.165 1.00 2.44 C ATOM 2068 C GLY B 28 -3.269 -8.293 -18.426 1.00 2.08 C ATOM 2069 O GLY B 28 -4.344 -8.428 -17.840 1.00 2.47 O ATOM 0 H GLY B 28 -3.609 -10.643 -17.754 1.00 2.97 H new ATOM 0 HA2 GLY B 28 -1.566 -9.497 -18.991 1.00 2.44 H new ATOM 0 HA3 GLY B 28 -2.790 -9.366 -20.239 1.00 2.44 H new ATOM 2073 N ARG B 29 -2.603 -7.137 -18.439 1.00 1.86 N ATOM 2074 CA ARG B 29 -3.052 -5.905 -17.805 1.00 1.91 C ATOM 2075 C ARG B 29 -2.357 -4.744 -18.514 1.00 1.82 C ATOM 2076 O ARG B 29 -1.315 -4.963 -19.130 1.00 1.97 O ATOM 2077 CB ARG B 29 -2.726 -5.935 -16.298 1.00 2.05 C ATOM 2078 CG ARG B 29 -1.232 -6.179 -16.027 1.00 2.09 C ATOM 2079 CD ARG B 29 -0.963 -6.571 -14.571 1.00 2.57 C ATOM 2080 NE ARG B 29 -0.899 -5.415 -13.661 1.00 3.95 N ATOM 2081 CZ ARG B 29 -0.380 -5.486 -12.427 1.00 5.15 C ATOM 2082 NH1 ARG B 29 -0.191 -6.689 -11.876 1.00 5.42 N ATOM 2083 NH2 ARG B 29 -0.074 -4.383 -11.741 1.00 6.70 N ATOM 0 H ARG B 29 -1.704 -7.034 -18.910 1.00 1.86 H new ATOM 0 HA ARG B 29 -4.132 -5.788 -17.891 1.00 1.91 H new ATOM 0 HB2 ARG B 29 -3.025 -4.990 -15.845 1.00 2.05 H new ATOM 0 HB3 ARG B 29 -3.312 -6.718 -15.818 1.00 2.05 H new ATOM 0 HG2 ARG B 29 -0.869 -6.967 -16.686 1.00 2.09 H new ATOM 0 HG3 ARG B 29 -0.669 -5.277 -16.268 1.00 2.09 H new ATOM 0 HD2 ARG B 29 -1.747 -7.248 -14.233 1.00 2.57 H new ATOM 0 HD3 ARG B 29 -0.023 -7.120 -14.517 1.00 2.57 H new ATOM 0 HE ARG B 29 -1.266 -4.520 -13.984 1.00 3.95 H new ATOM 0 HH11 ARG B 29 -0.440 -7.532 -12.393 1.00 5.42 H new ATOM 0 HH12 ARG B 29 0.203 -6.764 -10.938 1.00 5.42 H new ATOM 0 HH21 ARG B 29 -0.234 -3.464 -12.154 1.00 6.70 H new ATOM 0 HH22 ARG B 29 0.320 -4.459 -10.803 1.00 6.70 H new ATOM 2097 N LYS B 30 -2.897 -3.525 -18.407 1.00 1.78 N ATOM 2098 CA LYS B 30 -2.121 -2.324 -18.702 1.00 1.75 C ATOM 2099 C LYS B 30 -1.143 -2.142 -17.541 1.00 1.60 C ATOM 2100 O LYS B 30 0.052 -2.400 -17.667 1.00 2.35 O ATOM 2101 CB LYS B 30 -3.046 -1.106 -18.865 1.00 2.09 C ATOM 2102 CG LYS B 30 -3.912 -1.190 -20.129 1.00 2.51 C ATOM 2103 CD LYS B 30 -4.593 0.155 -20.429 1.00 3.20 C ATOM 2104 CE LYS B 30 -5.627 0.560 -19.365 1.00 3.54 C ATOM 2105 NZ LYS B 30 -6.185 1.899 -19.634 1.00 4.49 N ATOM 0 H LYS B 30 -3.860 -3.349 -18.121 1.00 1.78 H new ATOM 0 HA LYS B 30 -1.579 -2.421 -19.643 1.00 1.75 H new ATOM 0 HB2 LYS B 30 -3.692 -1.025 -17.991 1.00 2.09 H new ATOM 0 HB3 LYS B 30 -2.443 -0.199 -18.901 1.00 2.09 H new ATOM 0 HG2 LYS B 30 -3.294 -1.484 -20.977 1.00 2.51 H new ATOM 0 HG3 LYS B 30 -4.669 -1.964 -20.003 1.00 2.51 H new ATOM 0 HD2 LYS B 30 -3.832 0.932 -20.502 1.00 3.20 H new ATOM 0 HD3 LYS B 30 -5.084 0.098 -21.401 1.00 3.20 H new ATOM 0 HE2 LYS B 30 -6.433 -0.173 -19.342 1.00 3.54 H new ATOM 0 HE3 LYS B 30 -5.160 0.551 -18.380 1.00 3.54 H new ATOM 0 HZ1 LYS B 30 -6.787 2.190 -18.838 1.00 4.49 H new ATOM 0 HZ2 LYS B 30 -5.409 2.582 -19.749 1.00 4.49 H new ATOM 0 HZ3 LYS B 30 -6.752 1.870 -20.505 1.00 4.49 H new ATOM 2119 N ASP B 31 -1.695 -1.772 -16.385 1.00 1.16 N ATOM 2120 CA ASP B 31 -1.078 -1.932 -15.081 1.00 1.22 C ATOM 2121 C ASP B 31 -2.214 -2.069 -14.076 1.00 1.21 C ATOM 2122 O ASP B 31 -2.426 -3.149 -13.523 1.00 1.66 O ATOM 2123 CB ASP B 31 -0.168 -0.749 -14.727 1.00 1.56 C ATOM 2124 CG ASP B 31 0.277 -0.853 -13.274 1.00 2.92 C ATOM 2125 OD1 ASP B 31 0.353 -2.001 -12.781 1.00 4.19 O ATOM 2126 OD2 ASP B 31 0.527 0.210 -12.667 1.00 3.74 O ATOM 0 H ASP B 31 -2.617 -1.338 -16.336 1.00 1.16 H new ATOM 0 HA ASP B 31 -0.435 -2.812 -15.072 1.00 1.22 H new ATOM 0 HB2 ASP B 31 0.702 -0.740 -15.383 1.00 1.56 H new ATOM 0 HB3 ASP B 31 -0.698 0.190 -14.888 1.00 1.56 H new ATOM 2131 N SER B 32 -2.954 -0.970 -13.913 1.00 1.01 N ATOM 2132 CA SER B 32 -4.086 -0.810 -13.022 1.00 0.93 C ATOM 2133 C SER B 32 -5.321 -0.367 -13.827 1.00 0.94 C ATOM 2134 O SER B 32 -5.400 -0.621 -15.029 1.00 1.07 O ATOM 2135 CB SER B 32 -3.658 0.175 -11.926 1.00 1.05 C ATOM 2136 OG SER B 32 -2.519 -0.329 -11.262 1.00 2.67 O ATOM 0 H SER B 32 -2.759 -0.118 -14.438 1.00 1.01 H new ATOM 0 HA SER B 32 -4.379 -1.743 -12.540 1.00 0.93 H new ATOM 0 HB2 SER B 32 -3.437 1.149 -12.363 1.00 1.05 H new ATOM 0 HB3 SER B 32 -4.472 0.322 -11.216 1.00 1.05 H new ATOM 0 HG SER B 32 -2.789 -0.739 -10.414 1.00 2.67 H new ATOM 2142 N LEU B 33 -6.305 0.233 -13.151 1.00 0.92 N ATOM 2143 CA LEU B 33 -7.682 0.372 -13.608 1.00 0.90 C ATOM 2144 C LEU B 33 -7.928 1.776 -14.183 1.00 0.85 C ATOM 2145 O LEU B 33 -6.977 2.539 -14.367 1.00 0.94 O ATOM 2146 CB LEU B 33 -8.582 0.105 -12.385 1.00 1.06 C ATOM 2147 CG LEU B 33 -8.326 -1.251 -11.702 1.00 1.25 C ATOM 2148 CD1 LEU B 33 -8.910 -1.267 -10.289 1.00 3.24 C ATOM 2149 CD2 LEU B 33 -8.981 -2.368 -12.506 1.00 1.93 C ATOM 0 H LEU B 33 -6.153 0.651 -12.233 1.00 0.92 H new ATOM 0 HA LEU B 33 -7.902 -0.333 -14.409 1.00 0.90 H new ATOM 0 HB2 LEU B 33 -8.432 0.901 -11.656 1.00 1.06 H new ATOM 0 HB3 LEU B 33 -9.625 0.151 -12.698 1.00 1.06 H new ATOM 0 HG LEU B 33 -7.248 -1.402 -11.650 1.00 1.25 H new ATOM 0 HD11 LEU B 33 -8.717 -2.235 -9.826 1.00 3.24 H new ATOM 0 HD12 LEU B 33 -8.445 -0.481 -9.694 1.00 3.24 H new ATOM 0 HD13 LEU B 33 -9.985 -1.096 -10.338 1.00 3.24 H new ATOM 0 HD21 LEU B 33 -8.796 -3.325 -12.017 1.00 1.93 H new ATOM 0 HD22 LEU B 33 -10.055 -2.192 -12.565 1.00 1.93 H new ATOM 0 HD23 LEU B 33 -8.561 -2.387 -13.512 1.00 1.93 H new ATOM 2161 N SER B 34 -9.201 2.127 -14.419 1.00 0.83 N ATOM 2162 CA SER B 34 -9.645 3.519 -14.475 1.00 0.77 C ATOM 2163 C SER B 34 -9.969 4.001 -13.065 1.00 0.68 C ATOM 2164 O SER B 34 -10.125 3.186 -12.160 1.00 0.72 O ATOM 2165 CB SER B 34 -10.819 3.716 -15.443 1.00 0.88 C ATOM 2166 OG SER B 34 -10.366 3.605 -16.779 1.00 1.75 O ATOM 0 H SER B 34 -9.948 1.450 -14.576 1.00 0.83 H new ATOM 0 HA SER B 34 -8.835 4.129 -14.874 1.00 0.77 H new ATOM 0 HB2 SER B 34 -11.591 2.971 -15.249 1.00 0.88 H new ATOM 0 HB3 SER B 34 -11.273 4.694 -15.284 1.00 0.88 H new ATOM 0 HG SER B 34 -10.392 4.486 -17.207 1.00 1.75 H new ATOM 2172 N VAL B 35 -10.002 5.314 -12.837 1.00 0.66 N ATOM 2173 CA VAL B 35 -10.022 5.850 -11.482 1.00 0.66 C ATOM 2174 C VAL B 35 -11.371 5.580 -10.805 1.00 0.68 C ATOM 2175 O VAL B 35 -11.421 5.074 -9.682 1.00 0.69 O ATOM 2176 CB VAL B 35 -9.655 7.335 -11.503 1.00 0.76 C ATOM 2177 CG1 VAL B 35 -9.531 7.866 -10.084 1.00 0.86 C ATOM 2178 CG2 VAL B 35 -8.307 7.617 -12.180 1.00 0.86 C ATOM 0 H VAL B 35 -10.015 6.021 -13.572 1.00 0.66 H new ATOM 0 HA VAL B 35 -9.271 5.338 -10.880 1.00 0.66 H new ATOM 0 HB VAL B 35 -10.454 7.820 -12.064 1.00 0.76 H new ATOM 0 HG11 VAL B 35 -9.269 8.924 -10.113 1.00 0.86 H new ATOM 0 HG12 VAL B 35 -10.481 7.741 -9.564 1.00 0.86 H new ATOM 0 HG13 VAL B 35 -8.753 7.314 -9.556 1.00 0.86 H new ATOM 0 HG21 VAL B 35 -8.107 8.688 -12.161 1.00 0.86 H new ATOM 0 HG22 VAL B 35 -7.515 7.091 -11.647 1.00 0.86 H new ATOM 0 HG23 VAL B 35 -8.340 7.272 -13.214 1.00 0.86 H new ATOM 2188 N ASN B 36 -12.462 5.908 -11.497 1.00 0.76 N ATOM 2189 CA ASN B 36 -13.820 5.523 -11.104 1.00 1.00 C ATOM 2190 C ASN B 36 -13.876 4.026 -10.763 1.00 1.03 C ATOM 2191 O ASN B 36 -14.152 3.666 -9.620 1.00 1.09 O ATOM 2192 CB ASN B 36 -14.863 5.868 -12.191 1.00 1.34 C ATOM 2193 CG ASN B 36 -14.385 5.681 -13.637 1.00 3.39 C ATOM 2194 OD1 ASN B 36 -13.546 4.834 -13.931 1.00 4.88 O ATOM 2195 ND2 ASN B 36 -14.870 6.510 -14.556 1.00 4.01 N ATOM 0 H ASN B 36 -12.429 6.455 -12.357 1.00 0.76 H new ATOM 0 HA ASN B 36 -14.075 6.101 -10.216 1.00 1.00 H new ATOM 0 HB2 ASN B 36 -15.746 5.249 -12.034 1.00 1.34 H new ATOM 0 HB3 ASN B 36 -15.173 6.905 -12.059 1.00 1.34 H new ATOM 0 HD21 ASN B 36 -14.546 6.448 -15.521 1.00 4.01 H new ATOM 0 HD22 ASN B 36 -15.567 7.208 -14.296 1.00 4.01 H new ATOM 2202 N GLU B 37 -13.553 3.170 -11.741 1.00 1.06 N ATOM 2203 CA GLU B 37 -13.486 1.716 -11.623 1.00 1.17 C ATOM 2204 C GLU B 37 -12.747 1.339 -10.338 1.00 1.06 C ATOM 2205 O GLU B 37 -13.283 0.633 -9.491 1.00 1.18 O ATOM 2206 CB GLU B 37 -12.809 1.161 -12.892 1.00 1.26 C ATOM 2207 CG GLU B 37 -12.388 -0.321 -12.855 1.00 1.88 C ATOM 2208 CD GLU B 37 -13.538 -1.317 -12.928 1.00 2.60 C ATOM 2209 OE1 GLU B 37 -14.699 -0.865 -12.982 1.00 3.40 O ATOM 2210 OE2 GLU B 37 -13.215 -2.525 -12.943 1.00 3.64 O ATOM 0 H GLU B 37 -13.321 3.493 -12.680 1.00 1.06 H new ATOM 0 HA GLU B 37 -14.480 1.275 -11.551 1.00 1.17 H new ATOM 0 HB2 GLU B 37 -13.490 1.301 -13.731 1.00 1.26 H new ATOM 0 HB3 GLU B 37 -11.923 1.762 -13.097 1.00 1.26 H new ATOM 0 HG2 GLU B 37 -11.709 -0.511 -13.686 1.00 1.88 H new ATOM 0 HG3 GLU B 37 -11.828 -0.502 -11.937 1.00 1.88 H new ATOM 2217 N PHE B 38 -11.525 1.848 -10.174 1.00 0.88 N ATOM 2218 CA PHE B 38 -10.724 1.659 -8.975 1.00 0.80 C ATOM 2219 C PHE B 38 -11.531 1.981 -7.717 1.00 0.73 C ATOM 2220 O PHE B 38 -11.631 1.123 -6.842 1.00 0.74 O ATOM 2221 CB PHE B 38 -9.431 2.483 -9.055 1.00 0.72 C ATOM 2222 CG PHE B 38 -8.824 2.840 -7.714 1.00 0.86 C ATOM 2223 CD1 PHE B 38 -8.434 1.819 -6.832 1.00 1.81 C ATOM 2224 CD2 PHE B 38 -8.842 4.176 -7.271 1.00 2.54 C ATOM 2225 CE1 PHE B 38 -8.015 2.134 -5.528 1.00 1.84 C ATOM 2226 CE2 PHE B 38 -8.425 4.489 -5.966 1.00 2.87 C ATOM 2227 CZ PHE B 38 -7.986 3.472 -5.102 1.00 1.62 C ATOM 0 H PHE B 38 -11.061 2.412 -10.886 1.00 0.88 H new ATOM 0 HA PHE B 38 -10.441 0.608 -8.911 1.00 0.80 H new ATOM 0 HB2 PHE B 38 -8.696 1.925 -9.634 1.00 0.72 H new ATOM 0 HB3 PHE B 38 -9.636 3.403 -9.602 1.00 0.72 H new ATOM 0 HD1 PHE B 38 -8.456 0.789 -7.157 1.00 1.81 H new ATOM 0 HD2 PHE B 38 -9.176 4.960 -7.934 1.00 2.54 H new ATOM 0 HE1 PHE B 38 -7.715 1.346 -4.853 1.00 1.84 H new ATOM 0 HE2 PHE B 38 -8.442 5.514 -5.626 1.00 2.87 H new ATOM 0 HZ PHE B 38 -7.627 3.718 -4.113 1.00 1.62 H new ATOM 2237 N LYS B 39 -12.094 3.190 -7.609 1.00 0.73 N ATOM 2238 CA LYS B 39 -12.875 3.567 -6.436 1.00 0.75 C ATOM 2239 C LYS B 39 -13.975 2.539 -6.181 1.00 0.87 C ATOM 2240 O LYS B 39 -14.141 2.064 -5.057 1.00 0.95 O ATOM 2241 CB LYS B 39 -13.455 4.986 -6.566 1.00 0.85 C ATOM 2242 CG LYS B 39 -14.306 5.350 -5.330 1.00 0.91 C ATOM 2243 CD LYS B 39 -15.814 5.231 -5.617 1.00 1.47 C ATOM 2244 CE LYS B 39 -16.667 5.365 -4.347 1.00 2.22 C ATOM 2245 NZ LYS B 39 -16.528 6.683 -3.695 1.00 3.39 N ATOM 0 H LYS B 39 -12.021 3.918 -8.319 1.00 0.73 H new ATOM 0 HA LYS B 39 -12.205 3.578 -5.576 1.00 0.75 H new ATOM 0 HB2 LYS B 39 -12.644 5.706 -6.679 1.00 0.85 H new ATOM 0 HB3 LYS B 39 -14.067 5.052 -7.466 1.00 0.85 H new ATOM 0 HG2 LYS B 39 -14.041 4.694 -4.501 1.00 0.91 H new ATOM 0 HG3 LYS B 39 -14.075 6.368 -5.017 1.00 0.91 H new ATOM 0 HD2 LYS B 39 -16.107 6.002 -6.330 1.00 1.47 H new ATOM 0 HD3 LYS B 39 -16.016 4.268 -6.087 1.00 1.47 H new ATOM 0 HE2 LYS B 39 -17.714 5.200 -4.600 1.00 2.22 H new ATOM 0 HE3 LYS B 39 -16.383 4.585 -3.641 1.00 2.22 H new ATOM 0 HZ1 LYS B 39 -17.126 6.714 -2.845 1.00 3.39 H new ATOM 0 HZ2 LYS B 39 -15.535 6.834 -3.426 1.00 3.39 H new ATOM 0 HZ3 LYS B 39 -16.825 7.430 -4.355 1.00 3.39 H new ATOM 2259 N GLU B 40 -14.750 2.235 -7.219 1.00 0.92 N ATOM 2260 CA GLU B 40 -15.898 1.355 -7.126 1.00 1.04 C ATOM 2261 C GLU B 40 -15.465 -0.052 -6.701 1.00 0.93 C ATOM 2262 O GLU B 40 -16.120 -0.677 -5.866 1.00 1.05 O ATOM 2263 CB GLU B 40 -16.674 1.407 -8.447 1.00 1.27 C ATOM 2264 CG GLU B 40 -17.272 2.815 -8.622 1.00 1.34 C ATOM 2265 CD GLU B 40 -17.939 2.991 -9.978 1.00 2.04 C ATOM 2266 OE1 GLU B 40 -18.914 2.252 -10.222 1.00 2.79 O ATOM 2267 OE2 GLU B 40 -17.475 3.881 -10.725 1.00 2.95 O ATOM 0 H GLU B 40 -14.591 2.601 -8.158 1.00 0.92 H new ATOM 0 HA GLU B 40 -16.582 1.689 -6.346 1.00 1.04 H new ATOM 0 HB2 GLU B 40 -16.013 1.172 -9.281 1.00 1.27 H new ATOM 0 HB3 GLU B 40 -17.466 0.659 -8.448 1.00 1.27 H new ATOM 0 HG2 GLU B 40 -18.002 2.999 -7.833 1.00 1.34 H new ATOM 0 HG3 GLU B 40 -16.484 3.559 -8.507 1.00 1.34 H new ATOM 2274 N LEU B 41 -14.347 -0.553 -7.223 1.00 0.82 N ATOM 2275 CA LEU B 41 -13.792 -1.824 -6.785 1.00 0.76 C ATOM 2276 C LEU B 41 -13.349 -1.727 -5.326 1.00 0.66 C ATOM 2277 O LEU B 41 -13.898 -2.429 -4.480 1.00 0.77 O ATOM 2278 CB LEU B 41 -12.646 -2.266 -7.711 1.00 0.88 C ATOM 2279 CG LEU B 41 -13.130 -3.273 -8.767 1.00 1.10 C ATOM 2280 CD1 LEU B 41 -14.203 -2.684 -9.690 1.00 2.03 C ATOM 2281 CD2 LEU B 41 -11.944 -3.751 -9.611 1.00 2.55 C ATOM 0 H LEU B 41 -13.807 -0.091 -7.955 1.00 0.82 H new ATOM 0 HA LEU B 41 -14.563 -2.592 -6.846 1.00 0.76 H new ATOM 0 HB2 LEU B 41 -12.221 -1.393 -8.207 1.00 0.88 H new ATOM 0 HB3 LEU B 41 -11.850 -2.715 -7.117 1.00 0.88 H new ATOM 0 HG LEU B 41 -13.578 -4.110 -8.231 1.00 1.10 H new ATOM 0 HD11 LEU B 41 -14.510 -3.436 -10.417 1.00 2.03 H new ATOM 0 HD12 LEU B 41 -15.065 -2.379 -9.097 1.00 2.03 H new ATOM 0 HD13 LEU B 41 -13.797 -1.818 -10.213 1.00 2.03 H new ATOM 0 HD21 LEU B 41 -12.293 -4.464 -10.358 1.00 2.55 H new ATOM 0 HD22 LEU B 41 -11.486 -2.898 -10.111 1.00 2.55 H new ATOM 0 HD23 LEU B 41 -11.209 -4.232 -8.966 1.00 2.55 H new ATOM 2293 N VAL B 42 -12.394 -0.845 -4.998 1.00 0.64 N ATOM 2294 CA VAL B 42 -11.827 -0.837 -3.655 1.00 0.63 C ATOM 2295 C VAL B 42 -12.948 -0.632 -2.632 1.00 0.77 C ATOM 2296 O VAL B 42 -13.029 -1.385 -1.671 1.00 0.82 O ATOM 2297 CB VAL B 42 -10.617 0.110 -3.465 1.00 0.69 C ATOM 2298 CG1 VAL B 42 -11.006 1.591 -3.491 1.00 1.96 C ATOM 2299 CG2 VAL B 42 -9.916 -0.231 -2.148 1.00 2.34 C ATOM 0 H VAL B 42 -12.009 -0.145 -5.633 1.00 0.64 H new ATOM 0 HA VAL B 42 -11.378 -1.815 -3.482 1.00 0.63 H new ATOM 0 HB VAL B 42 -9.942 -0.045 -4.307 1.00 0.69 H new ATOM 0 HG11 VAL B 42 -10.115 2.204 -3.353 1.00 1.96 H new ATOM 0 HG12 VAL B 42 -11.465 1.830 -4.450 1.00 1.96 H new ATOM 0 HG13 VAL B 42 -11.715 1.795 -2.689 1.00 1.96 H new ATOM 0 HG21 VAL B 42 -9.063 0.432 -2.008 1.00 2.34 H new ATOM 0 HG22 VAL B 42 -10.614 -0.104 -1.321 1.00 2.34 H new ATOM 0 HG23 VAL B 42 -9.571 -1.265 -2.176 1.00 2.34 H new ATOM 2309 N THR B 43 -13.864 0.319 -2.844 1.00 0.92 N ATOM 2310 CA THR B 43 -14.947 0.513 -1.889 1.00 1.11 C ATOM 2311 C THR B 43 -15.725 -0.799 -1.705 1.00 1.13 C ATOM 2312 O THR B 43 -15.923 -1.238 -0.574 1.00 1.28 O ATOM 2313 CB THR B 43 -15.812 1.738 -2.250 1.00 1.31 C ATOM 2314 OG1 THR B 43 -16.431 2.276 -1.102 1.00 1.58 O ATOM 2315 CG2 THR B 43 -16.900 1.468 -3.290 1.00 1.55 C ATOM 0 H THR B 43 -13.875 0.948 -3.647 1.00 0.92 H new ATOM 0 HA THR B 43 -14.535 0.758 -0.910 1.00 1.11 H new ATOM 0 HB THR B 43 -15.107 2.443 -2.690 1.00 1.31 H new ATOM 0 HG1 THR B 43 -16.972 3.052 -1.356 1.00 1.58 H new ATOM 0 HG21 THR B 43 -17.457 2.385 -3.481 1.00 1.55 H new ATOM 0 HG22 THR B 43 -16.440 1.123 -4.216 1.00 1.55 H new ATOM 0 HG23 THR B 43 -17.579 0.702 -2.915 1.00 1.55 H new ATOM 2323 N GLN B 44 -16.112 -1.465 -2.802 1.00 1.11 N ATOM 2324 CA GLN B 44 -16.854 -2.721 -2.712 1.00 1.22 C ATOM 2325 C GLN B 44 -16.046 -3.809 -2.003 1.00 1.15 C ATOM 2326 O GLN B 44 -16.627 -4.633 -1.302 1.00 1.20 O ATOM 2327 CB GLN B 44 -17.306 -3.186 -4.101 1.00 1.29 C ATOM 2328 CG GLN B 44 -18.492 -2.351 -4.599 1.00 1.97 C ATOM 2329 CD GLN B 44 -18.878 -2.742 -6.021 1.00 2.55 C ATOM 2330 OE1 GLN B 44 -19.915 -3.357 -6.246 1.00 3.53 O ATOM 2331 NE2 GLN B 44 -18.042 -2.386 -6.987 1.00 3.10 N ATOM 0 H GLN B 44 -15.923 -1.154 -3.755 1.00 1.11 H new ATOM 0 HA GLN B 44 -17.742 -2.535 -2.108 1.00 1.22 H new ATOM 0 HB2 GLN B 44 -16.477 -3.103 -4.804 1.00 1.29 H new ATOM 0 HB3 GLN B 44 -17.588 -4.238 -4.063 1.00 1.29 H new ATOM 0 HG2 GLN B 44 -19.345 -2.492 -3.935 1.00 1.97 H new ATOM 0 HG3 GLN B 44 -18.235 -1.292 -4.566 1.00 1.97 H new ATOM 0 HE21 GLN B 44 -17.189 -1.875 -6.760 1.00 3.10 H new ATOM 0 HE22 GLN B 44 -18.252 -2.623 -7.957 1.00 3.10 H new ATOM 2340 N GLN B 45 -14.722 -3.820 -2.170 1.00 1.09 N ATOM 2341 CA GLN B 45 -13.836 -4.772 -1.510 1.00 1.09 C ATOM 2342 C GLN B 45 -13.821 -4.629 0.013 1.00 1.10 C ATOM 2343 O GLN B 45 -13.401 -5.576 0.684 1.00 1.12 O ATOM 2344 CB GLN B 45 -12.408 -4.647 -2.047 1.00 1.16 C ATOM 2345 CG GLN B 45 -12.131 -5.525 -3.275 1.00 0.93 C ATOM 2346 CD GLN B 45 -12.966 -5.236 -4.520 1.00 1.09 C ATOM 2347 OE1 GLN B 45 -12.454 -4.695 -5.494 1.00 1.75 O ATOM 2348 NE2 GLN B 45 -14.233 -5.642 -4.537 1.00 1.72 N ATOM 0 H GLN B 45 -14.233 -3.160 -2.774 1.00 1.09 H new ATOM 0 HA GLN B 45 -14.236 -5.760 -1.739 1.00 1.09 H new ATOM 0 HB2 GLN B 45 -12.216 -3.606 -2.305 1.00 1.16 H new ATOM 0 HB3 GLN B 45 -11.707 -4.913 -1.256 1.00 1.16 H new ATOM 0 HG2 GLN B 45 -11.078 -5.421 -3.538 1.00 0.93 H new ATOM 0 HG3 GLN B 45 -12.288 -6.566 -2.993 1.00 0.93 H new ATOM 0 HE21 GLN B 45 -14.636 -6.090 -3.714 1.00 1.72 H new ATOM 0 HE22 GLN B 45 -14.801 -5.506 -5.373 1.00 1.72 H new ATOM 2357 N LEU B 46 -14.253 -3.483 0.556 1.00 1.15 N ATOM 2358 CA LEU B 46 -14.322 -3.249 1.993 1.00 1.23 C ATOM 2359 C LEU B 46 -15.786 -3.221 2.481 1.00 1.23 C ATOM 2360 O LEU B 46 -16.209 -2.244 3.105 1.00 1.31 O ATOM 2361 CB LEU B 46 -13.574 -1.938 2.318 1.00 1.32 C ATOM 2362 CG LEU B 46 -12.045 -2.034 2.125 1.00 1.39 C ATOM 2363 CD1 LEU B 46 -11.514 -1.623 0.751 1.00 1.38 C ATOM 2364 CD2 LEU B 46 -11.325 -1.165 3.162 1.00 2.03 C ATOM 0 H LEU B 46 -14.566 -2.688 -0.001 1.00 1.15 H new ATOM 0 HA LEU B 46 -13.839 -4.068 2.525 1.00 1.23 H new ATOM 0 HB2 LEU B 46 -13.962 -1.141 1.684 1.00 1.32 H new ATOM 0 HB3 LEU B 46 -13.785 -1.656 3.350 1.00 1.32 H new ATOM 0 HG LEU B 46 -11.840 -3.098 2.240 1.00 1.39 H new ATOM 0 HD11 LEU B 46 -10.430 -1.731 0.733 1.00 1.38 H new ATOM 0 HD12 LEU B 46 -11.955 -2.260 -0.015 1.00 1.38 H new ATOM 0 HD13 LEU B 46 -11.778 -0.584 0.555 1.00 1.38 H new ATOM 0 HD21 LEU B 46 -10.248 -1.241 3.016 1.00 2.03 H new ATOM 0 HD22 LEU B 46 -11.635 -0.127 3.045 1.00 2.03 H new ATOM 0 HD23 LEU B 46 -11.580 -1.508 4.165 1.00 2.03 H new ATOM 2376 N PRO B 47 -16.578 -4.298 2.298 1.00 1.25 N ATOM 2377 CA PRO B 47 -17.992 -4.306 2.653 1.00 1.33 C ATOM 2378 C PRO B 47 -18.202 -4.298 4.170 1.00 1.45 C ATOM 2379 O PRO B 47 -19.327 -4.059 4.612 1.00 1.73 O ATOM 2380 CB PRO B 47 -18.569 -5.570 2.018 1.00 1.48 C ATOM 2381 CG PRO B 47 -17.397 -6.530 2.156 1.00 1.46 C ATOM 2382 CD PRO B 47 -16.190 -5.636 1.870 1.00 1.25 C ATOM 0 HA PRO B 47 -18.492 -3.409 2.289 1.00 1.33 H new ATOM 0 HB2 PRO B 47 -19.456 -5.926 2.542 1.00 1.48 H new ATOM 0 HB3 PRO B 47 -18.854 -5.415 0.977 1.00 1.48 H new ATOM 0 HG2 PRO B 47 -17.348 -6.968 3.153 1.00 1.46 H new ATOM 0 HG3 PRO B 47 -17.465 -7.356 1.448 1.00 1.46 H new ATOM 0 HD2 PRO B 47 -15.310 -5.981 2.413 1.00 1.25 H new ATOM 0 HD3 PRO B 47 -15.936 -5.649 0.810 1.00 1.25 H new ATOM 2390 N HIS B 48 -17.127 -4.510 4.940 1.00 1.54 N ATOM 2391 CA HIS B 48 -17.032 -4.367 6.386 1.00 1.61 C ATOM 2392 C HIS B 48 -17.849 -3.168 6.872 1.00 1.60 C ATOM 2393 O HIS B 48 -18.551 -3.291 7.879 1.00 2.37 O ATOM 2394 CB HIS B 48 -15.538 -4.188 6.714 1.00 1.70 C ATOM 2395 CG HIS B 48 -15.162 -3.767 8.120 1.00 1.97 C ATOM 2396 ND1 HIS B 48 -16.011 -3.431 9.154 1.00 3.44 N ATOM 2397 CD2 HIS B 48 -13.885 -3.487 8.534 1.00 2.00 C ATOM 2398 CE1 HIS B 48 -15.253 -2.962 10.162 1.00 3.78 C ATOM 2399 NE2 HIS B 48 -13.954 -2.967 9.828 1.00 2.89 N ATOM 0 H HIS B 48 -16.240 -4.807 4.532 1.00 1.54 H new ATOM 0 HA HIS B 48 -17.438 -5.243 6.892 1.00 1.61 H new ATOM 0 HB2 HIS B 48 -15.035 -5.131 6.503 1.00 1.70 H new ATOM 0 HB3 HIS B 48 -15.131 -3.448 6.024 1.00 1.70 H new ATOM 0 HD1 HIS B 48 -17.027 -3.521 9.154 1.00 3.44 H new ATOM 0 HD2 HIS B 48 -12.984 -3.642 7.960 1.00 2.00 H new ATOM 0 HE1 HIS B 48 -15.639 -2.626 11.113 1.00 3.78 H new ATOM 2407 N LEU B 49 -17.714 -2.017 6.198 1.00 1.43 N ATOM 2408 CA LEU B 49 -18.350 -0.768 6.613 1.00 1.30 C ATOM 2409 C LEU B 49 -18.283 0.334 5.543 1.00 1.19 C ATOM 2410 O LEU B 49 -19.180 1.168 5.510 1.00 1.28 O ATOM 2411 CB LEU B 49 -17.720 -0.286 7.931 1.00 1.32 C ATOM 2412 CG LEU B 49 -18.345 0.985 8.525 1.00 1.58 C ATOM 2413 CD1 LEU B 49 -19.853 0.853 8.776 1.00 2.24 C ATOM 2414 CD2 LEU B 49 -17.636 1.327 9.841 1.00 2.53 C ATOM 0 H LEU B 49 -17.158 -1.931 5.347 1.00 1.43 H new ATOM 0 HA LEU B 49 -19.410 -0.978 6.760 1.00 1.30 H new ATOM 0 HB2 LEU B 49 -17.796 -1.087 8.666 1.00 1.32 H new ATOM 0 HB3 LEU B 49 -16.658 -0.106 7.764 1.00 1.32 H new ATOM 0 HG LEU B 49 -18.214 1.782 7.793 1.00 1.58 H new ATOM 0 HD11 LEU B 49 -20.235 1.784 9.196 1.00 2.24 H new ATOM 0 HD12 LEU B 49 -20.362 0.644 7.835 1.00 2.24 H new ATOM 0 HD13 LEU B 49 -20.035 0.037 9.476 1.00 2.24 H new ATOM 0 HD21 LEU B 49 -18.076 2.229 10.267 1.00 2.53 H new ATOM 0 HD22 LEU B 49 -17.752 0.500 10.542 1.00 2.53 H new ATOM 0 HD23 LEU B 49 -16.576 1.495 9.650 1.00 2.53 H new ATOM 2426 N LEU B 50 -17.231 0.351 4.706 1.00 1.38 N ATOM 2427 CA LEU B 50 -16.953 1.278 3.604 1.00 1.49 C ATOM 2428 C LEU B 50 -17.514 2.686 3.815 1.00 1.59 C ATOM 2429 O LEU B 50 -18.210 3.239 2.967 1.00 1.94 O ATOM 2430 CB LEU B 50 -17.297 0.640 2.245 1.00 1.87 C ATOM 2431 CG LEU B 50 -18.603 -0.175 2.200 1.00 2.18 C ATOM 2432 CD1 LEU B 50 -19.836 0.719 2.275 1.00 3.64 C ATOM 2433 CD2 LEU B 50 -18.648 -0.981 0.904 1.00 3.10 C ATOM 0 H LEU B 50 -16.491 -0.346 4.794 1.00 1.38 H new ATOM 0 HA LEU B 50 -15.877 1.452 3.594 1.00 1.49 H new ATOM 0 HB2 LEU B 50 -17.359 1.432 1.498 1.00 1.87 H new ATOM 0 HB3 LEU B 50 -16.474 -0.011 1.952 1.00 1.87 H new ATOM 0 HG LEU B 50 -18.614 -0.836 3.067 1.00 2.18 H new ATOM 0 HD11 LEU B 50 -20.735 0.103 2.240 1.00 3.64 H new ATOM 0 HD12 LEU B 50 -19.819 1.284 3.207 1.00 3.64 H new ATOM 0 HD13 LEU B 50 -19.837 1.410 1.432 1.00 3.64 H new ATOM 0 HD21 LEU B 50 -19.571 -1.560 0.867 1.00 3.10 H new ATOM 0 HD22 LEU B 50 -18.611 -0.302 0.052 1.00 3.10 H new ATOM 0 HD23 LEU B 50 -17.794 -1.657 0.866 1.00 3.10 H new ATOM 2445 N LYS B 51 -17.198 3.263 4.975 1.00 1.42 N ATOM 2446 CA LYS B 51 -17.820 4.507 5.407 1.00 1.63 C ATOM 2447 C LYS B 51 -17.204 5.749 4.758 1.00 1.55 C ATOM 2448 O LYS B 51 -17.949 6.642 4.369 1.00 1.97 O ATOM 2449 CB LYS B 51 -17.813 4.609 6.930 1.00 1.74 C ATOM 2450 CG LYS B 51 -16.421 4.334 7.520 1.00 1.63 C ATOM 2451 CD LYS B 51 -15.867 5.569 8.230 1.00 1.68 C ATOM 2452 CE LYS B 51 -16.371 5.766 9.662 1.00 2.33 C ATOM 2453 NZ LYS B 51 -17.796 6.151 9.715 1.00 3.81 N ATOM 0 H LYS B 51 -16.514 2.885 5.630 1.00 1.42 H new ATOM 0 HA LYS B 51 -18.854 4.477 5.063 1.00 1.63 H new ATOM 0 HB2 LYS B 51 -18.143 5.604 7.228 1.00 1.74 H new ATOM 0 HB3 LYS B 51 -18.529 3.899 7.344 1.00 1.74 H new ATOM 0 HG2 LYS B 51 -16.479 3.503 8.223 1.00 1.63 H new ATOM 0 HG3 LYS B 51 -15.739 4.032 6.725 1.00 1.63 H new ATOM 0 HD2 LYS B 51 -14.779 5.503 8.248 1.00 1.68 H new ATOM 0 HD3 LYS B 51 -16.123 6.452 7.645 1.00 1.68 H new ATOM 0 HE2 LYS B 51 -16.227 4.843 10.224 1.00 2.33 H new ATOM 0 HE3 LYS B 51 -15.772 6.534 10.151 1.00 2.33 H new ATOM 0 HZ1 LYS B 51 -18.006 6.578 10.640 1.00 3.81 H new ATOM 0 HZ2 LYS B 51 -17.998 6.839 8.962 1.00 3.81 H new ATOM 0 HZ3 LYS B 51 -18.389 5.307 9.581 1.00 3.81 H new ATOM 2467 N ASP B 52 -15.867 5.825 4.701 1.00 1.14 N ATOM 2468 CA ASP B 52 -15.123 6.903 4.061 1.00 1.01 C ATOM 2469 C ASP B 52 -15.538 8.291 4.560 1.00 0.96 C ATOM 2470 O ASP B 52 -16.357 8.975 3.955 1.00 1.15 O ATOM 2471 CB ASP B 52 -15.133 6.720 2.534 1.00 1.34 C ATOM 2472 CG ASP B 52 -14.005 5.809 2.059 1.00 2.03 C ATOM 2473 OD1 ASP B 52 -13.852 4.727 2.665 1.00 2.24 O ATOM 2474 OD2 ASP B 52 -13.278 6.232 1.127 1.00 3.28 O ATOM 0 H ASP B 52 -15.262 5.114 5.113 1.00 1.14 H new ATOM 0 HA ASP B 52 -14.078 6.840 4.364 1.00 1.01 H new ATOM 0 HB2 ASP B 52 -16.091 6.301 2.226 1.00 1.34 H new ATOM 0 HB3 ASP B 52 -15.040 7.693 2.052 1.00 1.34 H new ATOM 2479 N VAL B 53 -14.915 8.733 5.659 1.00 1.00 N ATOM 2480 CA VAL B 53 -14.954 10.117 6.113 1.00 1.15 C ATOM 2481 C VAL B 53 -13.519 10.576 6.345 1.00 1.23 C ATOM 2482 O VAL B 53 -12.709 9.806 6.856 1.00 1.72 O ATOM 2483 CB VAL B 53 -15.812 10.273 7.381 1.00 1.73 C ATOM 2484 CG1 VAL B 53 -17.263 9.891 7.077 1.00 2.88 C ATOM 2485 CG2 VAL B 53 -15.283 9.476 8.582 1.00 2.95 C ATOM 0 H VAL B 53 -14.362 8.125 6.263 1.00 1.00 H new ATOM 0 HA VAL B 53 -15.423 10.742 5.354 1.00 1.15 H new ATOM 0 HB VAL B 53 -15.757 11.322 7.671 1.00 1.73 H new ATOM 0 HG11 VAL B 53 -17.865 10.003 7.978 1.00 2.88 H new ATOM 0 HG12 VAL B 53 -17.655 10.542 6.295 1.00 2.88 H new ATOM 0 HG13 VAL B 53 -17.304 8.855 6.740 1.00 2.88 H new ATOM 0 HG21 VAL B 53 -15.937 9.633 9.440 1.00 2.95 H new ATOM 0 HG22 VAL B 53 -15.260 8.415 8.333 1.00 2.95 H new ATOM 0 HG23 VAL B 53 -14.276 9.813 8.827 1.00 2.95 H new ATOM 2495 N GLY B 54 -13.216 11.816 5.960 1.00 1.24 N ATOM 2496 CA GLY B 54 -11.887 12.398 6.056 1.00 1.54 C ATOM 2497 C GLY B 54 -11.334 12.650 4.657 1.00 1.22 C ATOM 2498 O GLY B 54 -11.852 13.504 3.939 1.00 1.56 O ATOM 0 H GLY B 54 -13.907 12.454 5.565 1.00 1.24 H new ATOM 0 HA2 GLY B 54 -11.928 13.333 6.615 1.00 1.54 H new ATOM 0 HA3 GLY B 54 -11.225 11.728 6.604 1.00 1.54 H new ATOM 2502 N SER B 55 -10.313 11.893 4.247 1.00 0.98 N ATOM 2503 CA SER B 55 -9.689 12.054 2.942 1.00 1.04 C ATOM 2504 C SER B 55 -10.649 11.702 1.808 1.00 1.01 C ATOM 2505 O SER B 55 -10.398 12.097 0.676 1.00 1.25 O ATOM 2506 CB SER B 55 -8.361 11.300 2.853 1.00 1.37 C ATOM 2507 OG SER B 55 -7.374 12.001 3.597 1.00 1.86 O ATOM 0 H SER B 55 -9.900 11.153 4.814 1.00 0.98 H new ATOM 0 HA SER B 55 -9.449 13.110 2.821 1.00 1.04 H new ATOM 0 HB2 SER B 55 -8.477 10.289 3.243 1.00 1.37 H new ATOM 0 HB3 SER B 55 -8.051 11.207 1.812 1.00 1.37 H new ATOM 0 HG SER B 55 -7.771 12.344 4.425 1.00 1.86 H new ATOM 2513 N LEU B 56 -11.753 11.001 2.100 1.00 0.87 N ATOM 2514 CA LEU B 56 -12.855 10.805 1.166 1.00 0.87 C ATOM 2515 C LEU B 56 -13.102 12.058 0.345 1.00 0.91 C ATOM 2516 O LEU B 56 -13.186 11.965 -0.871 1.00 0.99 O ATOM 2517 CB LEU B 56 -14.130 10.455 1.935 1.00 0.93 C ATOM 2518 CG LEU B 56 -15.395 10.286 1.061 1.00 1.42 C ATOM 2519 CD1 LEU B 56 -16.114 11.593 0.693 1.00 1.81 C ATOM 2520 CD2 LEU B 56 -15.191 9.415 -0.189 1.00 2.34 C ATOM 0 H LEU B 56 -11.902 10.551 3.003 1.00 0.87 H new ATOM 0 HA LEU B 56 -12.587 9.990 0.494 1.00 0.87 H new ATOM 0 HB2 LEU B 56 -13.961 9.530 2.486 1.00 0.93 H new ATOM 0 HB3 LEU B 56 -14.318 11.236 2.672 1.00 0.93 H new ATOM 0 HG LEU B 56 -16.060 9.744 1.733 1.00 1.42 H new ATOM 0 HD11 LEU B 56 -16.987 11.368 0.080 1.00 1.81 H new ATOM 0 HD12 LEU B 56 -16.431 12.102 1.603 1.00 1.81 H new ATOM 0 HD13 LEU B 56 -15.435 12.237 0.135 1.00 1.81 H new ATOM 0 HD21 LEU B 56 -16.127 9.349 -0.744 1.00 2.34 H new ATOM 0 HD22 LEU B 56 -14.424 9.861 -0.822 1.00 2.34 H new ATOM 0 HD23 LEU B 56 -14.877 8.416 0.111 1.00 2.34 H new ATOM 2532 N ASP B 57 -13.218 13.213 0.997 1.00 1.00 N ATOM 2533 CA ASP B 57 -13.482 14.471 0.305 1.00 1.16 C ATOM 2534 C ASP B 57 -12.495 14.687 -0.858 1.00 1.18 C ATOM 2535 O ASP B 57 -12.888 14.842 -2.018 1.00 1.34 O ATOM 2536 CB ASP B 57 -13.443 15.615 1.325 1.00 1.33 C ATOM 2537 CG ASP B 57 -13.783 16.949 0.680 1.00 2.25 C ATOM 2538 OD1 ASP B 57 -14.746 16.979 -0.110 1.00 3.10 O ATOM 2539 OD2 ASP B 57 -13.054 17.929 0.944 1.00 3.32 O ATOM 0 H ASP B 57 -13.133 13.303 2.009 1.00 1.00 H new ATOM 0 HA ASP B 57 -14.474 14.442 -0.145 1.00 1.16 H new ATOM 0 HB2 ASP B 57 -14.148 15.409 2.131 1.00 1.33 H new ATOM 0 HB3 ASP B 57 -12.451 15.669 1.775 1.00 1.33 H new ATOM 2544 N GLU B 58 -11.196 14.633 -0.549 1.00 1.15 N ATOM 2545 CA GLU B 58 -10.111 14.700 -1.521 1.00 1.30 C ATOM 2546 C GLU B 58 -10.243 13.598 -2.574 1.00 1.14 C ATOM 2547 O GLU B 58 -10.135 13.855 -3.773 1.00 1.31 O ATOM 2548 CB GLU B 58 -8.757 14.655 -0.799 1.00 1.48 C ATOM 2549 CG GLU B 58 -8.586 15.842 0.165 1.00 1.96 C ATOM 2550 CD GLU B 58 -8.563 17.177 -0.571 1.00 3.62 C ATOM 2551 OE1 GLU B 58 -9.664 17.736 -0.781 1.00 4.87 O ATOM 2552 OE2 GLU B 58 -7.451 17.606 -0.937 1.00 4.19 O ATOM 0 H GLU B 58 -10.866 14.539 0.411 1.00 1.15 H new ATOM 0 HA GLU B 58 -10.173 15.648 -2.056 1.00 1.30 H new ATOM 0 HB2 GLU B 58 -8.671 13.721 -0.244 1.00 1.48 H new ATOM 0 HB3 GLU B 58 -7.952 14.664 -1.534 1.00 1.48 H new ATOM 0 HG2 GLU B 58 -9.401 15.841 0.889 1.00 1.96 H new ATOM 0 HG3 GLU B 58 -7.660 15.722 0.727 1.00 1.96 H new ATOM 2559 N LYS B 59 -10.483 12.367 -2.126 1.00 0.90 N ATOM 2560 CA LYS B 59 -10.589 11.199 -2.982 1.00 0.82 C ATOM 2561 C LYS B 59 -11.688 11.386 -4.032 1.00 0.84 C ATOM 2562 O LYS B 59 -11.436 11.257 -5.227 1.00 0.90 O ATOM 2563 CB LYS B 59 -10.759 9.933 -2.110 1.00 0.81 C ATOM 2564 CG LYS B 59 -9.607 8.967 -2.394 1.00 0.85 C ATOM 2565 CD LYS B 59 -9.257 7.978 -1.276 1.00 1.01 C ATOM 2566 CE LYS B 59 -10.326 6.969 -0.856 1.00 1.26 C ATOM 2567 NZ LYS B 59 -11.090 7.432 0.328 1.00 1.54 N ATOM 0 H LYS B 59 -10.611 12.155 -1.137 1.00 0.90 H new ATOM 0 HA LYS B 59 -9.669 11.067 -3.552 1.00 0.82 H new ATOM 0 HB2 LYS B 59 -10.771 10.203 -1.054 1.00 0.81 H new ATOM 0 HB3 LYS B 59 -11.713 9.453 -2.327 1.00 0.81 H new ATOM 0 HG2 LYS B 59 -9.852 8.397 -3.290 1.00 0.85 H new ATOM 0 HG3 LYS B 59 -8.717 9.554 -2.622 1.00 0.85 H new ATOM 0 HD2 LYS B 59 -8.374 7.420 -1.587 1.00 1.01 H new ATOM 0 HD3 LYS B 59 -8.976 8.555 -0.395 1.00 1.01 H new ATOM 0 HE2 LYS B 59 -11.011 6.800 -1.687 1.00 1.26 H new ATOM 0 HE3 LYS B 59 -9.854 6.012 -0.632 1.00 1.26 H new ATOM 0 HZ1 LYS B 59 -11.619 6.634 0.734 1.00 1.54 H new ATOM 0 HZ2 LYS B 59 -10.432 7.809 1.040 1.00 1.54 H new ATOM 0 HZ3 LYS B 59 -11.756 8.178 0.042 1.00 1.54 H new ATOM 2581 N MET B 60 -12.900 11.717 -3.590 1.00 0.86 N ATOM 2582 CA MET B 60 -14.033 12.010 -4.446 1.00 0.90 C ATOM 2583 C MET B 60 -13.615 12.982 -5.544 1.00 0.92 C ATOM 2584 O MET B 60 -13.774 12.659 -6.717 1.00 0.94 O ATOM 2585 CB MET B 60 -15.217 12.526 -3.612 1.00 0.99 C ATOM 2586 CG MET B 60 -16.460 12.800 -4.473 1.00 1.13 C ATOM 2587 SD MET B 60 -16.474 14.377 -5.370 1.00 2.33 S ATOM 2588 CE MET B 60 -17.882 14.116 -6.471 1.00 2.66 C ATOM 0 H MET B 60 -13.120 11.789 -2.597 1.00 0.86 H new ATOM 0 HA MET B 60 -14.371 11.096 -4.935 1.00 0.90 H new ATOM 0 HB2 MET B 60 -15.464 11.794 -2.844 1.00 0.99 H new ATOM 0 HB3 MET B 60 -14.925 13.441 -3.098 1.00 0.99 H new ATOM 0 HG2 MET B 60 -16.561 11.992 -5.197 1.00 1.13 H new ATOM 0 HG3 MET B 60 -17.339 12.763 -3.829 1.00 1.13 H new ATOM 0 HE1 MET B 60 -18.026 14.999 -7.094 1.00 2.66 H new ATOM 0 HE2 MET B 60 -17.692 13.251 -7.106 1.00 2.66 H new ATOM 0 HE3 MET B 60 -18.780 13.940 -5.878 1.00 2.66 H new ATOM 2598 N LYS B 61 -13.055 14.137 -5.171 1.00 0.98 N ATOM 2599 CA LYS B 61 -12.637 15.133 -6.155 1.00 1.08 C ATOM 2600 C LYS B 61 -11.636 14.514 -7.130 1.00 1.08 C ATOM 2601 O LYS B 61 -11.819 14.562 -8.345 1.00 1.21 O ATOM 2602 CB LYS B 61 -11.981 16.329 -5.462 1.00 1.19 C ATOM 2603 CG LYS B 61 -12.914 17.082 -4.509 1.00 2.23 C ATOM 2604 CD LYS B 61 -12.017 17.686 -3.428 1.00 1.90 C ATOM 2605 CE LYS B 61 -12.791 18.517 -2.402 1.00 2.48 C ATOM 2606 NZ LYS B 61 -11.962 18.813 -1.213 1.00 2.30 N ATOM 0 H LYS B 61 -12.883 14.402 -4.201 1.00 0.98 H new ATOM 0 HA LYS B 61 -13.521 15.471 -6.696 1.00 1.08 H new ATOM 0 HB2 LYS B 61 -11.111 15.981 -4.904 1.00 1.19 H new ATOM 0 HB3 LYS B 61 -11.617 17.021 -6.221 1.00 1.19 H new ATOM 0 HG2 LYS B 61 -13.466 17.860 -5.037 1.00 2.23 H new ATOM 0 HG3 LYS B 61 -13.651 16.409 -4.072 1.00 2.23 H new ATOM 0 HD2 LYS B 61 -11.488 16.884 -2.913 1.00 1.90 H new ATOM 0 HD3 LYS B 61 -11.261 18.314 -3.900 1.00 1.90 H new ATOM 0 HE2 LYS B 61 -13.119 19.450 -2.860 1.00 2.48 H new ATOM 0 HE3 LYS B 61 -13.688 17.978 -2.097 1.00 2.48 H new ATOM 0 HZ1 LYS B 61 -12.573 18.899 -0.376 1.00 2.30 H new ATOM 0 HZ2 LYS B 61 -11.279 18.042 -1.065 1.00 2.30 H new ATOM 0 HZ3 LYS B 61 -11.449 19.706 -1.361 1.00 2.30 H new ATOM 2620 N SER B 62 -10.570 13.942 -6.568 1.00 1.00 N ATOM 2621 CA SER B 62 -9.504 13.270 -7.304 1.00 1.00 C ATOM 2622 C SER B 62 -10.074 12.355 -8.394 1.00 0.98 C ATOM 2623 O SER B 62 -9.644 12.425 -9.545 1.00 1.11 O ATOM 2624 CB SER B 62 -8.589 12.519 -6.325 1.00 1.05 C ATOM 2625 OG SER B 62 -7.412 12.072 -6.968 1.00 1.57 O ATOM 0 H SER B 62 -10.423 13.935 -5.559 1.00 1.00 H new ATOM 0 HA SER B 62 -8.899 14.017 -7.818 1.00 1.00 H new ATOM 0 HB2 SER B 62 -8.327 13.173 -5.493 1.00 1.05 H new ATOM 0 HB3 SER B 62 -9.123 11.667 -5.904 1.00 1.05 H new ATOM 0 HG SER B 62 -6.846 11.599 -6.323 1.00 1.57 H new ATOM 2631 N LEU B 63 -11.067 11.520 -8.060 1.00 0.91 N ATOM 2632 CA LEU B 63 -11.751 10.728 -9.076 1.00 0.95 C ATOM 2633 C LEU B 63 -12.509 11.659 -10.029 1.00 1.01 C ATOM 2634 O LEU B 63 -12.268 11.636 -11.234 1.00 1.04 O ATOM 2635 CB LEU B 63 -12.679 9.660 -8.462 1.00 0.98 C ATOM 2636 CG LEU B 63 -12.043 8.540 -7.612 1.00 1.02 C ATOM 2637 CD1 LEU B 63 -10.585 8.705 -7.151 1.00 1.05 C ATOM 2638 CD2 LEU B 63 -12.890 8.363 -6.349 1.00 1.31 C ATOM 0 H LEU B 63 -11.406 11.380 -7.108 1.00 0.91 H new ATOM 0 HA LEU B 63 -10.999 10.179 -9.643 1.00 0.95 H new ATOM 0 HB2 LEU B 63 -13.412 10.174 -7.840 1.00 0.98 H new ATOM 0 HB3 LEU B 63 -13.228 9.188 -9.277 1.00 0.98 H new ATOM 0 HG LEU B 63 -12.022 7.689 -8.293 1.00 1.02 H new ATOM 0 HD11 LEU B 63 -10.288 7.835 -6.565 1.00 1.05 H new ATOM 0 HD12 LEU B 63 -9.936 8.795 -8.022 1.00 1.05 H new ATOM 0 HD13 LEU B 63 -10.496 9.602 -6.539 1.00 1.05 H new ATOM 0 HD21 LEU B 63 -12.460 7.575 -5.730 1.00 1.31 H new ATOM 0 HD22 LEU B 63 -12.906 9.297 -5.788 1.00 1.31 H new ATOM 0 HD23 LEU B 63 -13.908 8.090 -6.629 1.00 1.31 H new ATOM 2650 N ASP B 64 -13.428 12.463 -9.490 1.00 1.07 N ATOM 2651 CA ASP B 64 -14.374 13.296 -10.228 1.00 1.20 C ATOM 2652 C ASP B 64 -13.738 14.003 -11.429 1.00 1.26 C ATOM 2653 O ASP B 64 -14.286 13.940 -12.528 1.00 1.38 O ATOM 2654 CB ASP B 64 -15.017 14.299 -9.264 1.00 1.26 C ATOM 2655 CG ASP B 64 -16.142 15.073 -9.931 1.00 1.48 C ATOM 2656 OD1 ASP B 64 -17.278 14.552 -9.895 1.00 2.30 O ATOM 2657 OD2 ASP B 64 -15.847 16.176 -10.436 1.00 1.46 O ATOM 0 H ASP B 64 -13.536 12.554 -8.480 1.00 1.07 H new ATOM 0 HA ASP B 64 -15.142 12.645 -10.646 1.00 1.20 H new ATOM 0 HB2 ASP B 64 -15.405 13.770 -8.393 1.00 1.26 H new ATOM 0 HB3 ASP B 64 -14.260 14.995 -8.903 1.00 1.26 H new ATOM 2662 N VAL B 65 -12.560 14.611 -11.222 1.00 1.22 N ATOM 2663 CA VAL B 65 -11.826 15.403 -12.217 1.00 1.29 C ATOM 2664 C VAL B 65 -11.900 14.792 -13.618 1.00 1.36 C ATOM 2665 O VAL B 65 -12.452 15.391 -14.538 1.00 1.49 O ATOM 2666 CB VAL B 65 -10.356 15.551 -11.772 1.00 1.35 C ATOM 2667 CG1 VAL B 65 -9.432 16.103 -12.868 1.00 1.86 C ATOM 2668 CG2 VAL B 65 -10.265 16.505 -10.588 1.00 1.58 C ATOM 0 H VAL B 65 -12.077 14.562 -10.325 1.00 1.22 H new ATOM 0 HA VAL B 65 -12.297 16.384 -12.276 1.00 1.29 H new ATOM 0 HB VAL B 65 -10.026 14.544 -11.518 1.00 1.35 H new ATOM 0 HG11 VAL B 65 -8.415 16.179 -12.482 1.00 1.86 H new ATOM 0 HG12 VAL B 65 -9.445 15.432 -13.727 1.00 1.86 H new ATOM 0 HG13 VAL B 65 -9.779 17.090 -13.174 1.00 1.86 H new ATOM 0 HG21 VAL B 65 -9.224 16.604 -10.280 1.00 1.58 H new ATOM 0 HG22 VAL B 65 -10.652 17.482 -10.877 1.00 1.58 H new ATOM 0 HG23 VAL B 65 -10.853 16.113 -9.758 1.00 1.58 H new ATOM 2678 N ASN B 66 -11.298 13.613 -13.782 1.00 1.34 N ATOM 2679 CA ASN B 66 -11.301 12.872 -15.047 1.00 1.43 C ATOM 2680 C ASN B 66 -11.215 11.380 -14.749 1.00 1.37 C ATOM 2681 O ASN B 66 -10.293 10.698 -15.191 1.00 1.42 O ATOM 2682 CB ASN B 66 -10.135 13.300 -15.961 1.00 1.56 C ATOM 2683 CG ASN B 66 -10.291 14.699 -16.548 1.00 1.66 C ATOM 2684 OD1 ASN B 66 -9.541 15.610 -16.212 1.00 2.06 O ATOM 2685 ND2 ASN B 66 -11.242 14.880 -17.461 1.00 2.95 N ATOM 0 H ASN B 66 -10.790 13.140 -13.035 1.00 1.34 H new ATOM 0 HA ASN B 66 -12.227 13.095 -15.577 1.00 1.43 H new ATOM 0 HB2 ASN B 66 -9.206 13.257 -15.393 1.00 1.56 H new ATOM 0 HB3 ASN B 66 -10.043 12.583 -16.777 1.00 1.56 H new ATOM 0 HD21 ASN B 66 -11.361 15.793 -17.900 1.00 2.95 H new ATOM 0 HD22 ASN B 66 -11.852 14.106 -17.722 1.00 2.95 H new ATOM 2692 N GLN B 67 -12.184 10.868 -13.995 1.00 1.27 N ATOM 2693 CA GLN B 67 -12.128 9.525 -13.440 1.00 1.11 C ATOM 2694 C GLN B 67 -11.947 8.427 -14.485 1.00 1.29 C ATOM 2695 O GLN B 67 -11.322 7.401 -14.222 1.00 1.26 O ATOM 2696 CB GLN B 67 -13.345 9.205 -12.571 1.00 1.12 C ATOM 2697 CG GLN B 67 -14.631 10.018 -12.815 1.00 1.40 C ATOM 2698 CD GLN B 67 -15.234 9.897 -14.213 1.00 1.89 C ATOM 2699 OE1 GLN B 67 -14.685 10.396 -15.189 1.00 3.07 O ATOM 2700 NE2 GLN B 67 -16.384 9.235 -14.335 1.00 3.24 N ATOM 0 H GLN B 67 -13.033 11.378 -13.752 1.00 1.27 H new ATOM 0 HA GLN B 67 -11.233 9.531 -12.818 1.00 1.11 H new ATOM 0 HB2 GLN B 67 -13.584 8.150 -12.704 1.00 1.12 H new ATOM 0 HB3 GLN B 67 -13.057 9.337 -11.528 1.00 1.12 H new ATOM 0 HG2 GLN B 67 -15.380 9.706 -12.088 1.00 1.40 H new ATOM 0 HG3 GLN B 67 -14.417 11.069 -12.621 1.00 1.40 H new ATOM 0 HE21 GLN B 67 -16.827 8.826 -13.512 1.00 3.24 H new ATOM 0 HE22 GLN B 67 -16.821 9.137 -15.251 1.00 3.24 H new ATOM 2709 N ASP B 68 -12.561 8.636 -15.645 1.00 1.60 N ATOM 2710 CA ASP B 68 -12.394 7.808 -16.830 1.00 1.69 C ATOM 2711 C ASP B 68 -10.928 7.444 -17.102 1.00 1.65 C ATOM 2712 O ASP B 68 -10.635 6.310 -17.490 1.00 1.92 O ATOM 2713 CB ASP B 68 -13.006 8.546 -18.024 1.00 1.82 C ATOM 2714 CG ASP B 68 -12.796 7.769 -19.314 1.00 2.71 C ATOM 2715 OD1 ASP B 68 -13.608 6.852 -19.556 1.00 4.06 O ATOM 2716 OD2 ASP B 68 -11.831 8.113 -20.028 1.00 3.10 O ATOM 0 H ASP B 68 -13.208 9.411 -15.789 1.00 1.60 H new ATOM 0 HA ASP B 68 -12.907 6.861 -16.664 1.00 1.69 H new ATOM 0 HB2 ASP B 68 -14.072 8.695 -17.855 1.00 1.82 H new ATOM 0 HB3 ASP B 68 -12.556 9.535 -18.114 1.00 1.82 H new ATOM 2721 N SER B 69 -10.012 8.393 -16.863 1.00 1.48 N ATOM 2722 CA SER B 69 -8.580 8.191 -17.039 1.00 1.47 C ATOM 2723 C SER B 69 -8.105 6.906 -16.363 1.00 1.50 C ATOM 2724 O SER B 69 -8.692 6.452 -15.382 1.00 2.70 O ATOM 2725 CB SER B 69 -7.793 9.370 -16.457 1.00 1.44 C ATOM 2726 OG SER B 69 -8.254 10.591 -16.995 1.00 2.71 O ATOM 0 H SER B 69 -10.254 9.329 -16.539 1.00 1.48 H new ATOM 0 HA SER B 69 -8.400 8.115 -18.111 1.00 1.47 H new ATOM 0 HB2 SER B 69 -7.896 9.383 -15.372 1.00 1.44 H new ATOM 0 HB3 SER B 69 -6.732 9.248 -16.675 1.00 1.44 H new ATOM 0 HG SER B 69 -9.026 10.905 -16.480 1.00 2.71 H new ATOM 2732 N GLU B 70 -7.009 6.346 -16.872 1.00 0.93 N ATOM 2733 CA GLU B 70 -6.378 5.202 -16.239 1.00 0.85 C ATOM 2734 C GLU B 70 -5.576 5.635 -15.010 1.00 0.81 C ATOM 2735 O GLU B 70 -5.370 6.826 -14.777 1.00 0.96 O ATOM 2736 CB GLU B 70 -5.553 4.405 -17.250 1.00 0.98 C ATOM 2737 CG GLU B 70 -4.289 5.131 -17.713 1.00 2.68 C ATOM 2738 CD GLU B 70 -3.466 4.258 -18.646 1.00 2.92 C ATOM 2739 OE1 GLU B 70 -4.089 3.480 -19.402 1.00 2.37 O ATOM 2740 OE2 GLU B 70 -2.224 4.370 -18.548 1.00 4.35 O ATOM 0 H GLU B 70 -6.544 6.669 -17.720 1.00 0.93 H new ATOM 0 HA GLU B 70 -7.152 4.525 -15.877 1.00 0.85 H new ATOM 0 HB2 GLU B 70 -5.272 3.450 -16.806 1.00 0.98 H new ATOM 0 HB3 GLU B 70 -6.173 4.182 -18.118 1.00 0.98 H new ATOM 0 HG2 GLU B 70 -4.563 6.055 -18.222 1.00 2.68 H new ATOM 0 HG3 GLU B 70 -3.688 5.410 -16.847 1.00 2.68 H new ATOM 2747 N LEU B 71 -5.087 4.649 -14.260 1.00 1.03 N ATOM 2748 CA LEU B 71 -4.122 4.820 -13.182 1.00 1.19 C ATOM 2749 C LEU B 71 -3.077 3.710 -13.257 1.00 0.98 C ATOM 2750 O LEU B 71 -3.188 2.804 -14.084 1.00 0.95 O ATOM 2751 CB LEU B 71 -4.831 4.829 -11.823 1.00 1.47 C ATOM 2752 CG LEU B 71 -5.596 3.527 -11.537 1.00 1.58 C ATOM 2753 CD1 LEU B 71 -5.198 2.914 -10.193 1.00 2.20 C ATOM 2754 CD2 LEU B 71 -7.085 3.837 -11.501 1.00 2.53 C ATOM 0 H LEU B 71 -5.363 3.676 -14.393 1.00 1.03 H new ATOM 0 HA LEU B 71 -3.618 5.780 -13.294 1.00 1.19 H new ATOM 0 HB2 LEU B 71 -4.095 4.992 -11.036 1.00 1.47 H new ATOM 0 HB3 LEU B 71 -5.526 5.668 -11.787 1.00 1.47 H new ATOM 0 HG LEU B 71 -5.353 2.813 -12.324 1.00 1.58 H new ATOM 0 HD11 LEU B 71 -5.762 1.996 -10.031 1.00 2.20 H new ATOM 0 HD12 LEU B 71 -4.132 2.689 -10.197 1.00 2.20 H new ATOM 0 HD13 LEU B 71 -5.416 3.620 -9.392 1.00 2.20 H new ATOM 0 HD21 LEU B 71 -7.642 2.922 -11.299 1.00 2.53 H new ATOM 0 HD22 LEU B 71 -7.286 4.566 -10.716 1.00 2.53 H new ATOM 0 HD23 LEU B 71 -7.395 4.246 -12.463 1.00 2.53 H new ATOM 2766 N LYS B 72 -2.069 3.786 -12.384 1.00 0.96 N ATOM 2767 CA LYS B 72 -1.011 2.805 -12.188 1.00 0.98 C ATOM 2768 C LYS B 72 -1.015 2.429 -10.699 1.00 0.87 C ATOM 2769 O LYS B 72 -1.593 3.163 -9.887 1.00 0.70 O ATOM 2770 CB LYS B 72 0.353 3.405 -12.578 1.00 1.33 C ATOM 2771 CG LYS B 72 0.635 3.501 -14.086 1.00 1.91 C ATOM 2772 CD LYS B 72 -0.314 4.444 -14.839 1.00 1.74 C ATOM 2773 CE LYS B 72 0.321 4.970 -16.133 1.00 2.49 C ATOM 2774 NZ LYS B 72 -0.657 5.703 -16.963 1.00 3.03 N ATOM 0 H LYS B 72 -1.968 4.586 -11.759 1.00 0.96 H new ATOM 0 HA LYS B 72 -1.179 1.927 -12.812 1.00 0.98 H new ATOM 0 HB2 LYS B 72 0.425 4.405 -12.150 1.00 1.33 H new ATOM 0 HB3 LYS B 72 1.138 2.804 -12.118 1.00 1.33 H new ATOM 0 HG2 LYS B 72 1.660 3.841 -14.233 1.00 1.91 H new ATOM 0 HG3 LYS B 72 0.563 2.505 -14.523 1.00 1.91 H new ATOM 0 HD2 LYS B 72 -1.239 3.918 -15.075 1.00 1.74 H new ATOM 0 HD3 LYS B 72 -0.580 5.283 -14.196 1.00 1.74 H new ATOM 0 HE2 LYS B 72 1.155 5.627 -15.888 1.00 2.49 H new ATOM 0 HE3 LYS B 72 0.729 4.136 -16.703 1.00 2.49 H new ATOM 0 HZ1 LYS B 72 -0.174 6.115 -17.786 1.00 3.03 H new ATOM 0 HZ2 LYS B 72 -1.397 5.048 -17.288 1.00 3.03 H new ATOM 0 HZ3 LYS B 72 -1.090 6.462 -16.400 1.00 3.03 H new ATOM 2788 N PHE B 73 -0.355 1.325 -10.325 1.00 1.07 N ATOM 2789 CA PHE B 73 -0.364 0.826 -8.946 1.00 1.11 C ATOM 2790 C PHE B 73 0.028 1.932 -7.964 1.00 0.92 C ATOM 2791 O PHE B 73 -0.574 2.080 -6.903 1.00 0.75 O ATOM 2792 CB PHE B 73 0.510 -0.432 -8.773 1.00 1.61 C ATOM 2793 CG PHE B 73 1.977 -0.250 -9.108 1.00 1.54 C ATOM 2794 CD1 PHE B 73 2.830 0.441 -8.229 1.00 3.11 C ATOM 2795 CD2 PHE B 73 2.408 -0.494 -10.420 1.00 1.80 C ATOM 2796 CE1 PHE B 73 3.894 1.192 -8.756 1.00 3.91 C ATOM 2797 CE2 PHE B 73 3.460 0.257 -10.958 1.00 2.26 C ATOM 2798 CZ PHE B 73 4.147 1.168 -10.141 1.00 3.19 C ATOM 0 H PHE B 73 0.197 0.756 -10.967 1.00 1.07 H new ATOM 0 HA PHE B 73 -1.385 0.522 -8.717 1.00 1.11 H new ATOM 0 HB2 PHE B 73 0.429 -0.772 -7.741 1.00 1.61 H new ATOM 0 HB3 PHE B 73 0.106 -1.225 -9.402 1.00 1.61 H new ATOM 0 HD1 PHE B 73 2.669 0.395 -7.162 1.00 3.11 H new ATOM 0 HD2 PHE B 73 1.930 -1.259 -11.014 1.00 1.80 H new ATOM 0 HE1 PHE B 73 4.515 1.785 -8.102 1.00 3.91 H new ATOM 0 HE2 PHE B 73 3.741 0.136 -11.994 1.00 2.26 H new ATOM 0 HZ PHE B 73 4.867 1.848 -10.573 1.00 3.19 H new ATOM 2808 N ASN B 74 1.023 2.729 -8.349 1.00 1.06 N ATOM 2809 CA ASN B 74 1.515 3.886 -7.619 1.00 0.99 C ATOM 2810 C ASN B 74 0.380 4.806 -7.165 1.00 0.79 C ATOM 2811 O ASN B 74 0.392 5.338 -6.056 1.00 0.73 O ATOM 2812 CB ASN B 74 2.447 4.662 -8.557 1.00 1.34 C ATOM 2813 CG ASN B 74 2.845 5.997 -7.950 1.00 1.42 C ATOM 2814 OD1 ASN B 74 2.419 7.054 -8.414 1.00 2.29 O ATOM 2815 ND2 ASN B 74 3.658 5.956 -6.908 1.00 2.83 N ATOM 0 H ASN B 74 1.529 2.574 -9.221 1.00 1.06 H new ATOM 0 HA ASN B 74 2.033 3.544 -6.723 1.00 0.99 H new ATOM 0 HB2 ASN B 74 3.340 4.070 -8.759 1.00 1.34 H new ATOM 0 HB3 ASN B 74 1.951 4.827 -9.513 1.00 1.34 H new ATOM 0 HD21 ASN B 74 3.955 6.822 -6.458 1.00 2.83 H new ATOM 0 HD22 ASN B 74 3.989 5.058 -6.554 1.00 2.83 H new ATOM 2822 N GLU B 75 -0.557 5.053 -8.076 1.00 0.86 N ATOM 2823 CA GLU B 75 -1.591 6.054 -7.921 1.00 0.70 C ATOM 2824 C GLU B 75 -2.743 5.509 -7.092 1.00 0.51 C ATOM 2825 O GLU B 75 -3.211 6.173 -6.168 1.00 0.61 O ATOM 2826 CB GLU B 75 -1.994 6.572 -9.300 1.00 0.88 C ATOM 2827 CG GLU B 75 -0.740 6.736 -10.172 1.00 1.96 C ATOM 2828 CD GLU B 75 -0.955 7.726 -11.293 1.00 2.27 C ATOM 2829 OE1 GLU B 75 -0.738 8.920 -10.981 1.00 2.94 O ATOM 2830 OE2 GLU B 75 -1.324 7.273 -12.397 1.00 3.47 O ATOM 0 H GLU B 75 -0.614 4.548 -8.960 1.00 0.86 H new ATOM 0 HA GLU B 75 -1.220 6.912 -7.360 1.00 0.70 H new ATOM 0 HB2 GLU B 75 -2.690 5.878 -9.772 1.00 0.88 H new ATOM 0 HB3 GLU B 75 -2.511 7.527 -9.205 1.00 0.88 H new ATOM 0 HG2 GLU B 75 0.093 7.067 -9.551 1.00 1.96 H new ATOM 0 HG3 GLU B 75 -0.461 5.769 -10.591 1.00 1.96 H new ATOM 2837 N TYR B 76 -3.140 4.268 -7.388 1.00 0.50 N ATOM 2838 CA TYR B 76 -3.951 3.470 -6.477 1.00 0.58 C ATOM 2839 C TYR B 76 -3.404 3.614 -5.055 1.00 0.56 C ATOM 2840 O TYR B 76 -4.165 3.887 -4.128 1.00 0.64 O ATOM 2841 CB TYR B 76 -3.932 2.010 -6.952 1.00 0.79 C ATOM 2842 CG TYR B 76 -4.207 0.940 -5.906 1.00 1.15 C ATOM 2843 CD1 TYR B 76 -3.170 0.504 -5.059 1.00 2.63 C ATOM 2844 CD2 TYR B 76 -5.388 0.180 -5.984 1.00 2.26 C ATOM 2845 CE1 TYR B 76 -3.387 -0.547 -4.158 1.00 3.06 C ATOM 2846 CE2 TYR B 76 -5.557 -0.951 -5.170 1.00 2.37 C ATOM 2847 CZ TYR B 76 -4.558 -1.310 -4.251 1.00 2.05 C ATOM 2848 OH TYR B 76 -4.692 -2.431 -3.491 1.00 2.50 O ATOM 0 H TYR B 76 -2.908 3.795 -8.261 1.00 0.50 H new ATOM 0 HA TYR B 76 -4.985 3.815 -6.471 1.00 0.58 H new ATOM 0 HB2 TYR B 76 -4.669 1.903 -7.748 1.00 0.79 H new ATOM 0 HB3 TYR B 76 -2.955 1.810 -7.393 1.00 0.79 H new ATOM 0 HD1 TYR B 76 -2.203 0.982 -5.104 1.00 2.63 H new ATOM 0 HD2 TYR B 76 -6.168 0.468 -6.673 1.00 2.26 H new ATOM 0 HE1 TYR B 76 -2.655 -0.768 -3.395 1.00 3.06 H new ATOM 0 HE2 TYR B 76 -6.455 -1.545 -5.251 1.00 2.37 H new ATOM 0 HH TYR B 76 -4.495 -3.221 -4.036 1.00 2.50 H new ATOM 2858 N TRP B 77 -2.087 3.424 -4.907 1.00 0.50 N ATOM 2859 CA TRP B 77 -1.417 3.322 -3.624 1.00 0.46 C ATOM 2860 C TRP B 77 -1.863 4.408 -2.647 1.00 0.47 C ATOM 2861 O TRP B 77 -2.650 4.128 -1.744 1.00 0.49 O ATOM 2862 CB TRP B 77 0.104 3.275 -3.810 1.00 0.46 C ATOM 2863 CG TRP B 77 0.726 2.277 -2.926 1.00 0.46 C ATOM 2864 CD1 TRP B 77 1.071 2.524 -1.656 1.00 0.49 C ATOM 2865 CD2 TRP B 77 1.143 0.918 -3.215 1.00 0.51 C ATOM 2866 NE1 TRP B 77 1.593 1.391 -1.102 1.00 0.55 N ATOM 2867 CE2 TRP B 77 1.731 0.389 -2.035 1.00 0.55 C ATOM 2868 CE3 TRP B 77 1.140 0.095 -4.359 1.00 0.58 C ATOM 2869 CZ2 TRP B 77 2.314 -0.878 -1.996 1.00 0.65 C ATOM 2870 CZ3 TRP B 77 1.721 -1.185 -4.315 1.00 0.68 C ATOM 2871 CH2 TRP B 77 2.277 -1.685 -3.136 1.00 0.72 C ATOM 0 H TRP B 77 -1.452 3.336 -5.700 1.00 0.50 H new ATOM 0 HA TRP B 77 -1.716 2.380 -3.165 1.00 0.46 H new ATOM 0 HB2 TRP B 77 0.337 3.038 -4.848 1.00 0.46 H new ATOM 0 HB3 TRP B 77 0.527 4.258 -3.604 1.00 0.46 H new ATOM 0 HD1 TRP B 77 0.955 3.471 -1.150 1.00 0.49 H new ATOM 0 HE1 TRP B 77 1.849 1.299 -0.119 1.00 0.55 H new ATOM 0 HE3 TRP B 77 0.689 0.449 -5.274 1.00 0.58 H new ATOM 0 HZ2 TRP B 77 2.789 -1.232 -1.093 1.00 0.65 H new ATOM 0 HZ3 TRP B 77 1.737 -1.792 -5.208 1.00 0.68 H new ATOM 0 HH2 TRP B 77 2.676 -2.688 -3.105 1.00 0.72 H new ATOM 2882 N ARG B 78 -1.369 5.636 -2.826 1.00 0.51 N ATOM 2883 CA ARG B 78 -1.754 6.797 -2.038 1.00 0.55 C ATOM 2884 C ARG B 78 -3.265 6.821 -1.724 1.00 0.59 C ATOM 2885 O ARG B 78 -3.632 6.974 -0.559 1.00 0.63 O ATOM 2886 CB ARG B 78 -1.232 8.080 -2.716 1.00 0.66 C ATOM 2887 CG ARG B 78 -1.438 8.186 -4.240 1.00 1.25 C ATOM 2888 CD ARG B 78 -0.819 9.491 -4.768 1.00 1.30 C ATOM 2889 NE ARG B 78 -1.145 9.734 -6.187 1.00 2.47 N ATOM 2890 CZ ARG B 78 -0.432 9.362 -7.269 1.00 3.65 C ATOM 2891 NH1 ARG B 78 0.692 8.649 -7.119 1.00 4.17 N ATOM 2892 NH2 ARG B 78 -0.885 9.702 -8.482 1.00 4.95 N ATOM 0 H ARG B 78 -0.674 5.850 -3.541 1.00 0.51 H new ATOM 0 HA ARG B 78 -1.280 6.735 -1.058 1.00 0.55 H new ATOM 0 HB2 ARG B 78 -1.717 8.936 -2.246 1.00 0.66 H new ATOM 0 HB3 ARG B 78 -0.165 8.165 -2.509 1.00 0.66 H new ATOM 0 HG2 ARG B 78 -0.981 7.330 -4.737 1.00 1.25 H new ATOM 0 HG3 ARG B 78 -2.502 8.159 -4.474 1.00 1.25 H new ATOM 0 HD2 ARG B 78 -1.175 10.328 -4.168 1.00 1.30 H new ATOM 0 HD3 ARG B 78 0.264 9.451 -4.648 1.00 1.30 H new ATOM 0 HE ARG B 78 -2.010 10.242 -6.370 1.00 2.47 H new ATOM 0 HH11 ARG B 78 1.009 8.387 -6.186 1.00 4.17 H new ATOM 0 HH12 ARG B 78 1.231 8.368 -7.938 1.00 4.17 H new ATOM 0 HH21 ARG B 78 -1.752 10.231 -8.573 1.00 4.95 H new ATOM 0 HH22 ARG B 78 -0.363 9.432 -9.316 1.00 4.95 H new ATOM 2906 N LEU B 79 -4.146 6.600 -2.710 1.00 0.60 N ATOM 2907 CA LEU B 79 -5.585 6.640 -2.449 1.00 0.69 C ATOM 2908 C LEU B 79 -6.044 5.503 -1.531 1.00 0.60 C ATOM 2909 O LEU B 79 -6.846 5.748 -0.631 1.00 0.62 O ATOM 2910 CB LEU B 79 -6.431 6.696 -3.731 1.00 0.87 C ATOM 2911 CG LEU B 79 -6.535 8.115 -4.327 1.00 1.20 C ATOM 2912 CD1 LEU B 79 -5.195 8.724 -4.742 1.00 1.25 C ATOM 2913 CD2 LEU B 79 -7.470 8.110 -5.539 1.00 1.74 C ATOM 0 H LEU B 79 -3.891 6.396 -3.676 1.00 0.60 H new ATOM 0 HA LEU B 79 -5.756 7.578 -1.921 1.00 0.69 H new ATOM 0 HB2 LEU B 79 -5.997 6.027 -4.475 1.00 0.87 H new ATOM 0 HB3 LEU B 79 -7.433 6.325 -3.514 1.00 0.87 H new ATOM 0 HG LEU B 79 -6.930 8.738 -3.524 1.00 1.20 H new ATOM 0 HD11 LEU B 79 -5.359 9.721 -5.150 1.00 1.25 H new ATOM 0 HD12 LEU B 79 -4.541 8.791 -3.873 1.00 1.25 H new ATOM 0 HD13 LEU B 79 -4.728 8.094 -5.499 1.00 1.25 H new ATOM 0 HD21 LEU B 79 -7.536 9.117 -5.952 1.00 1.74 H new ATOM 0 HD22 LEU B 79 -7.079 7.432 -6.297 1.00 1.74 H new ATOM 0 HD23 LEU B 79 -8.462 7.778 -5.232 1.00 1.74 H new ATOM 2925 N ILE B 80 -5.577 4.258 -1.692 1.00 0.56 N ATOM 2926 CA ILE B 80 -5.952 3.257 -0.690 1.00 0.55 C ATOM 2927 C ILE B 80 -5.276 3.569 0.647 1.00 0.50 C ATOM 2928 O ILE B 80 -5.787 3.193 1.691 1.00 0.47 O ATOM 2929 CB ILE B 80 -5.781 1.791 -1.135 1.00 0.57 C ATOM 2930 CG1 ILE B 80 -4.320 1.332 -1.161 1.00 0.61 C ATOM 2931 CG2 ILE B 80 -6.384 1.589 -2.508 1.00 0.76 C ATOM 2932 CD1 ILE B 80 -4.167 -0.152 -0.819 1.00 0.67 C ATOM 0 H ILE B 80 -4.979 3.935 -2.453 1.00 0.56 H new ATOM 0 HA ILE B 80 -7.031 3.342 -0.558 1.00 0.55 H new ATOM 0 HB ILE B 80 -6.300 1.186 -0.392 1.00 0.57 H new ATOM 0 HG12 ILE B 80 -3.901 1.519 -2.150 1.00 0.61 H new ATOM 0 HG13 ILE B 80 -3.743 1.926 -0.453 1.00 0.61 H new ATOM 0 HG21 ILE B 80 -6.257 0.550 -2.812 1.00 0.76 H new ATOM 0 HG22 ILE B 80 -7.446 1.831 -2.478 1.00 0.76 H new ATOM 0 HG23 ILE B 80 -5.883 2.240 -3.225 1.00 0.76 H new ATOM 0 HD11 ILE B 80 -3.113 -0.426 -0.852 1.00 0.67 H new ATOM 0 HD12 ILE B 80 -4.559 -0.337 0.181 1.00 0.67 H new ATOM 0 HD13 ILE B 80 -4.720 -0.751 -1.543 1.00 0.67 H new ATOM 2944 N GLY B 81 -4.144 4.274 0.626 1.00 0.51 N ATOM 2945 CA GLY B 81 -3.534 4.874 1.805 1.00 0.53 C ATOM 2946 C GLY B 81 -4.471 5.836 2.524 1.00 0.55 C ATOM 2947 O GLY B 81 -4.442 5.949 3.751 1.00 0.74 O ATOM 0 H GLY B 81 -3.618 4.445 -0.231 1.00 0.51 H new ATOM 0 HA2 GLY B 81 -3.231 4.085 2.494 1.00 0.53 H new ATOM 0 HA3 GLY B 81 -2.629 5.406 1.511 1.00 0.53 H new ATOM 2951 N GLU B 82 -5.276 6.583 1.774 1.00 0.54 N ATOM 2952 CA GLU B 82 -6.351 7.382 2.337 1.00 0.59 C ATOM 2953 C GLU B 82 -7.450 6.442 2.856 1.00 0.57 C ATOM 2954 O GLU B 82 -7.833 6.504 4.023 1.00 0.62 O ATOM 2955 CB GLU B 82 -6.841 8.368 1.278 1.00 0.69 C ATOM 2956 CG GLU B 82 -5.779 9.399 0.871 1.00 0.71 C ATOM 2957 CD GLU B 82 -6.188 10.095 -0.421 1.00 1.75 C ATOM 2958 OE1 GLU B 82 -7.354 10.540 -0.470 1.00 2.83 O ATOM 2959 OE2 GLU B 82 -5.349 10.126 -1.346 1.00 2.65 O ATOM 0 H GLU B 82 -5.198 6.649 0.759 1.00 0.54 H new ATOM 0 HA GLU B 82 -6.012 7.973 3.188 1.00 0.59 H new ATOM 0 HB2 GLU B 82 -7.157 7.814 0.394 1.00 0.69 H new ATOM 0 HB3 GLU B 82 -7.719 8.891 1.657 1.00 0.69 H new ATOM 0 HG2 GLU B 82 -5.653 10.135 1.665 1.00 0.71 H new ATOM 0 HG3 GLU B 82 -4.816 8.906 0.738 1.00 0.71 H new ATOM 2966 N LEU B 83 -7.912 5.501 2.026 1.00 0.54 N ATOM 2967 CA LEU B 83 -8.934 4.542 2.428 1.00 0.54 C ATOM 2968 C LEU B 83 -8.580 3.861 3.769 1.00 0.54 C ATOM 2969 O LEU B 83 -9.422 3.716 4.659 1.00 0.62 O ATOM 2970 CB LEU B 83 -9.190 3.538 1.300 1.00 0.59 C ATOM 2971 CG LEU B 83 -10.675 3.172 1.174 1.00 1.20 C ATOM 2972 CD1 LEU B 83 -10.803 2.060 0.139 1.00 1.85 C ATOM 2973 CD2 LEU B 83 -11.279 2.709 2.497 1.00 2.43 C ATOM 0 H LEU B 83 -7.588 5.387 1.065 1.00 0.54 H new ATOM 0 HA LEU B 83 -9.867 5.078 2.604 1.00 0.54 H new ATOM 0 HB2 LEU B 83 -8.840 3.957 0.357 1.00 0.59 H new ATOM 0 HB3 LEU B 83 -8.609 2.634 1.482 1.00 0.59 H new ATOM 0 HG LEU B 83 -11.223 4.064 0.871 1.00 1.20 H new ATOM 0 HD11 LEU B 83 -11.851 1.782 0.031 1.00 1.85 H new ATOM 0 HD12 LEU B 83 -10.420 2.410 -0.820 1.00 1.85 H new ATOM 0 HD13 LEU B 83 -10.229 1.192 0.464 1.00 1.85 H new ATOM 0 HD21 LEU B 83 -12.331 2.463 2.350 1.00 2.43 H new ATOM 0 HD22 LEU B 83 -10.746 1.827 2.851 1.00 2.43 H new ATOM 0 HD23 LEU B 83 -11.192 3.506 3.235 1.00 2.43 H new ATOM 2985 N ALA B 84 -7.308 3.481 3.937 1.00 0.53 N ATOM 2986 CA ALA B 84 -6.753 2.930 5.158 1.00 0.58 C ATOM 2987 C ALA B 84 -7.134 3.742 6.399 1.00 0.75 C ATOM 2988 O ALA B 84 -7.507 3.121 7.398 1.00 1.02 O ATOM 2989 CB ALA B 84 -5.233 2.790 5.035 1.00 0.62 C ATOM 0 H ALA B 84 -6.617 3.556 3.190 1.00 0.53 H new ATOM 0 HA ALA B 84 -7.189 1.940 5.293 1.00 0.58 H new ATOM 0 HB1 ALA B 84 -4.830 2.375 5.959 1.00 0.62 H new ATOM 0 HB2 ALA B 84 -4.995 2.125 4.205 1.00 0.62 H new ATOM 0 HB3 ALA B 84 -4.791 3.770 4.854 1.00 0.62 H new ATOM 2995 N LYS B 85 -7.055 5.081 6.343 1.00 0.80 N ATOM 2996 CA LYS B 85 -7.470 5.934 7.457 1.00 1.10 C ATOM 2997 C LYS B 85 -8.996 6.034 7.519 1.00 1.10 C ATOM 2998 O LYS B 85 -9.564 5.961 8.607 1.00 1.39 O ATOM 2999 CB LYS B 85 -6.792 7.325 7.436 1.00 1.40 C ATOM 3000 CG LYS B 85 -7.105 8.194 6.209 1.00 1.48 C ATOM 3001 CD LYS B 85 -6.931 9.709 6.373 1.00 1.50 C ATOM 3002 CE LYS B 85 -5.536 10.189 5.952 1.00 1.80 C ATOM 3003 NZ LYS B 85 -5.562 11.610 5.553 1.00 2.37 N ATOM 0 H LYS B 85 -6.706 5.593 5.533 1.00 0.80 H new ATOM 0 HA LYS B 85 -7.126 5.458 8.375 1.00 1.10 H new ATOM 0 HB2 LYS B 85 -7.092 7.870 8.331 1.00 1.40 H new ATOM 0 HB3 LYS B 85 -5.713 7.185 7.495 1.00 1.40 H new ATOM 0 HG2 LYS B 85 -6.467 7.866 5.388 1.00 1.48 H new ATOM 0 HG3 LYS B 85 -8.135 8.001 5.909 1.00 1.48 H new ATOM 0 HD2 LYS B 85 -7.684 10.225 5.777 1.00 1.50 H new ATOM 0 HD3 LYS B 85 -7.107 9.981 7.414 1.00 1.50 H new ATOM 0 HE2 LYS B 85 -4.837 10.052 6.777 1.00 1.80 H new ATOM 0 HE3 LYS B 85 -5.174 9.582 5.123 1.00 1.80 H new ATOM 0 HZ1 LYS B 85 -4.588 11.960 5.453 1.00 2.37 H new ATOM 0 HZ2 LYS B 85 -6.060 11.707 4.645 1.00 2.37 H new ATOM 0 HZ3 LYS B 85 -6.057 12.166 6.280 1.00 2.37 H new ATOM 3017 N GLU B 86 -9.639 6.216 6.358 1.00 0.86 N ATOM 3018 CA GLU B 86 -11.068 6.479 6.228 1.00 0.79 C ATOM 3019 C GLU B 86 -11.878 5.487 7.064 1.00 0.90 C ATOM 3020 O GLU B 86 -12.523 5.872 8.039 1.00 1.06 O ATOM 3021 CB GLU B 86 -11.467 6.410 4.745 1.00 0.74 C ATOM 3022 CG GLU B 86 -11.740 7.778 4.098 1.00 1.00 C ATOM 3023 CD GLU B 86 -10.465 8.503 3.745 1.00 1.93 C ATOM 3024 OE1 GLU B 86 -9.996 9.269 4.616 1.00 3.62 O ATOM 3025 OE2 GLU B 86 -10.031 8.324 2.582 1.00 2.29 O ATOM 0 H GLU B 86 -9.159 6.182 5.459 1.00 0.86 H new ATOM 0 HA GLU B 86 -11.286 7.479 6.604 1.00 0.79 H new ATOM 0 HB2 GLU B 86 -10.673 5.911 4.190 1.00 0.74 H new ATOM 0 HB3 GLU B 86 -12.359 5.792 4.649 1.00 0.74 H new ATOM 0 HG2 GLU B 86 -12.339 7.640 3.198 1.00 1.00 H new ATOM 0 HG3 GLU B 86 -12.328 8.391 4.781 1.00 1.00 H new ATOM 3032 N ILE B 87 -11.844 4.205 6.694 1.00 0.88 N ATOM 3033 CA ILE B 87 -12.530 3.162 7.436 1.00 0.97 C ATOM 3034 C ILE B 87 -11.624 2.792 8.618 1.00 1.05 C ATOM 3035 O ILE B 87 -10.567 2.183 8.439 1.00 1.06 O ATOM 3036 CB ILE B 87 -12.916 1.997 6.497 1.00 0.98 C ATOM 3037 CG1 ILE B 87 -14.108 1.171 7.010 1.00 1.32 C ATOM 3038 CG2 ILE B 87 -11.760 1.063 6.133 1.00 1.15 C ATOM 3039 CD1 ILE B 87 -13.977 0.734 8.471 1.00 1.69 C ATOM 0 H ILE B 87 -11.340 3.868 5.874 1.00 0.88 H new ATOM 0 HA ILE B 87 -13.486 3.488 7.846 1.00 0.97 H new ATOM 0 HB ILE B 87 -13.216 2.509 5.582 1.00 0.98 H new ATOM 0 HG12 ILE B 87 -15.020 1.758 6.897 1.00 1.32 H new ATOM 0 HG13 ILE B 87 -14.220 0.285 6.385 1.00 1.32 H new ATOM 0 HG21 ILE B 87 -12.123 0.276 5.472 1.00 1.15 H new ATOM 0 HG22 ILE B 87 -10.979 1.631 5.627 1.00 1.15 H new ATOM 0 HG23 ILE B 87 -11.354 0.616 7.040 1.00 1.15 H new ATOM 0 HD11 ILE B 87 -14.856 0.157 8.758 1.00 1.69 H new ATOM 0 HD12 ILE B 87 -13.085 0.119 8.588 1.00 1.69 H new ATOM 0 HD13 ILE B 87 -13.897 1.615 9.108 1.00 1.69 H new ATOM 3051 N ARG B 88 -12.023 3.209 9.823 1.00 1.19 N ATOM 3052 CA ARG B 88 -11.242 3.044 11.040 1.00 1.33 C ATOM 3053 C ARG B 88 -11.440 1.636 11.610 1.00 1.40 C ATOM 3054 O ARG B 88 -12.519 1.293 12.085 1.00 1.88 O ATOM 3055 CB ARG B 88 -11.620 4.123 12.064 1.00 1.54 C ATOM 3056 CG ARG B 88 -11.343 5.533 11.515 1.00 2.20 C ATOM 3057 CD ARG B 88 -11.550 6.613 12.584 1.00 2.67 C ATOM 3058 NE ARG B 88 -10.511 6.550 13.627 1.00 3.33 N ATOM 3059 CZ ARG B 88 -10.459 7.339 14.713 1.00 4.28 C ATOM 3060 NH1 ARG B 88 -11.411 8.256 14.916 1.00 4.74 N ATOM 3061 NH2 ARG B 88 -9.456 7.209 15.590 1.00 5.39 N ATOM 0 H ARG B 88 -12.915 3.679 9.977 1.00 1.19 H new ATOM 0 HA ARG B 88 -10.184 3.163 10.805 1.00 1.33 H new ATOM 0 HB2 ARG B 88 -12.675 4.031 12.321 1.00 1.54 H new ATOM 0 HB3 ARG B 88 -11.054 3.970 12.983 1.00 1.54 H new ATOM 0 HG2 ARG B 88 -10.320 5.583 11.142 1.00 2.20 H new ATOM 0 HG3 ARG B 88 -12.001 5.729 10.669 1.00 2.20 H new ATOM 0 HD2 ARG B 88 -11.537 7.597 12.115 1.00 2.67 H new ATOM 0 HD3 ARG B 88 -12.532 6.491 13.040 1.00 2.67 H new ATOM 0 HE ARG B 88 -9.774 5.853 13.516 1.00 3.33 H new ATOM 0 HH11 ARG B 88 -12.175 8.355 14.247 1.00 4.74 H new ATOM 0 HH12 ARG B 88 -11.374 8.856 15.740 1.00 4.74 H new ATOM 0 HH21 ARG B 88 -8.730 6.510 15.434 1.00 5.39 H new ATOM 0 HH22 ARG B 88 -9.418 7.809 16.414 1.00 5.39 H new ATOM 3075 N LYS B 89 -10.372 0.837 11.572 1.00 1.44 N ATOM 3076 CA LYS B 89 -10.324 -0.577 11.946 1.00 1.53 C ATOM 3077 C LYS B 89 -10.671 -0.848 13.412 1.00 2.15 C ATOM 3078 O LYS B 89 -10.954 -1.996 13.744 1.00 2.03 O ATOM 3079 CB LYS B 89 -8.912 -1.128 11.646 1.00 2.30 C ATOM 3080 CG LYS B 89 -8.693 -1.531 10.175 1.00 1.74 C ATOM 3081 CD LYS B 89 -8.675 -0.286 9.288 1.00 2.20 C ATOM 3082 CE LYS B 89 -8.496 -0.529 7.793 1.00 2.29 C ATOM 3083 NZ LYS B 89 -8.712 0.743 7.074 1.00 3.85 N ATOM 0 H LYS B 89 -9.464 1.181 11.261 1.00 1.44 H new ATOM 0 HA LYS B 89 -11.087 -1.082 11.353 1.00 1.53 H new ATOM 0 HB2 LYS B 89 -8.174 -0.374 11.919 1.00 2.30 H new ATOM 0 HB3 LYS B 89 -8.730 -1.996 12.280 1.00 2.30 H new ATOM 0 HG2 LYS B 89 -7.753 -2.073 10.074 1.00 1.74 H new ATOM 0 HG3 LYS B 89 -9.486 -2.206 9.852 1.00 1.74 H new ATOM 0 HD2 LYS B 89 -9.609 0.255 9.438 1.00 2.20 H new ATOM 0 HD3 LYS B 89 -7.870 0.366 9.628 1.00 2.20 H new ATOM 0 HE2 LYS B 89 -7.496 -0.912 7.590 1.00 2.29 H new ATOM 0 HE3 LYS B 89 -9.202 -1.283 7.446 1.00 2.29 H new ATOM 0 HZ1 LYS B 89 -8.862 0.549 6.063 1.00 3.85 H new ATOM 0 HZ2 LYS B 89 -9.548 1.224 7.462 1.00 3.85 H new ATOM 0 HZ3 LYS B 89 -7.878 1.353 7.189 1.00 3.85 H new ATOM 3097 N LYS B 90 -10.572 0.157 14.293 1.00 2.97 N ATOM 3098 CA LYS B 90 -10.282 -0.035 15.713 1.00 3.53 C ATOM 3099 C LYS B 90 -9.114 -1.025 15.865 1.00 2.14 C ATOM 3100 O LYS B 90 -8.221 -1.056 15.021 1.00 2.04 O ATOM 3101 CB LYS B 90 -11.543 -0.345 16.560 1.00 5.31 C ATOM 3102 CG LYS B 90 -12.240 -1.691 16.286 1.00 6.30 C ATOM 3103 CD LYS B 90 -12.898 -2.293 17.537 1.00 8.09 C ATOM 3104 CE LYS B 90 -13.583 -3.626 17.180 1.00 9.40 C ATOM 3105 NZ LYS B 90 -13.726 -4.527 18.346 1.00 10.77 N ATOM 0 H LYS B 90 -10.693 1.136 14.033 1.00 2.97 H new ATOM 0 HA LYS B 90 -9.947 0.908 16.145 1.00 3.53 H new ATOM 0 HB2 LYS B 90 -11.263 -0.314 17.613 1.00 5.31 H new ATOM 0 HB3 LYS B 90 -12.267 0.453 16.399 1.00 5.31 H new ATOM 0 HG2 LYS B 90 -12.998 -1.551 15.515 1.00 6.30 H new ATOM 0 HG3 LYS B 90 -11.510 -2.398 15.890 1.00 6.30 H new ATOM 0 HD2 LYS B 90 -12.148 -2.456 18.311 1.00 8.09 H new ATOM 0 HD3 LYS B 90 -13.630 -1.596 17.945 1.00 8.09 H new ATOM 0 HE2 LYS B 90 -14.568 -3.422 16.761 1.00 9.40 H new ATOM 0 HE3 LYS B 90 -13.005 -4.130 16.405 1.00 9.40 H new ATOM 0 HZ1 LYS B 90 -14.018 -5.471 18.022 1.00 10.77 H new ATOM 0 HZ2 LYS B 90 -12.816 -4.598 18.844 1.00 10.77 H new ATOM 0 HZ3 LYS B 90 -14.445 -4.146 18.993 1.00 10.77 H new ATOM 3119 N LYS B 91 -9.113 -1.841 16.922 1.00 2.59 N ATOM 3120 CA LYS B 91 -8.207 -2.975 17.016 1.00 2.52 C ATOM 3121 C LYS B 91 -8.660 -4.069 16.041 1.00 2.28 C ATOM 3122 O LYS B 91 -7.893 -4.550 15.211 1.00 2.67 O ATOM 3123 CB LYS B 91 -8.240 -3.537 18.444 1.00 3.85 C ATOM 3124 CG LYS B 91 -7.710 -2.592 19.525 1.00 4.30 C ATOM 3125 CD LYS B 91 -7.732 -3.255 20.916 1.00 5.50 C ATOM 3126 CE LYS B 91 -9.130 -3.746 21.339 1.00 5.50 C ATOM 3127 NZ LYS B 91 -9.424 -5.133 20.909 1.00 6.20 N ATOM 0 H LYS B 91 -9.734 -1.732 17.724 1.00 2.59 H new ATOM 0 HA LYS B 91 -7.196 -2.652 16.768 1.00 2.52 H new ATOM 0 HB2 LYS B 91 -9.268 -3.805 18.689 1.00 3.85 H new ATOM 0 HB3 LYS B 91 -7.656 -4.457 18.469 1.00 3.85 H new ATOM 0 HG2 LYS B 91 -6.691 -2.292 19.280 1.00 4.30 H new ATOM 0 HG3 LYS B 91 -8.313 -1.684 19.544 1.00 4.30 H new ATOM 0 HD2 LYS B 91 -7.043 -4.099 20.919 1.00 5.50 H new ATOM 0 HD3 LYS B 91 -7.366 -2.543 21.655 1.00 5.50 H new ATOM 0 HE2 LYS B 91 -9.215 -3.685 22.424 1.00 5.50 H new ATOM 0 HE3 LYS B 91 -9.883 -3.077 20.922 1.00 5.50 H new ATOM 0 HZ1 LYS B 91 -10.432 -5.215 20.668 1.00 6.20 H new ATOM 0 HZ2 LYS B 91 -8.848 -5.367 20.075 1.00 6.20 H new ATOM 0 HZ3 LYS B 91 -9.198 -5.791 21.682 1.00 6.20 H new ATOM 3141 N ASP B 92 -9.915 -4.498 16.204 1.00 2.42 N ATOM 3142 CA ASP B 92 -10.375 -5.825 15.829 1.00 2.67 C ATOM 3143 C ASP B 92 -11.263 -5.708 14.593 1.00 2.10 C ATOM 3144 O ASP B 92 -12.451 -6.023 14.643 1.00 2.47 O ATOM 3145 CB ASP B 92 -11.109 -6.499 17.014 1.00 3.76 C ATOM 3146 CG ASP B 92 -10.590 -6.104 18.384 1.00 4.92 C ATOM 3147 OD1 ASP B 92 -9.425 -6.410 18.711 1.00 5.81 O ATOM 3148 OD2 ASP B 92 -11.337 -5.406 19.116 1.00 5.38 O ATOM 0 H ASP B 92 -10.649 -3.916 16.609 1.00 2.42 H new ATOM 0 HA ASP B 92 -9.525 -6.462 15.584 1.00 2.67 H new ATOM 0 HB2 ASP B 92 -12.169 -6.252 16.956 1.00 3.76 H new ATOM 0 HB3 ASP B 92 -11.028 -7.581 16.907 1.00 3.76 H new ATOM 3153 N LEU B 93 -10.707 -5.233 13.477 1.00 1.56 N ATOM 3154 CA LEU B 93 -11.489 -5.016 12.263 1.00 1.54 C ATOM 3155 C LEU B 93 -12.215 -6.287 11.814 1.00 1.30 C ATOM 3156 O LEU B 93 -13.315 -6.214 11.272 1.00 1.36 O ATOM 3157 CB LEU B 93 -10.638 -4.388 11.147 1.00 2.01 C ATOM 3158 CG LEU B 93 -9.724 -5.353 10.373 1.00 1.53 C ATOM 3159 CD1 LEU B 93 -9.145 -4.734 9.101 1.00 2.28 C ATOM 3160 CD2 LEU B 93 -8.576 -5.911 11.225 1.00 2.61 C ATOM 0 H LEU B 93 -9.720 -4.992 13.391 1.00 1.56 H new ATOM 0 HA LEU B 93 -12.269 -4.293 12.501 1.00 1.54 H new ATOM 0 HB2 LEU B 93 -11.307 -3.904 10.436 1.00 2.01 H new ATOM 0 HB3 LEU B 93 -10.019 -3.606 11.586 1.00 2.01 H new ATOM 0 HG LEU B 93 -10.380 -6.177 10.094 1.00 1.53 H new ATOM 0 HD11 LEU B 93 -8.509 -5.463 8.599 1.00 2.28 H new ATOM 0 HD12 LEU B 93 -9.958 -4.442 8.436 1.00 2.28 H new ATOM 0 HD13 LEU B 93 -8.555 -3.855 9.360 1.00 2.28 H new ATOM 0 HD21 LEU B 93 -7.969 -6.585 10.621 1.00 2.61 H new ATOM 0 HD22 LEU B 93 -7.957 -5.089 11.585 1.00 2.61 H new ATOM 0 HD23 LEU B 93 -8.986 -6.456 12.075 1.00 2.61 H new ATOM 3172 N LYS B 94 -11.623 -7.458 12.083 1.00 1.21 N ATOM 3173 CA LYS B 94 -12.231 -8.743 11.771 1.00 1.21 C ATOM 3174 C LYS B 94 -13.591 -8.927 12.453 1.00 1.27 C ATOM 3175 O LYS B 94 -14.381 -9.739 12.001 1.00 1.33 O ATOM 3176 CB LYS B 94 -11.284 -9.908 12.132 1.00 1.49 C ATOM 3177 CG LYS B 94 -10.441 -10.531 11.004 1.00 2.26 C ATOM 3178 CD LYS B 94 -10.040 -9.585 9.863 1.00 3.76 C ATOM 3179 CE LYS B 94 -9.071 -10.250 8.875 1.00 5.08 C ATOM 3180 NZ LYS B 94 -7.728 -10.469 9.444 1.00 5.74 N ATOM 0 H LYS B 94 -10.707 -7.533 12.524 1.00 1.21 H new ATOM 0 HA LYS B 94 -12.404 -8.753 10.695 1.00 1.21 H new ATOM 0 HB2 LYS B 94 -10.600 -9.555 12.904 1.00 1.49 H new ATOM 0 HB3 LYS B 94 -11.885 -10.701 12.577 1.00 1.49 H new ATOM 0 HG2 LYS B 94 -9.533 -10.945 11.442 1.00 2.26 H new ATOM 0 HG3 LYS B 94 -10.999 -11.365 10.579 1.00 2.26 H new ATOM 0 HD2 LYS B 94 -10.934 -9.261 9.330 1.00 3.76 H new ATOM 0 HD3 LYS B 94 -9.575 -8.691 10.280 1.00 3.76 H new ATOM 0 HE2 LYS B 94 -9.485 -11.207 8.557 1.00 5.08 H new ATOM 0 HE3 LYS B 94 -8.985 -9.628 7.984 1.00 5.08 H new ATOM 0 HZ1 LYS B 94 -7.078 -10.777 8.692 1.00 5.74 H new ATOM 0 HZ2 LYS B 94 -7.379 -9.583 9.862 1.00 5.74 H new ATOM 0 HZ3 LYS B 94 -7.778 -11.202 10.180 1.00 5.74 H new ATOM 3194 N ILE B 95 -13.914 -8.184 13.513 1.00 1.40 N ATOM 3195 CA ILE B 95 -15.259 -8.232 14.083 1.00 1.62 C ATOM 3196 C ILE B 95 -16.319 -7.742 13.084 1.00 1.69 C ATOM 3197 O ILE B 95 -17.498 -8.032 13.268 1.00 1.94 O ATOM 3198 CB ILE B 95 -15.290 -7.511 15.447 1.00 1.93 C ATOM 3199 CG1 ILE B 95 -14.313 -8.151 16.455 1.00 2.40 C ATOM 3200 CG2 ILE B 95 -16.698 -7.449 16.057 1.00 2.99 C ATOM 3201 CD1 ILE B 95 -14.656 -9.589 16.865 1.00 3.00 C ATOM 0 H ILE B 95 -13.271 -7.550 13.988 1.00 1.40 H new ATOM 0 HA ILE B 95 -15.526 -9.270 14.281 1.00 1.62 H new ATOM 0 HB ILE B 95 -14.970 -6.489 15.245 1.00 1.93 H new ATOM 0 HG12 ILE B 95 -13.312 -8.141 16.024 1.00 2.40 H new ATOM 0 HG13 ILE B 95 -14.281 -7.531 17.351 1.00 2.40 H new ATOM 0 HG21 ILE B 95 -16.657 -6.931 17.015 1.00 2.99 H new ATOM 0 HG22 ILE B 95 -17.364 -6.911 15.382 1.00 2.99 H new ATOM 0 HG23 ILE B 95 -17.074 -8.461 16.208 1.00 2.99 H new ATOM 0 HD11 ILE B 95 -13.913 -9.952 17.575 1.00 3.00 H new ATOM 0 HD12 ILE B 95 -15.642 -9.610 17.329 1.00 3.00 H new ATOM 0 HD13 ILE B 95 -14.657 -10.229 15.982 1.00 3.00 H new ATOM 3213 N ARG B 96 -15.909 -7.006 12.043 1.00 1.58 N ATOM 3214 CA ARG B 96 -16.742 -6.524 10.949 1.00 1.78 C ATOM 3215 C ARG B 96 -17.463 -5.242 11.388 1.00 2.23 C ATOM 3216 O ARG B 96 -17.000 -4.527 12.278 1.00 3.38 O ATOM 3217 CB ARG B 96 -17.751 -7.563 10.453 1.00 2.12 C ATOM 3218 CG ARG B 96 -17.182 -8.929 10.098 1.00 2.16 C ATOM 3219 CD ARG B 96 -18.239 -10.024 10.253 1.00 2.72 C ATOM 3220 NE ARG B 96 -19.566 -9.632 9.731 1.00 3.04 N ATOM 3221 CZ ARG B 96 -20.619 -10.461 9.705 1.00 3.54 C ATOM 3222 NH1 ARG B 96 -20.452 -11.749 10.030 1.00 3.81 N ATOM 3223 NH2 ARG B 96 -21.828 -10.013 9.368 1.00 4.68 N ATOM 0 H ARG B 96 -14.935 -6.719 11.942 1.00 1.58 H new ATOM 0 HA ARG B 96 -16.083 -6.318 10.106 1.00 1.78 H new ATOM 0 HB2 ARG B 96 -18.512 -7.697 11.222 1.00 2.12 H new ATOM 0 HB3 ARG B 96 -18.254 -7.161 9.573 1.00 2.12 H new ATOM 0 HG2 ARG B 96 -16.814 -8.917 9.072 1.00 2.16 H new ATOM 0 HG3 ARG B 96 -16.329 -9.149 10.740 1.00 2.16 H new ATOM 0 HD2 ARG B 96 -17.902 -10.921 9.734 1.00 2.72 H new ATOM 0 HD3 ARG B 96 -18.333 -10.283 11.308 1.00 2.72 H new ATOM 0 HE ARG B 96 -19.686 -8.684 9.373 1.00 3.04 H new ATOM 0 HH11 ARG B 96 -19.529 -12.093 10.295 1.00 3.81 H new ATOM 0 HH12 ARG B 96 -21.248 -12.387 10.013 1.00 3.81 H new ATOM 0 HH21 ARG B 96 -21.959 -9.031 9.127 1.00 4.68 H new ATOM 0 HH22 ARG B 96 -22.622 -10.652 9.351 1.00 4.68 H new ATOM 3237 N LYS B 97 -18.621 -4.958 10.784 1.00 2.14 N ATOM 3238 CA LYS B 97 -19.580 -3.979 11.269 1.00 2.47 C ATOM 3239 C LYS B 97 -20.908 -4.305 10.596 1.00 2.76 C ATOM 3240 O LYS B 97 -21.923 -4.471 11.269 1.00 2.96 O ATOM 3241 CB LYS B 97 -19.129 -2.536 10.983 1.00 3.66 C ATOM 3242 CG LYS B 97 -19.604 -1.577 12.081 1.00 4.49 C ATOM 3243 CD LYS B 97 -18.687 -1.667 13.310 1.00 6.26 C ATOM 3244 CE LYS B 97 -19.171 -0.705 14.402 1.00 7.56 C ATOM 3245 NZ LYS B 97 -18.324 -0.775 15.610 1.00 9.18 N ATOM 0 H LYS B 97 -18.918 -5.418 9.923 1.00 2.14 H new ATOM 0 HA LYS B 97 -19.672 -4.036 12.354 1.00 2.47 H new ATOM 0 HB2 LYS B 97 -18.042 -2.500 10.911 1.00 3.66 H new ATOM 0 HB3 LYS B 97 -19.524 -2.213 10.019 1.00 3.66 H new ATOM 0 HG2 LYS B 97 -19.613 -0.556 11.701 1.00 4.49 H new ATOM 0 HG3 LYS B 97 -20.628 -1.820 12.366 1.00 4.49 H new ATOM 0 HD2 LYS B 97 -18.678 -2.688 13.692 1.00 6.26 H new ATOM 0 HD3 LYS B 97 -17.663 -1.423 13.028 1.00 6.26 H new ATOM 0 HE2 LYS B 97 -19.169 0.314 14.015 1.00 7.56 H new ATOM 0 HE3 LYS B 97 -20.201 -0.944 14.666 1.00 7.56 H new ATOM 0 HZ1 LYS B 97 -18.683 -0.110 16.325 1.00 9.18 H new ATOM 0 HZ2 LYS B 97 -18.346 -1.741 15.994 1.00 9.18 H new ATOM 0 HZ3 LYS B 97 -17.346 -0.522 15.363 1.00 9.18 H new ATOM 3259 N LYS B 98 -20.862 -4.449 9.269 1.00 3.75 N ATOM 3260 CA LYS B 98 -21.828 -5.264 8.555 1.00 4.92 C ATOM 3261 C LYS B 98 -21.595 -6.737 8.916 1.00 5.03 C ATOM 3262 O LYS B 98 -22.546 -7.534 8.781 1.00 5.99 O ATOM 3263 CB LYS B 98 -21.665 -5.021 7.051 1.00 6.41 C ATOM 3264 CG LYS B 98 -22.813 -5.653 6.246 1.00 7.43 C ATOM 3265 CD LYS B 98 -22.597 -5.494 4.737 1.00 8.96 C ATOM 3266 CE LYS B 98 -22.798 -4.041 4.271 1.00 10.05 C ATOM 3267 NZ LYS B 98 -21.691 -3.590 3.407 1.00 11.62 N ATOM 3268 OXT LYS B 98 -20.456 -7.091 9.298 1.00 4.91 O ATOM 0 H LYS B 98 -20.162 -4.008 8.673 1.00 3.75 H new ATOM 0 HA LYS B 98 -22.847 -4.999 8.836 1.00 4.92 H new ATOM 0 HB2 LYS B 98 -21.631 -3.949 6.857 1.00 6.41 H new ATOM 0 HB3 LYS B 98 -20.714 -5.436 6.716 1.00 6.41 H new ATOM 0 HG2 LYS B 98 -22.892 -6.712 6.493 1.00 7.43 H new ATOM 0 HG3 LYS B 98 -23.757 -5.188 6.530 1.00 7.43 H new ATOM 0 HD2 LYS B 98 -21.589 -5.820 4.480 1.00 8.96 H new ATOM 0 HD3 LYS B 98 -23.289 -6.144 4.202 1.00 8.96 H new ATOM 0 HE2 LYS B 98 -23.740 -3.959 3.729 1.00 10.05 H new ATOM 0 HE3 LYS B 98 -22.872 -3.387 5.140 1.00 10.05 H new ATOM 0 HZ1 LYS B 98 -21.581 -2.559 3.493 1.00 11.62 H new ATOM 0 HZ2 LYS B 98 -20.809 -4.058 3.700 1.00 11.62 H new ATOM 0 HZ3 LYS B 98 -21.901 -3.834 2.418 1.00 11.62 H new TER 3282 LYS B 98