USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 970 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: A 70 HIS : no HE2:sc= -0.636 K(o=-0.87,f=-2.1) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -0.391 K(o=-0.87,f=-2.1!) USER MOD Set 1.3: A 99 LYS NZ :NH3+ -148:sc= 0.161 (180deg=0.886) USER MOD Set 2.1: A 74 MET CE :methyl -139:sc= -0.439 (180deg=-2.19) USER MOD Set 2.2: A 88 GLN : amide:sc= -0.272 X(o=-0.71,f=-0.9) USER MOD Set 3.1: A 56 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 35 ASN : amide:sc= 0.916 K(o=1.9,f=-3.4) USER MOD Set 4.2: A 38 LYS NZ :NH3+ 177:sc= 0.935 (180deg=0) USER MOD Set 5.1: A 7 ASN : amide:sc= -0.216 K(o=-0.16,f=-2) USER MOD Set 5.2: A 11 ASN : amide:sc= 0.201 K(o=-0.16,f=-1.8) USER MOD Set 5.3: A 80 HIS : no HE2:sc= -0.149 K(o=-0.16,f=-8.2!) USER MOD Single : A 1 SER N :NH3+ 129:sc= 0.0558 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 MET CE :methyl -152:sc= -0.201 (180deg=-0.679) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -171:sc= -0.532 (180deg=-0.64) USER MOD Single : A 21 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.12) USER MOD Single : A 23 MET CE :methyl -155:sc= -0.476 (180deg=-2.3!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.985 K(o=0.99,f=-0.32) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 150:sc= -0.0752 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 48 THR OG1 : rot -54:sc= 0.198 USER MOD Single : A 53 MET CE :methyl 166:sc= -1.29 (180deg=-1.79) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 160:sc= -0.963! (180deg=-2.08) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 67 ASN : amide:sc= -0.0318 X(o=-0.032,f=0) USER MOD Single : A 69 HIS : no HD1:sc= 0.748 K(o=0.75,f=-4!) USER MOD Single : A 72 ASN : amide:sc= -0.586 X(o=-0.59,f=-0.11) USER MOD Single : A 78 LYS NZ :NH3+ -163:sc= -0.0118 (180deg=-0.14) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0019 USER MOD Single : A 86 MET CE :methyl 160:sc= -0.242 (180deg=-1.08) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 100 SER OG : rot 91:sc= 0.0345 USER MOD Single : A 101 THR OG1 : rot 161:sc= 0.255 USER MOD Single : A 104 ASN : amide:sc= -2.82! K(o=-2.8!,f=-0.8) USER MOD Single : A 107 LYS NZ :NH3+ 172:sc= 1.29 (180deg=1.18) USER MOD Single : A 111 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 116 THR OG1 : rot 74:sc= 0.496 USER MOD Single : A 119 LYS NZ :NH3+ -152:sc= 0.102 (180deg=-0.225) USER MOD Single : A 123 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-2.8!) USER MOD Single : A 124 LYS NZ :NH3+ -168:sc= -0.0138 (180deg=-0.181) USER MOD Single : A 126 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.397 -7.683 2.410 1.00 0.00 N ATOM 2 CA SER A 1 14.170 -9.042 2.907 1.00 0.00 C ATOM 3 C SER A 1 12.719 -9.199 3.349 1.00 0.00 C ATOM 4 O SER A 1 12.087 -8.238 3.793 1.00 0.00 O ATOM 5 CB SER A 1 15.113 -9.342 4.077 1.00 0.00 C ATOM 6 OG SER A 1 16.476 -9.191 3.708 1.00 0.00 O ATOM 0 H1 SER A 1 15.230 -7.276 2.881 1.00 0.00 H new ATOM 0 H2 SER A 1 14.559 -7.711 1.383 1.00 0.00 H new ATOM 0 H3 SER A 1 13.563 -7.095 2.613 1.00 0.00 H new ATOM 0 HA SER A 1 14.374 -9.750 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.885 -8.674 4.908 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.942 -10.359 4.430 1.00 0.00 H new ATOM 0 HG SER A 1 17.048 -9.389 4.479 1.00 0.00 H new ATOM 12 N GLN A 2 12.165 -10.407 3.229 1.00 0.00 N ATOM 13 CA GLN A 2 10.723 -10.579 3.297 1.00 0.00 C ATOM 14 C GLN A 2 10.201 -10.481 4.736 1.00 0.00 C ATOM 15 O GLN A 2 9.038 -10.143 4.932 1.00 0.00 O ATOM 16 CB GLN A 2 10.322 -11.888 2.594 1.00 0.00 C ATOM 17 CG GLN A 2 9.007 -11.751 1.807 1.00 0.00 C ATOM 18 CD GLN A 2 7.883 -12.630 2.338 1.00 0.00 C ATOM 19 OE1 GLN A 2 7.007 -12.179 3.076 1.00 0.00 O ATOM 20 NE2 GLN A 2 7.859 -13.896 1.955 1.00 0.00 N ATOM 0 H GLN A 2 12.691 -11.269 3.086 1.00 0.00 H new ATOM 0 HA GLN A 2 10.243 -9.759 2.764 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.119 -12.192 1.915 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.217 -12.679 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.685 -10.710 1.832 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.191 -12.003 0.762 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.591 -14.258 1.343 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.109 -14.510 2.271 1.00 0.00 H new ATOM 29 N GLU A 3 11.063 -10.698 5.734 1.00 0.00 N ATOM 30 CA GLU A 3 10.771 -10.524 7.150 1.00 0.00 C ATOM 31 C GLU A 3 10.256 -9.106 7.413 1.00 0.00 C ATOM 32 O GLU A 3 9.149 -8.911 7.925 1.00 0.00 O ATOM 33 CB GLU A 3 12.069 -10.799 7.924 1.00 0.00 C ATOM 34 CG GLU A 3 11.940 -10.772 9.453 1.00 0.00 C ATOM 35 CD GLU A 3 13.281 -10.972 10.186 1.00 0.00 C ATOM 36 OE1 GLU A 3 14.311 -11.205 9.500 1.00 0.00 O ATOM 37 OE2 GLU A 3 13.283 -10.875 11.436 1.00 0.00 O ATOM 0 H GLU A 3 12.019 -11.012 5.565 1.00 0.00 H new ATOM 0 HA GLU A 3 9.992 -11.213 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.451 -11.775 7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.814 -10.061 7.626 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.508 -9.819 9.757 1.00 0.00 H new ATOM 0 HG3 GLU A 3 11.245 -11.551 9.765 1.00 0.00 H new ATOM 44 N VAL A 4 11.078 -8.112 7.067 1.00 0.00 N ATOM 45 CA VAL A 4 10.754 -6.707 7.273 1.00 0.00 C ATOM 46 C VAL A 4 9.541 -6.321 6.449 1.00 0.00 C ATOM 47 O VAL A 4 8.624 -5.661 6.929 1.00 0.00 O ATOM 48 CB VAL A 4 11.978 -5.826 7.005 1.00 0.00 C ATOM 49 CG1 VAL A 4 12.817 -6.136 5.769 1.00 0.00 C ATOM 50 CG2 VAL A 4 11.629 -4.338 7.013 1.00 0.00 C ATOM 0 H VAL A 4 11.989 -8.265 6.635 1.00 0.00 H new ATOM 0 HA VAL A 4 10.485 -6.543 8.317 1.00 0.00 H new ATOM 0 HB VAL A 4 12.617 -6.087 7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.648 -5.433 5.708 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.205 -7.152 5.838 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.198 -6.045 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.528 -3.752 6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.889 -4.134 6.240 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.222 -4.065 7.986 1.00 0.00 H new ATOM 60 N MET A 5 9.532 -6.767 5.204 1.00 0.00 N ATOM 61 CA MET A 5 8.443 -6.613 4.287 1.00 0.00 C ATOM 62 C MET A 5 7.100 -7.064 4.900 1.00 0.00 C ATOM 63 O MET A 5 6.149 -6.281 4.877 1.00 0.00 O ATOM 64 CB MET A 5 8.819 -7.330 2.982 1.00 0.00 C ATOM 65 CG MET A 5 8.051 -6.676 1.883 1.00 0.00 C ATOM 66 SD MET A 5 8.773 -5.116 1.321 1.00 0.00 S ATOM 67 CE MET A 5 7.587 -4.908 0.000 1.00 0.00 C ATOM 0 H MET A 5 10.324 -7.266 4.799 1.00 0.00 H new ATOM 0 HA MET A 5 8.279 -5.560 4.059 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.891 -7.258 2.798 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.577 -8.391 3.042 1.00 0.00 H new ATOM 0 HG2 MET A 5 7.987 -7.362 1.038 1.00 0.00 H new ATOM 0 HG3 MET A 5 7.032 -6.493 2.223 1.00 0.00 H new ATOM 0 HE1 MET A 5 8.039 -4.331 -0.807 1.00 0.00 H new ATOM 0 HE2 MET A 5 7.287 -5.886 -0.377 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.711 -4.380 0.377 1.00 0.00 H new ATOM 77 N LYS A 6 7.000 -8.255 5.508 1.00 0.00 N ATOM 78 CA LYS A 6 5.771 -8.698 6.182 1.00 0.00 C ATOM 79 C LYS A 6 5.364 -7.678 7.240 1.00 0.00 C ATOM 80 O LYS A 6 4.218 -7.229 7.273 1.00 0.00 O ATOM 81 CB LYS A 6 5.953 -10.093 6.818 1.00 0.00 C ATOM 82 CG LYS A 6 4.643 -10.672 7.408 1.00 0.00 C ATOM 83 CD LYS A 6 4.867 -11.722 8.512 1.00 0.00 C ATOM 84 CE LYS A 6 4.216 -13.088 8.246 1.00 0.00 C ATOM 85 NZ LYS A 6 2.763 -13.142 8.533 1.00 0.00 N ATOM 0 H LYS A 6 7.761 -8.933 5.547 1.00 0.00 H new ATOM 0 HA LYS A 6 4.980 -8.775 5.436 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.339 -10.780 6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.702 -10.030 7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.046 -9.855 7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.062 -11.123 6.604 1.00 0.00 H new ATOM 0 HD2 LYS A 6 5.939 -11.866 8.644 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.480 -11.328 9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.378 -13.356 7.202 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.721 -13.841 8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.404 -14.096 8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.599 -12.919 9.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.266 -12.449 7.938 1.00 0.00 H new ATOM 99 N ASN A 7 6.309 -7.319 8.107 1.00 0.00 N ATOM 100 CA ASN A 7 6.106 -6.425 9.243 1.00 0.00 C ATOM 101 C ASN A 7 5.669 -5.027 8.815 1.00 0.00 C ATOM 102 O ASN A 7 4.920 -4.357 9.526 1.00 0.00 O ATOM 103 CB ASN A 7 7.430 -6.321 9.992 1.00 0.00 C ATOM 104 CG ASN A 7 7.347 -5.569 11.308 1.00 0.00 C ATOM 105 OD1 ASN A 7 6.386 -5.689 12.067 1.00 0.00 O ATOM 106 ND2 ASN A 7 8.359 -4.775 11.597 1.00 0.00 N ATOM 0 H ASN A 7 7.269 -7.655 8.034 1.00 0.00 H new ATOM 0 HA ASN A 7 5.312 -6.834 9.868 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.805 -7.326 10.185 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.159 -5.827 9.350 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.357 -4.242 12.467 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.144 -4.693 10.951 1.00 0.00 H new ATOM 113 N LEU A 8 6.137 -4.559 7.661 1.00 0.00 N ATOM 114 CA LEU A 8 5.761 -3.278 7.090 1.00 0.00 C ATOM 115 C LEU A 8 4.288 -3.287 6.700 1.00 0.00 C ATOM 116 O LEU A 8 3.579 -2.332 7.014 1.00 0.00 O ATOM 117 CB LEU A 8 6.656 -2.964 5.882 1.00 0.00 C ATOM 118 CG LEU A 8 8.015 -2.376 6.301 1.00 0.00 C ATOM 119 CD1 LEU A 8 9.046 -2.531 5.181 1.00 0.00 C ATOM 120 CD2 LEU A 8 7.869 -0.890 6.636 1.00 0.00 C ATOM 0 H LEU A 8 6.804 -5.075 7.087 1.00 0.00 H new ATOM 0 HA LEU A 8 5.904 -2.494 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.819 -3.875 5.306 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.144 -2.260 5.226 1.00 0.00 H new ATOM 0 HG LEU A 8 8.356 -2.922 7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.998 -2.108 5.502 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.178 -3.588 4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.698 -2.007 4.291 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.838 -0.487 6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.504 -0.354 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.161 -0.770 7.456 1.00 0.00 H new ATOM 132 N SER A 9 3.803 -4.345 6.049 1.00 0.00 N ATOM 133 CA SER A 9 2.376 -4.487 5.742 1.00 0.00 C ATOM 134 C SER A 9 1.532 -4.697 7.006 1.00 0.00 C ATOM 135 O SER A 9 0.360 -4.317 7.053 1.00 0.00 O ATOM 136 CB SER A 9 2.176 -5.658 4.778 1.00 0.00 C ATOM 137 OG SER A 9 2.761 -5.349 3.528 1.00 0.00 O ATOM 0 H SER A 9 4.379 -5.121 5.722 1.00 0.00 H new ATOM 0 HA SER A 9 2.040 -3.560 5.278 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.627 -6.561 5.189 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.113 -5.861 4.653 1.00 0.00 H new ATOM 0 HG SER A 9 2.633 -6.101 2.912 1.00 0.00 H new ATOM 143 N LEU A 10 2.126 -5.251 8.063 1.00 0.00 N ATOM 144 CA LEU A 10 1.437 -5.558 9.296 1.00 0.00 C ATOM 145 C LEU A 10 1.136 -4.257 9.999 1.00 0.00 C ATOM 146 O LEU A 10 0.002 -3.970 10.377 1.00 0.00 O ATOM 147 CB LEU A 10 2.319 -6.475 10.153 1.00 0.00 C ATOM 148 CG LEU A 10 1.649 -6.873 11.474 1.00 0.00 C ATOM 149 CD1 LEU A 10 0.516 -7.866 11.222 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.706 -7.478 12.397 1.00 0.00 C ATOM 0 H LEU A 10 3.115 -5.499 8.077 1.00 0.00 H new ATOM 0 HA LEU A 10 0.500 -6.082 9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.559 -7.375 9.586 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.262 -5.971 10.366 1.00 0.00 H new ATOM 0 HG LEU A 10 1.216 -5.992 11.947 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.052 -8.137 12.170 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.230 -7.410 10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.916 -8.761 10.745 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.243 -7.766 13.341 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.142 -8.358 11.924 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.488 -6.743 12.586 1.00 0.00 H new ATOM 162 N ASN A 11 2.181 -3.457 10.153 1.00 0.00 N ATOM 163 CA ASN A 11 2.079 -2.194 10.839 1.00 0.00 C ATOM 164 C ASN A 11 1.243 -1.203 10.053 1.00 0.00 C ATOM 165 O ASN A 11 0.514 -0.406 10.631 1.00 0.00 O ATOM 166 CB ASN A 11 3.473 -1.654 11.082 1.00 0.00 C ATOM 167 CG ASN A 11 4.037 -2.291 12.331 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.649 -1.956 13.443 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.882 -3.289 12.183 1.00 0.00 N ATOM 0 H ASN A 11 3.116 -3.671 9.805 1.00 0.00 H new ATOM 0 HA ASN A 11 1.576 -2.347 11.794 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.114 -1.869 10.227 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.443 -0.570 11.193 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.222 -3.795 13.001 1.00 0.00 H new ATOM 0 HD22 ASN A 11 5.197 -3.557 11.250 1.00 0.00 H new ATOM 176 N PHE A 12 1.319 -1.265 8.728 1.00 0.00 N ATOM 177 CA PHE A 12 0.435 -0.526 7.855 1.00 0.00 C ATOM 178 C PHE A 12 -1.018 -0.860 8.175 1.00 0.00 C ATOM 179 O PHE A 12 -1.782 0.033 8.533 1.00 0.00 O ATOM 180 CB PHE A 12 0.825 -0.849 6.424 1.00 0.00 C ATOM 181 CG PHE A 12 -0.078 -0.288 5.352 1.00 0.00 C ATOM 182 CD1 PHE A 12 -0.054 1.089 5.073 1.00 0.00 C ATOM 183 CD2 PHE A 12 -0.906 -1.143 4.601 1.00 0.00 C ATOM 184 CE1 PHE A 12 -0.837 1.607 4.033 1.00 0.00 C ATOM 185 CE2 PHE A 12 -1.686 -0.625 3.553 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.648 0.751 3.274 1.00 0.00 C ATOM 0 H PHE A 12 2.004 -1.836 8.233 1.00 0.00 H new ATOM 0 HA PHE A 12 0.531 0.550 8.002 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.836 -0.479 6.251 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.859 -1.933 6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 12 0.568 1.748 5.660 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.942 -2.198 4.830 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.816 2.665 3.816 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.311 -1.281 2.966 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.247 1.152 2.470 1.00 0.00 H new ATOM 196 N GLY A 13 -1.378 -2.145 8.160 1.00 0.00 N ATOM 197 CA GLY A 13 -2.727 -2.624 8.428 1.00 0.00 C ATOM 198 C GLY A 13 -3.204 -2.479 9.877 1.00 0.00 C ATOM 199 O GLY A 13 -4.313 -2.933 10.156 1.00 0.00 O ATOM 0 H GLY A 13 -0.720 -2.897 7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.420 -2.086 7.781 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.782 -3.676 8.150 1.00 0.00 H new ATOM 203 N LYS A 14 -2.433 -1.867 10.791 1.00 0.00 N ATOM 204 CA LYS A 14 -2.831 -1.646 12.188 1.00 0.00 C ATOM 205 C LYS A 14 -4.194 -0.967 12.248 1.00 0.00 C ATOM 206 O LYS A 14 -5.164 -1.575 12.707 1.00 0.00 O ATOM 207 CB LYS A 14 -1.788 -0.791 12.929 1.00 0.00 C ATOM 208 CG LYS A 14 -0.497 -1.533 13.285 1.00 0.00 C ATOM 209 CD LYS A 14 -0.484 -2.057 14.720 1.00 0.00 C ATOM 210 CE LYS A 14 0.949 -2.469 15.068 1.00 0.00 C ATOM 211 NZ LYS A 14 1.194 -2.603 16.519 1.00 0.00 N ATOM 0 H LYS A 14 -1.503 -1.507 10.576 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.893 -2.617 12.679 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.538 0.071 12.311 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.236 -0.407 13.845 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.364 -2.369 12.598 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.351 -0.864 13.141 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.836 -1.288 15.408 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.159 -2.907 14.820 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.173 -3.419 14.582 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.639 -1.731 14.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.182 -2.884 16.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.012 -1.692 16.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.560 -3.327 16.913 1.00 0.00 H new ATOM 225 N ALA A 15 -4.275 0.266 11.747 1.00 0.00 N ATOM 226 CA ALA A 15 -5.458 1.113 11.807 1.00 0.00 C ATOM 227 C ALA A 15 -6.520 0.751 10.752 1.00 0.00 C ATOM 228 O ALA A 15 -7.360 1.606 10.437 1.00 0.00 O ATOM 229 CB ALA A 15 -5.022 2.576 11.659 1.00 0.00 C ATOM 0 H ALA A 15 -3.491 0.714 11.273 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.936 0.952 12.773 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.898 3.223 11.702 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.339 2.836 12.468 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.518 2.711 10.702 1.00 0.00 H new ATOM 235 N LEU A 16 -6.470 -0.456 10.165 1.00 0.00 N ATOM 236 CA LEU A 16 -7.368 -0.898 9.095 1.00 0.00 C ATOM 237 C LEU A 16 -8.804 -0.716 9.542 1.00 0.00 C ATOM 238 O LEU A 16 -9.579 -0.080 8.831 1.00 0.00 O ATOM 239 CB LEU A 16 -7.110 -2.372 8.720 1.00 0.00 C ATOM 240 CG LEU A 16 -8.146 -2.954 7.728 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.809 -2.587 6.285 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.252 -4.475 7.848 1.00 0.00 C ATOM 0 H LEU A 16 -5.787 -1.165 10.430 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.178 -0.293 8.208 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.115 -2.457 8.284 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.112 -2.974 9.629 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.106 -2.512 7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.558 -3.013 5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.802 -1.502 6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.827 -2.984 6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.989 -4.846 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.283 -4.925 7.634 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.560 -4.740 8.860 1.00 0.00 H new ATOM 254 N ASP A 17 -9.171 -1.290 10.684 1.00 0.00 N ATOM 255 CA ASP A 17 -10.569 -1.334 11.083 1.00 0.00 C ATOM 256 C ASP A 17 -11.095 0.034 11.474 1.00 0.00 C ATOM 257 O ASP A 17 -12.242 0.364 11.193 1.00 0.00 O ATOM 258 CB ASP A 17 -10.768 -2.288 12.239 1.00 0.00 C ATOM 259 CG ASP A 17 -12.181 -2.882 12.278 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.866 -3.006 11.232 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.554 -3.310 13.394 1.00 0.00 O ATOM 0 H ASP A 17 -8.525 -1.726 11.342 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.129 -1.683 10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.040 -3.096 12.167 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.572 -1.765 13.175 1.00 0.00 H new ATOM 266 N GLU A 18 -10.229 0.874 12.043 1.00 0.00 N ATOM 267 CA GLU A 18 -10.595 2.268 12.258 1.00 0.00 C ATOM 268 C GLU A 18 -10.955 2.903 10.925 1.00 0.00 C ATOM 269 O GLU A 18 -12.028 3.484 10.804 1.00 0.00 O ATOM 270 CB GLU A 18 -9.533 3.105 12.979 1.00 0.00 C ATOM 271 CG GLU A 18 -9.569 2.887 14.495 1.00 0.00 C ATOM 272 CD GLU A 18 -10.679 3.725 15.160 1.00 0.00 C ATOM 273 OE1 GLU A 18 -11.832 3.710 14.684 1.00 0.00 O ATOM 274 OE2 GLU A 18 -10.390 4.542 16.068 1.00 0.00 O ATOM 0 H GLU A 18 -9.292 0.619 12.356 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.453 2.259 12.930 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.545 2.845 12.598 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.692 4.161 12.760 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.732 1.831 14.708 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.603 3.153 14.925 1.00 0.00 H new ATOM 281 N CYS A 19 -10.076 2.773 9.924 1.00 0.00 N ATOM 282 CA CYS A 19 -10.309 3.333 8.597 1.00 0.00 C ATOM 283 C CYS A 19 -11.557 2.713 7.945 1.00 0.00 C ATOM 284 O CYS A 19 -12.266 3.398 7.213 1.00 0.00 O ATOM 285 CB CYS A 19 -9.112 3.056 7.674 1.00 0.00 C ATOM 286 SG CYS A 19 -7.843 4.315 7.678 1.00 0.00 S ATOM 0 H CYS A 19 -9.189 2.278 10.015 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.450 4.406 8.725 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.661 2.107 7.964 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.479 2.936 6.655 1.00 0.00 H new ATOM 291 N LYS A 20 -11.830 1.420 8.193 1.00 0.00 N ATOM 292 CA LYS A 20 -13.007 0.720 7.724 1.00 0.00 C ATOM 293 C LYS A 20 -14.217 1.475 8.240 1.00 0.00 C ATOM 294 O LYS A 20 -14.953 2.001 7.416 1.00 0.00 O ATOM 295 CB LYS A 20 -12.994 -0.754 8.172 1.00 0.00 C ATOM 296 CG LYS A 20 -12.212 -1.694 7.248 1.00 0.00 C ATOM 297 CD LYS A 20 -11.994 -3.130 7.768 1.00 0.00 C ATOM 298 CE LYS A 20 -13.296 -3.873 8.078 1.00 0.00 C ATOM 299 NZ LYS A 20 -13.055 -5.262 8.542 1.00 0.00 N ATOM 0 H LYS A 20 -11.209 0.827 8.744 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.034 0.692 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.567 -0.812 9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.023 -1.108 8.243 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.735 -1.750 6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.237 -1.249 7.051 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.431 -3.695 7.025 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.383 -3.092 8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.850 -3.328 8.842 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.921 -3.894 7.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.959 -5.773 8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.421 -5.746 7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.615 -5.242 9.484 1.00 0.00 H new ATOM 313 N LYS A 21 -14.414 1.591 9.554 1.00 0.00 N ATOM 314 CA LYS A 21 -15.614 2.260 10.051 1.00 0.00 C ATOM 315 C LYS A 21 -15.607 3.745 9.670 1.00 0.00 C ATOM 316 O LYS A 21 -16.659 4.255 9.296 1.00 0.00 O ATOM 317 CB LYS A 21 -15.816 2.032 11.559 1.00 0.00 C ATOM 318 CG LYS A 21 -16.260 0.599 11.926 1.00 0.00 C ATOM 319 CD LYS A 21 -15.104 -0.402 12.068 1.00 0.00 C ATOM 320 CE LYS A 21 -15.563 -1.747 12.646 1.00 0.00 C ATOM 321 NZ LYS A 21 -15.611 -2.820 11.635 1.00 0.00 N ATOM 0 H LYS A 21 -13.780 1.242 10.273 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.478 1.809 9.564 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.884 2.256 12.078 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.562 2.737 11.925 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.815 0.632 12.864 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.947 0.237 11.162 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.647 -0.566 11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.335 0.024 12.713 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.887 -2.041 13.449 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.552 -1.628 13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.144 -3.629 12.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.080 -2.467 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.643 -3.121 11.402 1.00 0.00 H new ATOM 335 N GLU A 22 -14.447 4.419 9.691 1.00 0.00 N ATOM 336 CA GLU A 22 -14.312 5.858 9.419 1.00 0.00 C ATOM 337 C GLU A 22 -14.855 6.254 8.045 1.00 0.00 C ATOM 338 O GLU A 22 -15.300 7.391 7.881 1.00 0.00 O ATOM 339 CB GLU A 22 -12.838 6.317 9.465 1.00 0.00 C ATOM 340 CG GLU A 22 -12.338 6.711 10.861 1.00 0.00 C ATOM 341 CD GLU A 22 -11.476 7.978 10.836 1.00 0.00 C ATOM 342 OE1 GLU A 22 -12.051 9.078 10.648 1.00 0.00 O ATOM 343 OE2 GLU A 22 -10.238 7.851 11.028 1.00 0.00 O ATOM 0 H GLU A 22 -13.557 3.968 9.902 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.894 6.342 10.203 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.209 5.514 9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.714 7.168 8.795 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.193 6.869 11.519 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.759 5.889 11.282 1.00 0.00 H new ATOM 350 N MET A 23 -14.797 5.356 7.059 1.00 0.00 N ATOM 351 CA MET A 23 -15.258 5.590 5.701 1.00 0.00 C ATOM 352 C MET A 23 -16.381 4.622 5.310 1.00 0.00 C ATOM 353 O MET A 23 -16.929 4.722 4.213 1.00 0.00 O ATOM 354 CB MET A 23 -14.061 5.514 4.753 1.00 0.00 C ATOM 355 CG MET A 23 -12.925 6.470 5.147 1.00 0.00 C ATOM 356 SD MET A 23 -12.074 7.229 3.747 1.00 0.00 S ATOM 357 CE MET A 23 -11.356 5.733 3.049 1.00 0.00 C ATOM 0 H MET A 23 -14.415 4.420 7.194 1.00 0.00 H new ATOM 0 HA MET A 23 -15.693 6.587 5.631 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.681 4.493 4.737 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.390 5.747 3.740 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.332 7.258 5.780 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.197 5.923 5.747 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.466 5.990 2.475 1.00 0.00 H new ATOM 0 HE2 MET A 23 -11.084 5.050 3.854 1.00 0.00 H new ATOM 0 HE3 MET A 23 -12.083 5.251 2.395 1.00 0.00 H new ATOM 367 N THR A 24 -16.764 3.720 6.217 1.00 0.00 N ATOM 368 CA THR A 24 -17.588 2.546 5.970 1.00 0.00 C ATOM 369 C THR A 24 -17.074 1.760 4.751 1.00 0.00 C ATOM 370 O THR A 24 -17.684 1.718 3.677 1.00 0.00 O ATOM 371 CB THR A 24 -19.062 2.958 5.941 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.360 3.591 7.181 1.00 0.00 O ATOM 373 CG2 THR A 24 -19.978 1.746 5.770 1.00 0.00 C ATOM 0 H THR A 24 -16.489 3.798 7.196 1.00 0.00 H new ATOM 0 HA THR A 24 -17.508 1.827 6.786 1.00 0.00 H new ATOM 0 HB THR A 24 -19.229 3.627 5.097 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.300 3.868 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.017 2.075 5.754 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.742 1.241 4.833 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.829 1.057 6.601 1.00 0.00 H new ATOM 381 N LEU A 25 -15.943 1.082 4.951 1.00 0.00 N ATOM 382 CA LEU A 25 -15.389 0.102 4.029 1.00 0.00 C ATOM 383 C LEU A 25 -15.655 -1.254 4.662 1.00 0.00 C ATOM 384 O LEU A 25 -15.722 -1.363 5.891 1.00 0.00 O ATOM 385 CB LEU A 25 -13.885 0.326 3.788 1.00 0.00 C ATOM 386 CG LEU A 25 -13.494 1.805 3.619 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.997 1.915 3.335 1.00 0.00 C ATOM 388 CD2 LEU A 25 -14.293 2.500 2.509 1.00 0.00 C ATOM 0 H LEU A 25 -15.373 1.207 5.787 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.852 0.183 3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.326 -0.094 4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.584 -0.223 2.896 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.733 2.314 4.553 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.725 2.964 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.437 1.487 4.166 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.759 1.373 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.978 3.541 2.431 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.113 1.995 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.356 2.459 2.746 1.00 0.00 H new ATOM 400 N THR A 26 -15.866 -2.268 3.836 1.00 0.00 N ATOM 401 CA THR A 26 -16.448 -3.512 4.302 1.00 0.00 C ATOM 402 C THR A 26 -15.395 -4.419 4.902 1.00 0.00 C ATOM 403 O THR A 26 -14.202 -4.109 4.945 1.00 0.00 O ATOM 404 CB THR A 26 -17.245 -4.173 3.169 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.428 -4.728 2.161 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.172 -3.168 2.494 1.00 0.00 C ATOM 0 H THR A 26 -15.642 -2.251 2.841 1.00 0.00 H new ATOM 0 HA THR A 26 -17.151 -3.303 5.109 1.00 0.00 H new ATOM 0 HB THR A 26 -17.808 -4.973 3.650 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.992 -5.135 1.470 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.725 -3.662 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.873 -2.770 3.228 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.582 -2.352 2.076 1.00 0.00 H new ATOM 414 N ASP A 27 -15.851 -5.570 5.375 1.00 0.00 N ATOM 415 CA ASP A 27 -14.973 -6.569 5.905 1.00 0.00 C ATOM 416 C ASP A 27 -14.223 -7.240 4.793 1.00 0.00 C ATOM 417 O ASP A 27 -13.066 -7.554 5.021 1.00 0.00 O ATOM 418 CB ASP A 27 -15.778 -7.589 6.682 1.00 0.00 C ATOM 419 CG ASP A 27 -14.884 -8.493 7.522 1.00 0.00 C ATOM 420 OD1 ASP A 27 -14.116 -7.952 8.364 1.00 0.00 O ATOM 421 OD2 ASP A 27 -14.984 -9.729 7.379 1.00 0.00 O ATOM 0 H ASP A 27 -16.839 -5.824 5.396 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.253 -6.096 6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.487 -7.075 7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.361 -8.196 5.990 1.00 0.00 H new ATOM 426 N ALA A 28 -14.836 -7.413 3.615 1.00 0.00 N ATOM 427 CA ALA A 28 -14.329 -8.283 2.555 1.00 0.00 C ATOM 428 C ALA A 28 -12.911 -7.928 2.112 1.00 0.00 C ATOM 429 O ALA A 28 -12.168 -8.800 1.689 1.00 0.00 O ATOM 430 CB ALA A 28 -15.282 -8.271 1.360 1.00 0.00 C ATOM 0 H ALA A 28 -15.709 -6.945 3.372 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.279 -9.289 2.973 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.893 -8.923 0.578 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.263 -8.627 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.370 -7.255 0.975 1.00 0.00 H new ATOM 436 N ILE A 29 -12.498 -6.685 2.330 1.00 0.00 N ATOM 437 CA ILE A 29 -11.156 -6.204 2.051 1.00 0.00 C ATOM 438 C ILE A 29 -10.108 -6.969 2.862 1.00 0.00 C ATOM 439 O ILE A 29 -8.963 -7.027 2.422 1.00 0.00 O ATOM 440 CB ILE A 29 -11.048 -4.682 2.274 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.116 -4.312 3.771 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.076 -3.931 1.404 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.250 -2.809 4.014 1.00 0.00 C ATOM 0 H ILE A 29 -13.108 -5.965 2.717 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.951 -6.394 0.997 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.062 -4.353 1.944 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.963 -4.824 4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.218 -4.676 4.270 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.984 -2.859 1.576 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.890 -4.147 0.352 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.082 -4.255 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.293 -2.616 5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.390 -2.293 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.163 -2.444 3.543 1.00 0.00 H new ATOM 455 N ASN A 30 -10.461 -7.560 4.018 1.00 0.00 N ATOM 456 CA ASN A 30 -9.595 -8.465 4.753 1.00 0.00 C ATOM 457 C ASN A 30 -9.060 -9.537 3.829 1.00 0.00 C ATOM 458 O ASN A 30 -7.898 -9.893 3.932 1.00 0.00 O ATOM 459 CB ASN A 30 -10.273 -9.082 5.980 1.00 0.00 C ATOM 460 CG ASN A 30 -11.056 -10.323 5.617 1.00 0.00 C ATOM 461 OD1 ASN A 30 -10.617 -11.463 5.745 1.00 0.00 O ATOM 462 ND2 ASN A 30 -12.201 -10.103 5.033 1.00 0.00 N ATOM 0 H ASN A 30 -11.367 -7.413 4.462 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.764 -7.873 5.136 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.519 -9.332 6.726 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.940 -8.350 6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.749 -10.885 4.673 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.549 -9.149 4.936 1.00 0.00 H new ATOM 469 N GLU A 31 -9.893 -10.011 2.912 1.00 0.00 N ATOM 470 CA GLU A 31 -9.559 -11.049 1.969 1.00 0.00 C ATOM 471 C GLU A 31 -8.582 -10.479 0.928 1.00 0.00 C ATOM 472 O GLU A 31 -7.608 -11.142 0.586 1.00 0.00 O ATOM 473 CB GLU A 31 -10.875 -11.634 1.409 1.00 0.00 C ATOM 474 CG GLU A 31 -11.098 -11.421 -0.090 1.00 0.00 C ATOM 475 CD GLU A 31 -12.432 -11.956 -0.603 1.00 0.00 C ATOM 476 OE1 GLU A 31 -12.843 -13.069 -0.194 1.00 0.00 O ATOM 477 OE2 GLU A 31 -13.050 -11.309 -1.476 1.00 0.00 O ATOM 0 H GLU A 31 -10.848 -9.667 2.808 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.032 -11.888 2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.894 -12.704 1.614 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.710 -11.191 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.039 -10.355 -0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.290 -11.904 -0.639 1.00 0.00 H new ATOM 484 N ASP A 32 -8.782 -9.252 0.453 1.00 0.00 N ATOM 485 CA ASP A 32 -7.924 -8.605 -0.543 1.00 0.00 C ATOM 486 C ASP A 32 -6.558 -8.244 0.036 1.00 0.00 C ATOM 487 O ASP A 32 -5.616 -8.060 -0.730 1.00 0.00 O ATOM 488 CB ASP A 32 -8.559 -7.308 -1.049 1.00 0.00 C ATOM 489 CG ASP A 32 -9.868 -7.519 -1.801 1.00 0.00 C ATOM 490 OD1 ASP A 32 -10.892 -7.753 -1.135 1.00 0.00 O ATOM 491 OD2 ASP A 32 -9.895 -7.298 -3.035 1.00 0.00 O ATOM 0 H ASP A 32 -9.560 -8.666 0.754 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.806 -9.322 -1.356 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.740 -6.648 -0.201 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.852 -6.799 -1.704 1.00 0.00 H new ATOM 496 N PHE A 33 -6.445 -8.087 1.362 1.00 0.00 N ATOM 497 CA PHE A 33 -5.199 -7.849 2.099 1.00 0.00 C ATOM 498 C PHE A 33 -4.538 -9.184 2.454 1.00 0.00 C ATOM 499 O PHE A 33 -3.337 -9.349 2.246 1.00 0.00 O ATOM 500 CB PHE A 33 -5.517 -7.050 3.395 1.00 0.00 C ATOM 501 CG PHE A 33 -5.763 -5.552 3.241 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.715 -4.702 2.858 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.030 -4.984 3.474 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.950 -3.341 2.595 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.282 -3.636 3.159 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.243 -2.809 2.717 1.00 0.00 C ATOM 0 H PHE A 33 -7.258 -8.124 1.977 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.512 -7.274 1.478 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.399 -7.492 3.858 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.689 -7.188 4.090 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.715 -5.098 2.764 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.817 -5.589 3.899 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.132 -2.702 2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.281 -3.238 3.259 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.434 -1.774 2.473 1.00 0.00 H new ATOM 516 N TYR A 34 -5.301 -10.141 2.976 1.00 0.00 N ATOM 517 CA TYR A 34 -4.843 -11.451 3.406 1.00 0.00 C ATOM 518 C TYR A 34 -4.354 -12.261 2.213 1.00 0.00 C ATOM 519 O TYR A 34 -3.220 -12.732 2.200 1.00 0.00 O ATOM 520 CB TYR A 34 -6.015 -12.152 4.099 1.00 0.00 C ATOM 521 CG TYR A 34 -5.790 -13.591 4.483 1.00 0.00 C ATOM 522 CD1 TYR A 34 -4.795 -13.925 5.418 1.00 0.00 C ATOM 523 CD2 TYR A 34 -6.612 -14.590 3.928 1.00 0.00 C ATOM 524 CE1 TYR A 34 -4.627 -15.262 5.812 1.00 0.00 C ATOM 525 CE2 TYR A 34 -6.462 -15.925 4.331 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.468 -16.261 5.277 1.00 0.00 C ATOM 527 OH TYR A 34 -5.325 -17.550 5.673 1.00 0.00 O ATOM 0 H TYR A 34 -6.303 -10.014 3.116 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.006 -11.354 4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.267 -11.592 4.999 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.882 -12.104 3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.161 -13.155 5.832 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.358 -14.329 3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.857 -15.525 6.522 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.103 -16.692 3.921 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.983 -18.109 5.210 1.00 0.00 H new ATOM 537 N ASN A 35 -5.194 -12.410 1.188 1.00 0.00 N ATOM 538 CA ASN A 35 -4.849 -13.164 -0.007 1.00 0.00 C ATOM 539 C ASN A 35 -3.981 -12.337 -0.958 1.00 0.00 C ATOM 540 O ASN A 35 -3.645 -12.853 -2.013 1.00 0.00 O ATOM 541 CB ASN A 35 -6.092 -13.623 -0.789 1.00 0.00 C ATOM 542 CG ASN A 35 -7.132 -14.384 0.012 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.874 -15.496 0.462 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.308 -13.796 0.171 1.00 0.00 N ATOM 0 H ASN A 35 -6.132 -12.009 1.168 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.300 -14.037 0.347 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.568 -12.745 -1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.765 -14.253 -1.616 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.049 -14.269 0.688 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.472 -12.870 -0.223 1.00 0.00 H new ATOM 551 N PHE A 36 -3.623 -11.086 -0.642 1.00 0.00 N ATOM 552 CA PHE A 36 -2.971 -10.146 -1.560 1.00 0.00 C ATOM 553 C PHE A 36 -1.801 -10.781 -2.322 1.00 0.00 C ATOM 554 O PHE A 36 -1.656 -10.572 -3.525 1.00 0.00 O ATOM 555 CB PHE A 36 -2.502 -8.930 -0.748 1.00 0.00 C ATOM 556 CG PHE A 36 -1.711 -7.889 -1.502 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.337 -7.050 -2.440 1.00 0.00 C ATOM 558 CD2 PHE A 36 -0.359 -7.694 -1.192 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.607 -6.020 -3.064 1.00 0.00 C ATOM 560 CE2 PHE A 36 0.356 -6.660 -1.808 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.256 -5.815 -2.736 1.00 0.00 C ATOM 0 H PHE A 36 -3.784 -10.690 0.284 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.691 -9.842 -2.320 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.379 -8.448 -0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.893 -9.287 0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.379 -7.195 -2.683 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.131 -8.340 -0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.086 -5.387 -3.796 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.397 -6.514 -1.562 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.302 -5.013 -3.196 1.00 0.00 H new ATOM 571 N TRP A 37 -0.989 -11.577 -1.624 1.00 0.00 N ATOM 572 CA TRP A 37 0.220 -12.195 -2.147 1.00 0.00 C ATOM 573 C TRP A 37 -0.006 -13.505 -2.929 1.00 0.00 C ATOM 574 O TRP A 37 0.978 -14.180 -3.256 1.00 0.00 O ATOM 575 CB TRP A 37 1.200 -12.364 -0.970 1.00 0.00 C ATOM 576 CG TRP A 37 1.686 -11.078 -0.362 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.518 -10.647 0.909 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.374 -9.990 -1.040 1.00 0.00 C ATOM 579 NE1 TRP A 37 2.174 -9.442 1.089 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.700 -8.974 -0.095 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.693 -9.740 -2.384 1.00 0.00 C ATOM 582 CZ2 TRP A 37 3.340 -7.782 -0.473 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.250 -8.523 -2.790 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.577 -7.548 -1.842 1.00 0.00 C ATOM 0 H TRP A 37 -1.165 -11.814 -0.648 1.00 0.00 H new ATOM 0 HA TRP A 37 0.641 -11.536 -2.907 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.714 -12.955 -0.194 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.062 -12.935 -1.313 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.955 -11.166 1.671 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.257 -8.961 1.985 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.504 -10.506 -3.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.644 -7.060 0.270 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.428 -8.336 -3.839 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.013 -6.613 -2.160 1.00 0.00 H new ATOM 595 N LYS A 38 -1.252 -13.901 -3.230 1.00 0.00 N ATOM 596 CA LYS A 38 -1.573 -15.073 -4.023 1.00 0.00 C ATOM 597 C LYS A 38 -1.020 -14.920 -5.430 1.00 0.00 C ATOM 598 O LYS A 38 -0.890 -13.828 -5.983 1.00 0.00 O ATOM 599 CB LYS A 38 -3.099 -15.214 -4.100 1.00 0.00 C ATOM 600 CG LYS A 38 -3.772 -16.313 -3.283 1.00 0.00 C ATOM 601 CD LYS A 38 -3.459 -16.328 -1.784 1.00 0.00 C ATOM 602 CE LYS A 38 -4.056 -17.566 -1.093 1.00 0.00 C ATOM 603 NZ LYS A 38 -5.535 -17.557 -1.042 1.00 0.00 N ATOM 0 H LYS A 38 -2.079 -13.394 -2.915 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.131 -15.955 -3.559 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.535 -14.262 -3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.365 -15.369 -5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.851 -16.220 -3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.485 -17.277 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.379 -16.314 -1.637 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.856 -15.425 -1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.724 -18.461 -1.618 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.666 -17.629 -0.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.873 -18.441 -0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.858 -16.748 -0.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.915 -17.475 -2.007 1.00 0.00 H new ATOM 617 N GLU A 39 -0.821 -16.067 -6.057 1.00 0.00 N ATOM 618 CA GLU A 39 -0.033 -16.225 -7.282 1.00 0.00 C ATOM 619 C GLU A 39 -0.768 -15.854 -8.582 1.00 0.00 C ATOM 620 O GLU A 39 -0.392 -16.292 -9.675 1.00 0.00 O ATOM 621 CB GLU A 39 0.504 -17.672 -7.316 1.00 0.00 C ATOM 622 CG GLU A 39 -0.632 -18.715 -7.307 1.00 0.00 C ATOM 623 CD GLU A 39 -0.157 -20.106 -7.726 1.00 0.00 C ATOM 624 OE1 GLU A 39 0.046 -20.320 -8.943 1.00 0.00 O ATOM 625 OE2 GLU A 39 -0.029 -21.013 -6.875 1.00 0.00 O ATOM 0 H GLU A 39 -1.214 -16.947 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 39 0.784 -15.505 -7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.115 -17.810 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.153 -17.837 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.063 -18.768 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.425 -18.388 -7.979 1.00 0.00 H new ATOM 632 N GLY A 40 -1.781 -15.002 -8.474 1.00 0.00 N ATOM 633 CA GLY A 40 -2.672 -14.640 -9.569 1.00 0.00 C ATOM 634 C GLY A 40 -3.928 -13.907 -9.093 1.00 0.00 C ATOM 635 O GLY A 40 -4.917 -13.878 -9.821 1.00 0.00 O ATOM 0 H GLY A 40 -2.011 -14.532 -7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.134 -14.008 -10.276 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.965 -15.542 -10.107 1.00 0.00 H new ATOM 639 N TYR A 41 -3.929 -13.366 -7.870 1.00 0.00 N ATOM 640 CA TYR A 41 -5.086 -12.691 -7.300 1.00 0.00 C ATOM 641 C TYR A 41 -5.258 -11.324 -7.942 1.00 0.00 C ATOM 642 O TYR A 41 -4.315 -10.523 -7.906 1.00 0.00 O ATOM 643 CB TYR A 41 -4.870 -12.562 -5.790 1.00 0.00 C ATOM 644 CG TYR A 41 -6.017 -11.971 -4.996 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.373 -10.610 -5.102 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.731 -12.810 -4.125 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.468 -10.114 -4.365 1.00 0.00 C ATOM 648 CE2 TYR A 41 -7.829 -12.322 -3.406 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.225 -10.977 -3.544 1.00 0.00 C ATOM 650 OH TYR A 41 -9.330 -10.525 -2.893 1.00 0.00 O ATOM 0 H TYR A 41 -3.120 -13.387 -7.249 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.993 -13.264 -7.490 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.651 -13.552 -5.390 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.985 -11.948 -5.622 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.809 -9.951 -5.745 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.431 -13.841 -4.009 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.729 -9.068 -4.429 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.374 -12.979 -2.744 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.970 -11.259 -2.786 1.00 0.00 H new ATOM 660 N GLU A 42 -6.460 -11.012 -8.432 1.00 0.00 N ATOM 661 CA GLU A 42 -6.799 -9.675 -8.863 1.00 0.00 C ATOM 662 C GLU A 42 -7.630 -8.909 -7.859 1.00 0.00 C ATOM 663 O GLU A 42 -8.442 -9.445 -7.120 1.00 0.00 O ATOM 664 CB GLU A 42 -7.543 -9.696 -10.196 1.00 0.00 C ATOM 665 CG GLU A 42 -6.556 -9.517 -11.335 1.00 0.00 C ATOM 666 CD GLU A 42 -5.863 -10.812 -11.738 1.00 0.00 C ATOM 667 OE1 GLU A 42 -6.528 -11.636 -12.409 1.00 0.00 O ATOM 668 OE2 GLU A 42 -4.631 -10.921 -11.572 1.00 0.00 O ATOM 0 H GLU A 42 -7.218 -11.687 -8.537 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.844 -9.161 -8.969 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.078 -10.639 -10.310 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.289 -8.901 -10.220 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.079 -9.108 -12.200 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.803 -8.785 -11.043 1.00 0.00 H new ATOM 675 N ILE A 43 -7.415 -7.605 -7.910 1.00 0.00 N ATOM 676 CA ILE A 43 -7.803 -6.600 -6.961 1.00 0.00 C ATOM 677 C ILE A 43 -8.677 -5.641 -7.767 1.00 0.00 C ATOM 678 O ILE A 43 -8.251 -5.145 -8.819 1.00 0.00 O ATOM 679 CB ILE A 43 -6.504 -5.954 -6.434 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.550 -7.002 -5.808 1.00 0.00 C ATOM 681 CG2 ILE A 43 -6.857 -4.853 -5.437 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.227 -6.426 -5.312 1.00 0.00 C ATOM 0 H ILE A 43 -6.915 -7.194 -8.698 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.357 -6.955 -6.092 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.967 -5.515 -7.275 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.058 -7.487 -4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.342 -7.775 -6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.942 -4.394 -5.062 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.466 -4.096 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.415 -5.281 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.618 -7.225 -4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.695 -5.967 -6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.421 -5.674 -4.547 1.00 0.00 H new ATOM 694 N LYS A 44 -9.918 -5.437 -7.324 1.00 0.00 N ATOM 695 CA LYS A 44 -10.931 -4.699 -8.064 1.00 0.00 C ATOM 696 C LYS A 44 -11.829 -3.832 -7.194 1.00 0.00 C ATOM 697 O LYS A 44 -12.406 -2.878 -7.717 1.00 0.00 O ATOM 698 CB LYS A 44 -11.805 -5.707 -8.839 1.00 0.00 C ATOM 699 CG LYS A 44 -11.127 -6.362 -10.034 1.00 0.00 C ATOM 700 CD LYS A 44 -10.835 -5.260 -11.052 1.00 0.00 C ATOM 701 CE LYS A 44 -10.568 -5.934 -12.375 1.00 0.00 C ATOM 702 NZ LYS A 44 -10.053 -4.963 -13.356 1.00 0.00 N ATOM 0 H LYS A 44 -10.249 -5.788 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.400 -4.019 -8.730 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.129 -6.488 -8.151 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.703 -5.195 -9.185 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.205 -6.857 -9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.770 -7.127 -10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.680 -4.577 -11.132 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.974 -4.668 -10.741 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -9.847 -6.740 -12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.486 -6.387 -12.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.875 -5.445 -14.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.754 -4.208 -13.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.166 -4.550 -13.003 1.00 0.00 H new ATOM 716 N ASN A 45 -11.978 -4.136 -5.907 1.00 0.00 N ATOM 717 CA ASN A 45 -12.780 -3.350 -4.990 1.00 0.00 C ATOM 718 C ASN A 45 -12.123 -1.986 -4.845 1.00 0.00 C ATOM 719 O ASN A 45 -11.039 -1.856 -4.276 1.00 0.00 O ATOM 720 CB ASN A 45 -12.903 -4.019 -3.608 1.00 0.00 C ATOM 721 CG ASN A 45 -14.281 -4.597 -3.349 1.00 0.00 C ATOM 722 OD1 ASN A 45 -15.290 -3.890 -3.388 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.355 -5.866 -3.015 1.00 0.00 N ATOM 0 H ASN A 45 -11.537 -4.946 -5.472 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.789 -3.261 -5.391 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.161 -4.814 -3.528 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.671 -3.287 -2.834 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.258 -6.280 -2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -13.510 -6.436 -2.988 1.00 0.00 H new ATOM 730 N ARG A 46 -12.820 -0.929 -5.253 1.00 0.00 N ATOM 731 CA ARG A 46 -12.480 0.449 -4.944 1.00 0.00 C ATOM 732 C ARG A 46 -12.318 0.627 -3.433 1.00 0.00 C ATOM 733 O ARG A 46 -11.535 1.463 -2.983 1.00 0.00 O ATOM 734 CB ARG A 46 -13.645 1.281 -5.508 1.00 0.00 C ATOM 735 CG ARG A 46 -13.623 2.739 -5.079 1.00 0.00 C ATOM 736 CD ARG A 46 -14.822 3.498 -5.663 1.00 0.00 C ATOM 737 NE ARG A 46 -14.727 4.939 -5.404 1.00 0.00 N ATOM 738 CZ ARG A 46 -14.958 5.578 -4.254 1.00 0.00 C ATOM 739 NH1 ARG A 46 -15.287 4.906 -3.151 1.00 0.00 N ATOM 740 NH2 ARG A 46 -14.844 6.902 -4.237 1.00 0.00 N ATOM 0 H ARG A 46 -13.661 -1.015 -5.824 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.532 0.761 -5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.620 1.232 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.586 0.833 -5.190 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.642 2.803 -3.991 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.695 3.206 -5.410 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.875 3.324 -6.738 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.744 3.110 -5.231 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.452 5.521 -6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.365 3.889 -3.178 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.460 5.408 -2.280 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.586 7.403 -5.087 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.014 7.417 -3.373 1.00 0.00 H new ATOM 754 N GLU A 47 -13.041 -0.177 -2.656 1.00 0.00 N ATOM 755 CA GLU A 47 -12.997 -0.203 -1.211 1.00 0.00 C ATOM 756 C GLU A 47 -11.586 -0.508 -0.695 1.00 0.00 C ATOM 757 O GLU A 47 -11.178 0.095 0.295 1.00 0.00 O ATOM 758 CB GLU A 47 -14.035 -1.217 -0.684 1.00 0.00 C ATOM 759 CG GLU A 47 -15.463 -0.926 -1.177 1.00 0.00 C ATOM 760 CD GLU A 47 -15.880 0.532 -0.968 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.299 0.862 0.162 1.00 0.00 O ATOM 762 OE2 GLU A 47 -15.788 1.325 -1.934 1.00 0.00 O ATOM 0 H GLU A 47 -13.699 -0.854 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.254 0.786 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.746 -2.220 -0.997 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.024 -1.207 0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.533 -1.170 -2.237 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.163 -1.577 -0.653 1.00 0.00 H new ATOM 769 N THR A 48 -10.810 -1.388 -1.343 1.00 0.00 N ATOM 770 CA THR A 48 -9.448 -1.667 -0.900 1.00 0.00 C ATOM 771 C THR A 48 -8.542 -0.498 -1.274 1.00 0.00 C ATOM 772 O THR A 48 -7.694 -0.107 -0.481 1.00 0.00 O ATOM 773 CB THR A 48 -8.907 -3.000 -1.434 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.512 -2.949 -2.790 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.879 -4.161 -1.302 1.00 0.00 C ATOM 0 H THR A 48 -11.104 -1.912 -2.168 1.00 0.00 H new ATOM 0 HA THR A 48 -9.464 -1.774 0.185 1.00 0.00 H new ATOM 0 HB THR A 48 -8.040 -3.171 -0.796 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.255 -2.614 -3.335 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.421 -5.066 -1.702 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.124 -4.312 -0.251 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.789 -3.938 -1.859 1.00 0.00 H new ATOM 783 N GLY A 49 -8.768 0.120 -2.437 1.00 0.00 N ATOM 784 CA GLY A 49 -8.059 1.312 -2.872 1.00 0.00 C ATOM 785 C GLY A 49 -8.161 2.418 -1.830 1.00 0.00 C ATOM 786 O GLY A 49 -7.145 2.966 -1.396 1.00 0.00 O ATOM 0 H GLY A 49 -9.462 -0.205 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.011 1.071 -3.051 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.472 1.660 -3.819 1.00 0.00 H new ATOM 790 N CYS A 50 -9.389 2.729 -1.402 1.00 0.00 N ATOM 791 CA CYS A 50 -9.592 3.712 -0.350 1.00 0.00 C ATOM 792 C CYS A 50 -9.104 3.229 1.019 1.00 0.00 C ATOM 793 O CYS A 50 -8.650 4.053 1.806 1.00 0.00 O ATOM 794 CB CYS A 50 -11.047 4.195 -0.308 1.00 0.00 C ATOM 795 SG CYS A 50 -11.108 5.971 -0.660 1.00 0.00 S ATOM 0 H CYS A 50 -10.246 2.315 -1.768 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.969 4.571 -0.601 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.643 3.649 -1.039 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.480 3.993 0.672 1.00 0.00 H new ATOM 800 N ALA A 51 -9.153 1.931 1.331 1.00 0.00 N ATOM 801 CA ALA A 51 -8.588 1.418 2.579 1.00 0.00 C ATOM 802 C ALA A 51 -7.077 1.643 2.617 1.00 0.00 C ATOM 803 O ALA A 51 -6.566 2.189 3.590 1.00 0.00 O ATOM 804 CB ALA A 51 -8.913 -0.064 2.763 1.00 0.00 C ATOM 0 H ALA A 51 -9.577 1.219 0.737 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.042 1.968 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.480 -0.418 3.699 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.994 -0.199 2.789 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.496 -0.634 1.932 1.00 0.00 H new ATOM 810 N ILE A 52 -6.367 1.254 1.555 1.00 0.00 N ATOM 811 CA ILE A 52 -4.935 1.462 1.374 1.00 0.00 C ATOM 812 C ILE A 52 -4.637 2.951 1.573 1.00 0.00 C ATOM 813 O ILE A 52 -3.775 3.301 2.373 1.00 0.00 O ATOM 814 CB ILE A 52 -4.490 0.895 -0.005 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.490 -0.653 0.051 1.00 0.00 C ATOM 816 CG2 ILE A 52 -3.100 1.398 -0.442 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.380 -1.358 -1.309 1.00 0.00 C ATOM 0 H ILE A 52 -6.795 0.766 0.768 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.348 0.918 2.114 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.204 1.253 -0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.660 -0.978 0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.407 -0.983 0.540 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.845 0.968 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.114 2.485 -0.520 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.356 1.097 0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.389 -2.438 -1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.224 -1.071 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.450 -1.066 -1.796 1.00 0.00 H new ATOM 829 N MET A 53 -5.374 3.836 0.900 1.00 0.00 N ATOM 830 CA MET A 53 -5.188 5.277 1.020 1.00 0.00 C ATOM 831 C MET A 53 -5.404 5.784 2.448 1.00 0.00 C ATOM 832 O MET A 53 -4.605 6.577 2.948 1.00 0.00 O ATOM 833 CB MET A 53 -6.152 5.964 0.062 1.00 0.00 C ATOM 834 CG MET A 53 -5.925 7.472 0.033 1.00 0.00 C ATOM 835 SD MET A 53 -6.656 8.244 -1.422 1.00 0.00 S ATOM 836 CE MET A 53 -8.369 7.715 -1.177 1.00 0.00 C ATOM 0 H MET A 53 -6.118 3.570 0.255 1.00 0.00 H new ATOM 0 HA MET A 53 -4.155 5.513 0.766 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.024 5.556 -0.941 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.178 5.754 0.363 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.351 7.919 0.931 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.855 7.677 0.051 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.025 8.291 -1.830 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.460 6.655 -1.414 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.656 7.880 -0.138 1.00 0.00 H new ATOM 846 N CYS A 54 -6.463 5.332 3.116 1.00 0.00 N ATOM 847 CA CYS A 54 -6.776 5.739 4.476 1.00 0.00 C ATOM 848 C CYS A 54 -5.675 5.277 5.427 1.00 0.00 C ATOM 849 O CYS A 54 -5.231 6.033 6.288 1.00 0.00 O ATOM 850 CB CYS A 54 -8.142 5.174 4.875 1.00 0.00 C ATOM 851 SG CYS A 54 -8.701 5.718 6.500 1.00 0.00 S ATOM 0 H CYS A 54 -7.130 4.668 2.722 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.827 6.826 4.535 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.880 5.469 4.129 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -8.093 4.085 4.862 1.00 0.00 H new ATOM 856 N LEU A 55 -5.202 4.041 5.270 1.00 0.00 N ATOM 857 CA LEU A 55 -4.070 3.550 6.031 1.00 0.00 C ATOM 858 C LEU A 55 -2.872 4.456 5.758 1.00 0.00 C ATOM 859 O LEU A 55 -2.292 4.952 6.714 1.00 0.00 O ATOM 860 CB LEU A 55 -3.762 2.090 5.665 1.00 0.00 C ATOM 861 CG LEU A 55 -4.763 1.060 6.212 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.383 -0.335 5.704 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.778 1.085 7.745 1.00 0.00 C ATOM 0 H LEU A 55 -5.593 3.363 4.616 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.301 3.571 7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.730 2.002 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.768 1.840 6.035 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.764 1.312 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.091 -1.068 6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.408 -0.345 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.379 -0.586 6.046 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.493 0.349 8.114 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.784 0.846 8.123 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.068 2.077 8.090 1.00 0.00 H new ATOM 875 N SER A 56 -2.522 4.736 4.499 1.00 0.00 N ATOM 876 CA SER A 56 -1.427 5.641 4.166 1.00 0.00 C ATOM 877 C SER A 56 -1.599 7.017 4.822 1.00 0.00 C ATOM 878 O SER A 56 -0.629 7.506 5.398 1.00 0.00 O ATOM 879 CB SER A 56 -1.241 5.742 2.647 1.00 0.00 C ATOM 880 OG SER A 56 -0.726 4.521 2.143 1.00 0.00 O ATOM 0 H SER A 56 -2.992 4.340 3.685 1.00 0.00 H new ATOM 0 HA SER A 56 -0.511 5.218 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.194 5.970 2.169 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.561 6.560 2.408 1.00 0.00 H new ATOM 0 HG SER A 56 -0.611 4.590 1.172 1.00 0.00 H new ATOM 886 N THR A 57 -2.800 7.609 4.846 1.00 0.00 N ATOM 887 CA THR A 57 -3.071 8.805 5.647 1.00 0.00 C ATOM 888 C THR A 57 -2.579 8.582 7.081 1.00 0.00 C ATOM 889 O THR A 57 -1.807 9.381 7.605 1.00 0.00 O ATOM 890 CB THR A 57 -4.573 9.161 5.644 1.00 0.00 C ATOM 891 OG1 THR A 57 -5.001 9.636 4.380 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.865 10.192 6.736 1.00 0.00 C ATOM 0 H THR A 57 -3.604 7.274 4.315 1.00 0.00 H new ATOM 0 HA THR A 57 -2.535 9.644 5.203 1.00 0.00 H new ATOM 0 HB THR A 57 -5.135 8.250 5.851 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.957 9.849 4.417 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.927 10.439 6.729 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.595 9.779 7.708 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.281 11.094 6.550 1.00 0.00 H new ATOM 900 N LYS A 58 -3.013 7.497 7.724 1.00 0.00 N ATOM 901 CA LYS A 58 -2.718 7.264 9.129 1.00 0.00 C ATOM 902 C LYS A 58 -1.230 7.015 9.404 1.00 0.00 C ATOM 903 O LYS A 58 -0.830 7.083 10.565 1.00 0.00 O ATOM 904 CB LYS A 58 -3.550 6.116 9.689 1.00 0.00 C ATOM 905 CG LYS A 58 -5.077 6.254 9.502 1.00 0.00 C ATOM 906 CD LYS A 58 -5.853 6.183 10.825 1.00 0.00 C ATOM 907 CE LYS A 58 -7.354 5.991 10.582 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.770 4.595 10.711 1.00 0.00 N ATOM 0 H LYS A 58 -3.573 6.765 7.287 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.989 8.187 9.642 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.225 5.189 9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.338 6.022 10.754 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.293 7.203 9.011 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.429 5.464 8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.472 5.359 11.428 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.689 7.098 11.395 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.914 6.600 11.291 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.606 6.351 9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.796 4.552 10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.538 4.082 9.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.272 4.157 11.512 1.00 0.00 H new ATOM 922 N LEU A 59 -0.395 6.668 8.414 1.00 0.00 N ATOM 923 CA LEU A 59 1.059 6.613 8.590 1.00 0.00 C ATOM 924 C LEU A 59 1.721 7.935 8.169 1.00 0.00 C ATOM 925 O LEU A 59 2.945 7.983 8.005 1.00 0.00 O ATOM 926 CB LEU A 59 1.695 5.447 7.809 1.00 0.00 C ATOM 927 CG LEU A 59 1.392 4.021 8.284 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.546 3.809 9.793 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.023 3.544 7.836 1.00 0.00 C ATOM 0 H LEU A 59 -0.708 6.420 7.476 1.00 0.00 H new ATOM 0 HA LEU A 59 1.234 6.447 9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.379 5.528 6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.776 5.583 7.825 1.00 0.00 H new ATOM 0 HG LEU A 59 2.159 3.415 7.801 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.312 2.774 10.041 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.571 4.030 10.089 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.864 4.472 10.325 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.145 2.529 8.197 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.743 4.205 8.242 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.028 3.555 6.747 1.00 0.00 H new ATOM 941 N ASN A 60 0.938 8.995 7.955 1.00 0.00 N ATOM 942 CA ASN A 60 1.348 10.298 7.440 1.00 0.00 C ATOM 943 C ASN A 60 2.018 10.168 6.070 1.00 0.00 C ATOM 944 O ASN A 60 2.902 10.950 5.726 1.00 0.00 O ATOM 945 CB ASN A 60 2.272 11.067 8.397 1.00 0.00 C ATOM 946 CG ASN A 60 1.947 11.028 9.878 1.00 0.00 C ATOM 947 OD1 ASN A 60 1.951 9.991 10.534 1.00 0.00 O ATOM 948 ND2 ASN A 60 1.835 12.175 10.505 1.00 0.00 N ATOM 0 H ASN A 60 -0.063 8.961 8.150 1.00 0.00 H new ATOM 0 HA ASN A 60 0.429 10.876 7.342 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.284 10.683 8.266 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.284 12.111 8.084 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.753 12.195 11.522 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.830 13.047 9.976 1.00 0.00 H new ATOM 955 N MET A 61 1.647 9.163 5.276 1.00 0.00 N ATOM 956 CA MET A 61 2.303 8.895 3.994 1.00 0.00 C ATOM 957 C MET A 61 1.820 9.836 2.887 1.00 0.00 C ATOM 958 O MET A 61 2.089 9.566 1.721 1.00 0.00 O ATOM 959 CB MET A 61 2.182 7.409 3.592 1.00 0.00 C ATOM 960 CG MET A 61 3.382 6.590 4.069 1.00 0.00 C ATOM 961 SD MET A 61 3.866 5.315 2.879 1.00 0.00 S ATOM 962 CE MET A 61 2.875 3.978 3.554 1.00 0.00 C ATOM 0 H MET A 61 0.890 8.517 5.500 1.00 0.00 H new ATOM 0 HA MET A 61 3.364 9.103 4.130 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.267 6.992 4.014 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.098 7.332 2.508 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.226 7.257 4.246 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.141 6.120 5.023 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.026 3.077 2.959 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.175 3.787 4.584 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.822 4.257 3.529 1.00 0.00 H new ATOM 972 N LEU A 62 1.145 10.935 3.222 1.00 0.00 N ATOM 973 CA LEU A 62 0.689 11.962 2.304 1.00 0.00 C ATOM 974 C LEU A 62 1.254 13.266 2.846 1.00 0.00 C ATOM 975 O LEU A 62 0.953 13.636 3.982 1.00 0.00 O ATOM 976 CB LEU A 62 -0.850 11.968 2.244 1.00 0.00 C ATOM 977 CG LEU A 62 -1.478 10.656 1.731 1.00 0.00 C ATOM 978 CD1 LEU A 62 -3.004 10.761 1.774 1.00 0.00 C ATOM 979 CD2 LEU A 62 -1.047 10.309 0.301 1.00 0.00 C ATOM 0 H LEU A 62 0.892 11.137 4.189 1.00 0.00 H new ATOM 0 HA LEU A 62 1.027 11.797 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.239 12.176 3.241 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.172 12.786 1.600 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.124 9.861 2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.443 9.832 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.328 10.939 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.330 11.587 1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.520 9.376 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.350 11.109 -0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.036 10.195 0.265 1.00 0.00 H new ATOM 991 N ASP A 63 2.108 13.930 2.072 1.00 0.00 N ATOM 992 CA ASP A 63 2.649 15.253 2.400 1.00 0.00 C ATOM 993 C ASP A 63 1.506 16.266 2.163 1.00 0.00 C ATOM 994 O ASP A 63 0.387 15.865 1.808 1.00 0.00 O ATOM 995 CB ASP A 63 3.897 15.525 1.526 1.00 0.00 C ATOM 996 CG ASP A 63 5.208 15.905 2.224 1.00 0.00 C ATOM 997 OD1 ASP A 63 5.201 16.318 3.400 1.00 0.00 O ATOM 998 OD2 ASP A 63 6.273 15.810 1.568 1.00 0.00 O ATOM 0 H ASP A 63 2.451 13.562 1.185 1.00 0.00 H new ATOM 0 HA ASP A 63 2.981 15.331 3.435 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.085 14.632 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.647 16.326 0.831 1.00 0.00 H new ATOM 1003 N PRO A 64 1.705 17.577 2.357 1.00 0.00 N ATOM 1004 CA PRO A 64 0.655 18.591 2.236 1.00 0.00 C ATOM 1005 C PRO A 64 0.349 18.920 0.758 1.00 0.00 C ATOM 1006 O PRO A 64 0.184 20.082 0.384 1.00 0.00 O ATOM 1007 CB PRO A 64 1.200 19.781 3.042 1.00 0.00 C ATOM 1008 CG PRO A 64 2.718 19.649 2.987 1.00 0.00 C ATOM 1009 CD PRO A 64 2.962 18.166 2.762 1.00 0.00 C ATOM 0 HA PRO A 64 -0.311 18.265 2.623 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.873 20.728 2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.841 19.756 4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.140 20.248 2.180 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.180 19.992 3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.722 18.014 1.995 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.330 17.695 3.673 1.00 0.00 H new ATOM 1017 N GLU A 65 0.257 17.883 -0.071 1.00 0.00 N ATOM 1018 CA GLU A 65 0.120 17.903 -1.525 1.00 0.00 C ATOM 1019 C GLU A 65 -0.728 16.714 -1.983 1.00 0.00 C ATOM 1020 O GLU A 65 -1.362 16.780 -3.032 1.00 0.00 O ATOM 1021 CB GLU A 65 1.503 17.755 -2.176 1.00 0.00 C ATOM 1022 CG GLU A 65 2.474 18.893 -1.843 1.00 0.00 C ATOM 1023 CD GLU A 65 2.281 20.131 -2.725 1.00 0.00 C ATOM 1024 OE1 GLU A 65 1.150 20.361 -3.210 1.00 0.00 O ATOM 1025 OE2 GLU A 65 3.289 20.816 -3.006 1.00 0.00 O ATOM 0 H GLU A 65 0.278 16.928 0.287 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.347 18.844 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.944 16.810 -1.858 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.380 17.701 -3.258 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.347 19.176 -0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.497 18.533 -1.953 1.00 0.00 H new ATOM 1032 N GLY A 66 -0.721 15.607 -1.230 1.00 0.00 N ATOM 1033 CA GLY A 66 -1.498 14.421 -1.567 1.00 0.00 C ATOM 1034 C GLY A 66 -0.888 13.604 -2.712 1.00 0.00 C ATOM 1035 O GLY A 66 -1.632 12.918 -3.416 1.00 0.00 O ATOM 0 H GLY A 66 -0.176 15.514 -0.373 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.584 13.788 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.508 14.723 -1.843 1.00 0.00 H new ATOM 1039 N ASN A 67 0.433 13.666 -2.893 1.00 0.00 N ATOM 1040 CA ASN A 67 1.219 12.944 -3.900 1.00 0.00 C ATOM 1041 C ASN A 67 2.414 12.291 -3.183 1.00 0.00 C ATOM 1042 O ASN A 67 3.568 12.552 -3.516 1.00 0.00 O ATOM 1043 CB ASN A 67 1.657 13.889 -5.036 1.00 0.00 C ATOM 1044 CG ASN A 67 0.491 14.564 -5.744 1.00 0.00 C ATOM 1045 OD1 ASN A 67 -0.177 13.988 -6.597 1.00 0.00 O ATOM 1046 ND2 ASN A 67 0.204 15.810 -5.397 1.00 0.00 N ATOM 0 H ASN A 67 1.020 14.258 -2.305 1.00 0.00 H new ATOM 0 HA ASN A 67 0.620 12.167 -4.374 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.317 14.654 -4.628 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.237 13.324 -5.765 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.576 16.296 -5.840 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.763 16.283 -4.687 1.00 0.00 H new ATOM 1053 N LEU A 68 2.104 11.519 -2.130 1.00 0.00 N ATOM 1054 CA LEU A 68 2.936 10.811 -1.146 1.00 0.00 C ATOM 1055 C LEU A 68 3.936 11.687 -0.383 1.00 0.00 C ATOM 1056 O LEU A 68 4.448 12.688 -0.878 1.00 0.00 O ATOM 1057 CB LEU A 68 3.558 9.558 -1.780 1.00 0.00 C ATOM 1058 CG LEU A 68 4.430 8.645 -0.882 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.105 7.156 -1.033 1.00 0.00 C ATOM 1060 CD2 LEU A 68 5.912 8.783 -1.235 1.00 0.00 C ATOM 0 H LEU A 68 1.119 11.355 -1.921 1.00 0.00 H new ATOM 0 HA LEU A 68 2.266 10.488 -0.349 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.748 8.952 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.169 9.879 -2.623 1.00 0.00 H new ATOM 0 HG LEU A 68 4.213 8.972 0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.752 6.574 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.063 6.982 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.268 6.851 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.502 8.132 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.066 8.499 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.226 9.817 -1.091 1.00 0.00 H new ATOM 1072 N HIS A 69 4.165 11.352 0.883 1.00 0.00 N ATOM 1073 CA HIS A 69 5.174 11.966 1.730 1.00 0.00 C ATOM 1074 C HIS A 69 6.442 11.141 1.567 1.00 0.00 C ATOM 1075 O HIS A 69 6.622 10.136 2.252 1.00 0.00 O ATOM 1076 CB HIS A 69 4.685 11.988 3.186 1.00 0.00 C ATOM 1077 CG HIS A 69 5.449 12.903 4.106 1.00 0.00 C ATOM 1078 ND1 HIS A 69 6.812 13.063 4.165 1.00 0.00 N ATOM 1079 CD2 HIS A 69 4.904 13.692 5.080 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.098 13.865 5.200 1.00 0.00 C ATOM 1081 NE2 HIS A 69 5.963 14.252 5.809 1.00 0.00 N ATOM 0 H HIS A 69 3.635 10.622 1.360 1.00 0.00 H new ATOM 0 HA HIS A 69 5.369 13.001 1.449 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.636 12.283 3.195 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.735 10.975 3.584 1.00 0.00 H new ATOM 0 HD2 HIS A 69 3.851 13.854 5.256 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.093 14.157 5.501 1.00 0.00 H new ATOM 0 HE2 HIS A 69 5.887 14.839 6.640 1.00 0.00 H new ATOM 1089 N HIS A 70 7.319 11.547 0.656 1.00 0.00 N ATOM 1090 CA HIS A 70 8.563 10.853 0.341 1.00 0.00 C ATOM 1091 C HIS A 70 9.404 10.605 1.597 1.00 0.00 C ATOM 1092 O HIS A 70 10.007 9.539 1.734 1.00 0.00 O ATOM 1093 CB HIS A 70 9.302 11.664 -0.728 1.00 0.00 C ATOM 1094 CG HIS A 70 8.417 11.934 -1.921 1.00 0.00 C ATOM 1095 ND1 HIS A 70 7.774 13.116 -2.225 1.00 0.00 N ATOM 1096 CD2 HIS A 70 7.940 10.975 -2.770 1.00 0.00 C ATOM 1097 CE1 HIS A 70 6.934 12.858 -3.246 1.00 0.00 C ATOM 1098 NE2 HIS A 70 6.995 11.565 -3.600 1.00 0.00 N ATOM 0 H HIS A 70 7.181 12.391 0.101 1.00 0.00 H new ATOM 0 HA HIS A 70 8.353 9.860 -0.057 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.640 12.609 -0.302 1.00 0.00 H new ATOM 0 HB3 HIS A 70 10.192 11.122 -1.048 1.00 0.00 H new ATOM 0 HD1 HIS A 70 7.909 14.016 -1.764 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.245 9.939 -2.792 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.297 13.593 -3.716 1.00 0.00 H new ATOM 1106 N GLY A 71 9.373 11.554 2.533 1.00 0.00 N ATOM 1107 CA GLY A 71 9.842 11.441 3.901 1.00 0.00 C ATOM 1108 C GLY A 71 9.175 10.300 4.662 1.00 0.00 C ATOM 1109 O GLY A 71 9.762 9.231 4.785 1.00 0.00 O ATOM 0 H GLY A 71 8.993 12.480 2.336 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.921 11.288 3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 71 9.654 12.379 4.423 1.00 0.00 H new ATOM 1113 N ASN A 72 7.957 10.491 5.183 1.00 0.00 N ATOM 1114 CA ASN A 72 7.308 9.527 6.080 1.00 0.00 C ATOM 1115 C ASN A 72 7.119 8.145 5.442 1.00 0.00 C ATOM 1116 O ASN A 72 7.018 7.167 6.182 1.00 0.00 O ATOM 1117 CB ASN A 72 5.963 10.053 6.618 1.00 0.00 C ATOM 1118 CG ASN A 72 6.086 10.624 8.027 1.00 0.00 C ATOM 1119 OD1 ASN A 72 6.689 11.674 8.208 1.00 0.00 O ATOM 1120 ND2 ASN A 72 5.528 9.989 9.046 1.00 0.00 N ATOM 0 H ASN A 72 7.393 11.320 4.994 1.00 0.00 H new ATOM 0 HA ASN A 72 7.993 9.407 6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.583 10.824 5.948 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.233 9.243 6.619 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.599 10.374 9.988 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.027 9.115 8.889 1.00 0.00 H new ATOM 1127 N ALA A 73 7.086 8.044 4.109 1.00 0.00 N ATOM 1128 CA ALA A 73 7.155 6.800 3.351 1.00 0.00 C ATOM 1129 C ALA A 73 8.495 6.092 3.592 1.00 0.00 C ATOM 1130 O ALA A 73 8.498 4.938 4.028 1.00 0.00 O ATOM 1131 CB ALA A 73 6.936 7.087 1.865 1.00 0.00 C ATOM 0 H ALA A 73 7.007 8.864 3.508 1.00 0.00 H new ATOM 0 HA ALA A 73 6.366 6.130 3.692 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.988 6.155 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.956 7.542 1.723 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.708 7.769 1.509 1.00 0.00 H new ATOM 1137 N MET A 74 9.621 6.758 3.310 1.00 0.00 N ATOM 1138 CA MET A 74 10.961 6.220 3.506 1.00 0.00 C ATOM 1139 C MET A 74 11.237 5.932 4.980 1.00 0.00 C ATOM 1140 O MET A 74 11.842 4.911 5.312 1.00 0.00 O ATOM 1141 CB MET A 74 12.016 7.217 2.994 1.00 0.00 C ATOM 1142 CG MET A 74 13.406 6.582 3.171 1.00 0.00 C ATOM 1143 SD MET A 74 14.601 6.824 1.847 1.00 0.00 S ATOM 1144 CE MET A 74 13.769 5.937 0.514 1.00 0.00 C ATOM 0 H MET A 74 9.620 7.705 2.932 1.00 0.00 H new ATOM 0 HA MET A 74 11.021 5.287 2.945 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.837 7.454 1.945 1.00 0.00 H new ATOM 0 HB3 MET A 74 11.953 8.154 3.547 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.840 6.972 4.092 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.271 5.510 3.311 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.501 5.362 -0.053 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.025 5.261 0.936 1.00 0.00 H new ATOM 0 HE3 MET A 74 13.277 6.651 -0.147 1.00 0.00 H new ATOM 1154 N GLU A 75 10.834 6.848 5.856 1.00 0.00 N ATOM 1155 CA GLU A 75 11.107 6.767 7.279 1.00 0.00 C ATOM 1156 C GLU A 75 10.447 5.505 7.815 1.00 0.00 C ATOM 1157 O GLU A 75 11.121 4.699 8.444 1.00 0.00 O ATOM 1158 CB GLU A 75 10.597 8.029 7.969 1.00 0.00 C ATOM 1159 CG GLU A 75 11.420 9.262 7.561 1.00 0.00 C ATOM 1160 CD GLU A 75 12.635 9.485 8.463 1.00 0.00 C ATOM 1161 OE1 GLU A 75 13.616 8.703 8.382 1.00 0.00 O ATOM 1162 OE2 GLU A 75 12.567 10.408 9.307 1.00 0.00 O ATOM 0 H GLU A 75 10.302 7.676 5.589 1.00 0.00 H new ATOM 0 HA GLU A 75 12.177 6.707 7.476 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.549 8.188 7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.645 7.899 9.050 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.754 9.146 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.783 10.146 7.592 1.00 0.00 H new ATOM 1169 N PHE A 76 9.170 5.274 7.479 1.00 0.00 N ATOM 1170 CA PHE A 76 8.470 4.047 7.832 1.00 0.00 C ATOM 1171 C PHE A 76 9.272 2.818 7.409 1.00 0.00 C ATOM 1172 O PHE A 76 9.374 1.868 8.182 1.00 0.00 O ATOM 1173 CB PHE A 76 7.104 3.999 7.130 1.00 0.00 C ATOM 1174 CG PHE A 76 6.145 2.973 7.696 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.530 3.185 8.943 1.00 0.00 C ATOM 1176 CD2 PHE A 76 5.860 1.803 6.973 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.614 2.243 9.452 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.005 0.827 7.513 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.347 1.064 8.729 1.00 0.00 C ATOM 0 H PHE A 76 8.600 5.938 6.955 1.00 0.00 H new ATOM 0 HA PHE A 76 8.340 4.040 8.914 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.642 4.984 7.193 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.260 3.788 6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.761 4.073 9.513 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.300 1.653 5.998 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.118 2.425 10.394 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.854 -0.107 6.991 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.637 0.344 9.110 1.00 0.00 H new ATOM 1189 N ALA A 77 9.822 2.837 6.196 1.00 0.00 N ATOM 1190 CA ALA A 77 10.597 1.746 5.647 1.00 0.00 C ATOM 1191 C ALA A 77 11.821 1.473 6.521 1.00 0.00 C ATOM 1192 O ALA A 77 11.920 0.404 7.129 1.00 0.00 O ATOM 1193 CB ALA A 77 10.959 2.063 4.194 1.00 0.00 C ATOM 0 H ALA A 77 9.735 3.631 5.562 1.00 0.00 H new ATOM 0 HA ALA A 77 10.009 0.828 5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.543 1.243 3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.047 2.191 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.545 2.981 4.157 1.00 0.00 H new ATOM 1199 N LYS A 78 12.761 2.423 6.584 1.00 0.00 N ATOM 1200 CA LYS A 78 14.013 2.259 7.314 1.00 0.00 C ATOM 1201 C LYS A 78 13.735 1.905 8.775 1.00 0.00 C ATOM 1202 O LYS A 78 14.404 1.021 9.312 1.00 0.00 O ATOM 1203 CB LYS A 78 14.869 3.534 7.184 1.00 0.00 C ATOM 1204 CG LYS A 78 16.044 3.382 6.194 1.00 0.00 C ATOM 1205 CD LYS A 78 15.816 4.006 4.800 1.00 0.00 C ATOM 1206 CE LYS A 78 17.049 4.772 4.290 1.00 0.00 C ATOM 1207 NZ LYS A 78 17.365 5.975 5.096 1.00 0.00 N ATOM 0 H LYS A 78 12.669 3.330 6.126 1.00 0.00 H new ATOM 0 HA LYS A 78 14.578 1.433 6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.234 4.358 6.860 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.262 3.801 8.165 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.931 3.835 6.636 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.257 2.320 6.068 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.562 3.219 4.090 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.963 4.684 4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.910 4.104 4.293 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.881 5.070 3.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.002 6.596 4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.486 6.487 5.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.828 5.688 5.982 1.00 0.00 H new ATOM 1221 N LYS A 79 12.718 2.523 9.377 1.00 0.00 N ATOM 1222 CA LYS A 79 12.240 2.270 10.729 1.00 0.00 C ATOM 1223 C LYS A 79 11.986 0.793 10.989 1.00 0.00 C ATOM 1224 O LYS A 79 12.369 0.299 12.044 1.00 0.00 O ATOM 1225 CB LYS A 79 10.998 3.132 10.944 1.00 0.00 C ATOM 1226 CG LYS A 79 10.337 2.973 12.307 1.00 0.00 C ATOM 1227 CD LYS A 79 9.276 4.058 12.499 1.00 0.00 C ATOM 1228 CE LYS A 79 7.949 3.625 11.883 1.00 0.00 C ATOM 1229 NZ LYS A 79 6.803 4.296 12.521 1.00 0.00 N ATOM 0 H LYS A 79 12.180 3.251 8.907 1.00 0.00 H new ATOM 0 HA LYS A 79 13.007 2.544 11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.272 4.178 10.809 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.268 2.891 10.172 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.880 1.987 12.387 1.00 0.00 H new ATOM 0 HG3 LYS A 79 11.087 3.041 13.095 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.142 4.259 13.562 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.611 4.988 12.039 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.953 3.849 10.816 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.838 2.545 11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.920 3.975 12.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.784 4.062 13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.895 5.325 12.405 1.00 0.00 H new ATOM 1243 N HIS A 80 11.328 0.075 10.082 1.00 0.00 N ATOM 1244 CA HIS A 80 11.027 -1.343 10.275 1.00 0.00 C ATOM 1245 C HIS A 80 12.209 -2.259 9.930 1.00 0.00 C ATOM 1246 O HIS A 80 12.061 -3.473 10.082 1.00 0.00 O ATOM 1247 CB HIS A 80 9.798 -1.720 9.444 1.00 0.00 C ATOM 1248 CG HIS A 80 8.535 -1.092 9.970 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.270 0.246 10.076 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.463 -1.756 10.485 1.00 0.00 C ATOM 1251 CE1 HIS A 80 7.090 0.390 10.687 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.551 -0.808 10.961 1.00 0.00 N ATOM 0 H HIS A 80 10.990 0.456 9.198 1.00 0.00 H new ATOM 0 HA HIS A 80 10.823 -1.492 11.335 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.952 -1.409 8.411 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.686 -2.804 9.437 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.869 1.003 9.746 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.339 -2.828 10.520 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.634 1.339 10.927 1.00 0.00 H new ATOM 1260 N GLY A 81 13.339 -1.723 9.452 1.00 0.00 N ATOM 1261 CA GLY A 81 14.522 -2.492 9.076 1.00 0.00 C ATOM 1262 C GLY A 81 14.810 -2.494 7.573 1.00 0.00 C ATOM 1263 O GLY A 81 15.633 -3.291 7.122 1.00 0.00 O ATOM 0 H GLY A 81 13.454 -0.719 9.314 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.388 -2.088 9.601 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.396 -3.521 9.413 1.00 0.00 H new ATOM 1267 N ALA A 82 14.116 -1.677 6.767 1.00 0.00 N ATOM 1268 CA ALA A 82 14.260 -1.733 5.313 1.00 0.00 C ATOM 1269 C ALA A 82 15.679 -1.365 4.886 1.00 0.00 C ATOM 1270 O ALA A 82 16.314 -0.515 5.513 1.00 0.00 O ATOM 1271 CB ALA A 82 13.288 -0.768 4.638 1.00 0.00 C ATOM 0 H ALA A 82 13.454 -0.975 7.099 1.00 0.00 H new ATOM 0 HA ALA A 82 14.042 -2.756 5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.411 -0.825 3.556 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.265 -1.038 4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.493 0.249 4.974 1.00 0.00 H new ATOM 1277 N ASP A 83 16.141 -1.961 3.787 1.00 0.00 N ATOM 1278 CA ASP A 83 17.412 -1.589 3.168 1.00 0.00 C ATOM 1279 C ASP A 83 17.234 -0.228 2.488 1.00 0.00 C ATOM 1280 O ASP A 83 16.113 0.166 2.159 1.00 0.00 O ATOM 1281 CB ASP A 83 17.927 -2.630 2.150 1.00 0.00 C ATOM 1282 CG ASP A 83 17.760 -4.107 2.528 1.00 0.00 C ATOM 1283 OD1 ASP A 83 17.847 -4.463 3.722 1.00 0.00 O ATOM 1284 OD2 ASP A 83 17.486 -4.930 1.617 1.00 0.00 O ATOM 0 H ASP A 83 15.648 -2.711 3.303 1.00 0.00 H new ATOM 0 HA ASP A 83 18.166 -1.543 3.954 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.415 -2.462 1.203 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.986 -2.441 1.977 1.00 0.00 H new ATOM 1289 N GLU A 84 18.327 0.491 2.243 1.00 0.00 N ATOM 1290 CA GLU A 84 18.359 1.778 1.568 1.00 0.00 C ATOM 1291 C GLU A 84 17.759 1.651 0.165 1.00 0.00 C ATOM 1292 O GLU A 84 16.784 2.338 -0.143 1.00 0.00 O ATOM 1293 CB GLU A 84 19.816 2.284 1.579 1.00 0.00 C ATOM 1294 CG GLU A 84 19.934 3.804 1.729 1.00 0.00 C ATOM 1295 CD GLU A 84 19.844 4.591 0.415 1.00 0.00 C ATOM 1296 OE1 GLU A 84 20.723 4.398 -0.462 1.00 0.00 O ATOM 1297 OE2 GLU A 84 18.939 5.446 0.281 1.00 0.00 O ATOM 0 H GLU A 84 19.255 0.174 2.524 1.00 0.00 H new ATOM 0 HA GLU A 84 17.746 2.518 2.082 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.353 1.803 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.305 1.979 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.147 4.151 2.398 1.00 0.00 H new ATOM 0 HG3 GLU A 84 20.885 4.034 2.209 1.00 0.00 H new ATOM 1304 N THR A 85 18.283 0.727 -0.652 1.00 0.00 N ATOM 1305 CA THR A 85 17.798 0.489 -2.009 1.00 0.00 C ATOM 1306 C THR A 85 16.334 0.082 -1.960 1.00 0.00 C ATOM 1307 O THR A 85 15.542 0.590 -2.739 1.00 0.00 O ATOM 1308 CB THR A 85 18.640 -0.593 -2.707 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.020 -0.328 -2.494 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.338 -0.703 -4.213 1.00 0.00 C ATOM 0 H THR A 85 19.060 0.123 -0.384 1.00 0.00 H new ATOM 0 HA THR A 85 17.893 1.408 -2.587 1.00 0.00 H new ATOM 0 HB THR A 85 18.373 -1.554 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.558 -1.017 -2.937 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.961 -1.482 -4.653 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.287 -0.955 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.552 0.250 -4.698 1.00 0.00 H new ATOM 1318 N MET A 86 15.954 -0.796 -1.032 1.00 0.00 N ATOM 1319 CA MET A 86 14.593 -1.261 -0.865 1.00 0.00 C ATOM 1320 C MET A 86 13.660 -0.083 -0.636 1.00 0.00 C ATOM 1321 O MET A 86 12.622 0.026 -1.282 1.00 0.00 O ATOM 1322 CB MET A 86 14.565 -2.270 0.300 1.00 0.00 C ATOM 1323 CG MET A 86 13.252 -2.304 1.079 1.00 0.00 C ATOM 1324 SD MET A 86 13.167 -3.606 2.334 1.00 0.00 S ATOM 1325 CE MET A 86 11.447 -3.384 2.846 1.00 0.00 C ATOM 0 H MET A 86 16.605 -1.208 -0.364 1.00 0.00 H new ATOM 0 HA MET A 86 14.242 -1.764 -1.766 1.00 0.00 H new ATOM 0 HB2 MET A 86 14.764 -3.266 -0.095 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.375 -2.032 0.989 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.105 -1.338 1.563 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.429 -2.438 0.377 1.00 0.00 H new ATOM 0 HE1 MET A 86 11.094 -4.290 3.339 1.00 0.00 H new ATOM 0 HE2 MET A 86 11.379 -2.545 3.538 1.00 0.00 H new ATOM 0 HE3 MET A 86 10.830 -3.183 1.970 1.00 0.00 H new ATOM 1335 N ALA A 87 13.985 0.773 0.326 1.00 0.00 N ATOM 1336 CA ALA A 87 13.123 1.881 0.671 1.00 0.00 C ATOM 1337 C ALA A 87 13.020 2.849 -0.500 1.00 0.00 C ATOM 1338 O ALA A 87 11.923 3.334 -0.773 1.00 0.00 O ATOM 1339 CB ALA A 87 13.632 2.498 1.962 1.00 0.00 C ATOM 0 H ALA A 87 14.841 0.715 0.877 1.00 0.00 H new ATOM 0 HA ALA A 87 12.100 1.555 0.858 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.994 3.337 2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.614 1.750 2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.654 2.850 1.819 1.00 0.00 H new ATOM 1345 N GLN A 88 14.119 3.107 -1.211 1.00 0.00 N ATOM 1346 CA GLN A 88 14.053 3.950 -2.387 1.00 0.00 C ATOM 1347 C GLN A 88 13.272 3.271 -3.513 1.00 0.00 C ATOM 1348 O GLN A 88 12.559 3.972 -4.225 1.00 0.00 O ATOM 1349 CB GLN A 88 15.464 4.374 -2.816 1.00 0.00 C ATOM 1350 CG GLN A 88 15.424 5.523 -3.835 1.00 0.00 C ATOM 1351 CD GLN A 88 14.699 6.762 -3.306 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.191 7.473 -2.433 1.00 0.00 O ATOM 1353 NE2 GLN A 88 13.502 7.037 -3.790 1.00 0.00 N ATOM 0 H GLN A 88 15.048 2.747 -0.991 1.00 0.00 H new ATOM 0 HA GLN A 88 13.503 4.858 -2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.034 4.684 -1.940 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.985 3.520 -3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.443 5.794 -4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 88 14.930 5.179 -4.744 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.097 6.445 -4.515 1.00 0.00 H new ATOM 0 HE22 GLN A 88 12.983 7.842 -3.439 1.00 0.00 H new ATOM 1362 N GLN A 89 13.337 1.942 -3.649 1.00 0.00 N ATOM 1363 CA GLN A 89 12.586 1.166 -4.612 1.00 0.00 C ATOM 1364 C GLN A 89 11.095 1.356 -4.388 1.00 0.00 C ATOM 1365 O GLN A 89 10.405 1.726 -5.330 1.00 0.00 O ATOM 1366 CB GLN A 89 12.951 -0.321 -4.512 1.00 0.00 C ATOM 1367 CG GLN A 89 14.181 -0.718 -5.322 1.00 0.00 C ATOM 1368 CD GLN A 89 13.873 -1.886 -6.240 1.00 0.00 C ATOM 1369 OE1 GLN A 89 13.395 -2.920 -5.782 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.176 -1.766 -7.514 1.00 0.00 N ATOM 0 H GLN A 89 13.941 1.366 -3.063 1.00 0.00 H new ATOM 0 HA GLN A 89 12.841 1.516 -5.612 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.122 -0.572 -3.465 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.101 -0.916 -4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 89 14.523 0.133 -5.912 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.994 -0.985 -4.647 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.572 -0.894 -7.864 1.00 0.00 H new ATOM 0 HE22 GLN A 89 14.015 -2.545 -8.152 1.00 0.00 H new ATOM 1379 N LEU A 90 10.588 1.135 -3.169 1.00 0.00 N ATOM 1380 CA LEU A 90 9.199 1.358 -2.840 1.00 0.00 C ATOM 1381 C LEU A 90 8.735 2.715 -3.320 1.00 0.00 C ATOM 1382 O LEU A 90 7.709 2.780 -3.992 1.00 0.00 O ATOM 1383 CB LEU A 90 9.015 1.173 -1.331 1.00 0.00 C ATOM 1384 CG LEU A 90 9.088 -0.284 -0.827 1.00 0.00 C ATOM 1385 CD1 LEU A 90 9.382 -1.385 -1.829 1.00 0.00 C ATOM 1386 CD2 LEU A 90 9.916 -0.451 0.455 1.00 0.00 C ATOM 0 H LEU A 90 11.145 0.794 -2.386 1.00 0.00 H new ATOM 0 HA LEU A 90 8.573 0.630 -3.356 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.778 1.756 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.049 1.590 -1.047 1.00 0.00 H new ATOM 0 HG LEU A 90 8.037 -0.452 -0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.399 -2.347 -1.317 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.607 -1.396 -2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.351 -1.204 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 90 9.923 -1.500 0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 90 10.938 -0.118 0.274 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.476 0.147 1.253 1.00 0.00 H new ATOM 1398 N ILE A 91 9.469 3.781 -3.016 1.00 0.00 N ATOM 1399 CA ILE A 91 9.040 5.092 -3.449 1.00 0.00 C ATOM 1400 C ILE A 91 9.269 5.269 -4.955 1.00 0.00 C ATOM 1401 O ILE A 91 8.442 5.913 -5.570 1.00 0.00 O ATOM 1402 CB ILE A 91 9.610 6.194 -2.531 1.00 0.00 C ATOM 1403 CG1 ILE A 91 8.873 6.172 -1.167 1.00 0.00 C ATOM 1404 CG2 ILE A 91 9.392 7.582 -3.146 1.00 0.00 C ATOM 1405 CD1 ILE A 91 9.482 5.214 -0.136 1.00 0.00 C ATOM 0 H ILE A 91 10.340 3.759 -2.485 1.00 0.00 H new ATOM 0 HA ILE A 91 7.961 5.194 -3.333 1.00 0.00 H new ATOM 0 HB ILE A 91 10.676 6.003 -2.406 1.00 0.00 H new ATOM 0 HG12 ILE A 91 8.871 7.180 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.832 5.894 -1.334 1.00 0.00 H new ATOM 0 HG21 ILE A 91 9.802 8.343 -2.482 1.00 0.00 H new ATOM 0 HG22 ILE A 91 9.894 7.635 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.325 7.756 -3.282 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.906 5.261 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.459 4.197 -0.527 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.514 5.503 0.064 1.00 0.00 H new ATOM 1417 N ASP A 92 10.293 4.712 -5.601 1.00 0.00 N ATOM 1418 CA ASP A 92 10.495 4.843 -7.053 1.00 0.00 C ATOM 1419 C ASP A 92 9.370 4.188 -7.854 1.00 0.00 C ATOM 1420 O ASP A 92 8.892 4.738 -8.852 1.00 0.00 O ATOM 1421 CB ASP A 92 11.840 4.233 -7.466 1.00 0.00 C ATOM 1422 CG ASP A 92 12.143 4.599 -8.915 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.505 5.770 -9.154 1.00 0.00 O ATOM 1424 OD2 ASP A 92 12.010 3.734 -9.816 1.00 0.00 O ATOM 0 H ASP A 92 11.010 4.155 -5.136 1.00 0.00 H new ATOM 0 HA ASP A 92 10.491 5.910 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.633 4.600 -6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.810 3.149 -7.353 1.00 0.00 H new ATOM 1429 N ILE A 93 8.929 3.019 -7.398 1.00 0.00 N ATOM 1430 CA ILE A 93 7.894 2.234 -8.039 1.00 0.00 C ATOM 1431 C ILE A 93 6.540 2.906 -7.768 1.00 0.00 C ATOM 1432 O ILE A 93 5.767 3.096 -8.713 1.00 0.00 O ATOM 1433 CB ILE A 93 7.993 0.765 -7.567 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.379 0.137 -7.886 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.915 -0.076 -8.268 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.740 -1.069 -7.006 1.00 0.00 C ATOM 0 H ILE A 93 9.295 2.586 -6.550 1.00 0.00 H new ATOM 0 HA ILE A 93 8.015 2.200 -9.122 1.00 0.00 H new ATOM 0 HB ILE A 93 7.852 0.766 -6.486 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.394 -0.172 -8.931 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.147 0.901 -7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.987 -1.111 -7.934 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.929 0.318 -8.021 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.064 -0.032 -9.347 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.721 -1.448 -7.293 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.760 -0.763 -5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.995 -1.853 -7.140 1.00 0.00 H new ATOM 1448 N VAL A 94 6.252 3.280 -6.512 1.00 0.00 N ATOM 1449 CA VAL A 94 5.021 3.974 -6.138 1.00 0.00 C ATOM 1450 C VAL A 94 4.941 5.313 -6.870 1.00 0.00 C ATOM 1451 O VAL A 94 3.975 5.547 -7.598 1.00 0.00 O ATOM 1452 CB VAL A 94 4.894 4.103 -4.597 1.00 0.00 C ATOM 1453 CG1 VAL A 94 3.708 4.995 -4.209 1.00 0.00 C ATOM 1454 CG2 VAL A 94 4.598 2.718 -4.000 1.00 0.00 C ATOM 0 H VAL A 94 6.876 3.105 -5.724 1.00 0.00 H new ATOM 0 HA VAL A 94 4.160 3.384 -6.452 1.00 0.00 H new ATOM 0 HB VAL A 94 5.827 4.528 -4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 94 3.646 5.066 -3.123 1.00 0.00 H new ATOM 0 HG12 VAL A 94 3.849 5.991 -4.630 1.00 0.00 H new ATOM 0 HG13 VAL A 94 2.786 4.564 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 94 4.507 2.800 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 94 3.665 2.335 -4.414 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.411 2.035 -4.245 1.00 0.00 H new ATOM 1464 N HIS A 95 5.955 6.165 -6.716 1.00 0.00 N ATOM 1465 CA HIS A 95 5.979 7.512 -7.262 1.00 0.00 C ATOM 1466 C HIS A 95 5.843 7.483 -8.786 1.00 0.00 C ATOM 1467 O HIS A 95 5.317 8.429 -9.370 1.00 0.00 O ATOM 1468 CB HIS A 95 7.290 8.210 -6.881 1.00 0.00 C ATOM 1469 CG HIS A 95 7.418 9.633 -7.342 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.179 10.054 -8.405 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.886 10.743 -6.745 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.171 11.391 -8.412 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.371 11.858 -7.438 1.00 0.00 N ATOM 0 H HIS A 95 6.799 5.927 -6.195 1.00 0.00 H new ATOM 0 HA HIS A 95 5.137 8.063 -6.844 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.393 8.186 -5.796 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.121 7.636 -7.292 1.00 0.00 H new ATOM 0 HD2 HIS A 95 6.217 10.756 -5.897 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.728 12.008 -9.102 1.00 0.00 H new ATOM 0 HE2 HIS A 95 7.158 12.836 -7.242 1.00 0.00 H new ATOM 1481 N GLY A 96 6.329 6.417 -9.429 1.00 0.00 N ATOM 1482 CA GLY A 96 6.123 6.156 -10.838 1.00 0.00 C ATOM 1483 C GLY A 96 4.649 5.887 -11.108 1.00 0.00 C ATOM 1484 O GLY A 96 3.990 6.695 -11.770 1.00 0.00 O ATOM 0 H GLY A 96 6.888 5.701 -8.965 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.459 7.009 -11.427 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.720 5.299 -11.149 1.00 0.00 H new ATOM 1488 N CYS A 97 4.124 4.773 -10.577 1.00 0.00 N ATOM 1489 CA CYS A 97 2.723 4.361 -10.684 1.00 0.00 C ATOM 1490 C CYS A 97 1.770 5.523 -10.412 1.00 0.00 C ATOM 1491 O CYS A 97 0.790 5.601 -11.133 1.00 0.00 O ATOM 1492 CB CYS A 97 2.446 3.179 -9.747 1.00 0.00 C ATOM 1493 SG CYS A 97 2.826 1.519 -10.391 1.00 0.00 S ATOM 0 H CYS A 97 4.687 4.112 -10.042 1.00 0.00 H new ATOM 0 HA CYS A 97 2.542 4.038 -11.709 1.00 0.00 H new ATOM 0 HB2 CYS A 97 3.019 3.328 -8.832 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.392 3.204 -9.470 1.00 0.00 H new ATOM 1498 N GLU A 98 2.032 6.463 -9.504 1.00 0.00 N ATOM 1499 CA GLU A 98 1.149 7.611 -9.258 1.00 0.00 C ATOM 1500 C GLU A 98 0.686 8.354 -10.533 1.00 0.00 C ATOM 1501 O GLU A 98 -0.429 8.883 -10.559 1.00 0.00 O ATOM 1502 CB GLU A 98 1.795 8.572 -8.245 1.00 0.00 C ATOM 1503 CG GLU A 98 1.611 8.066 -6.804 1.00 0.00 C ATOM 1504 CD GLU A 98 1.974 9.091 -5.722 1.00 0.00 C ATOM 1505 OE1 GLU A 98 1.853 10.318 -5.936 1.00 0.00 O ATOM 1506 OE2 GLU A 98 2.329 8.654 -4.607 1.00 0.00 O ATOM 0 H GLU A 98 2.864 6.453 -8.915 1.00 0.00 H new ATOM 0 HA GLU A 98 0.233 7.200 -8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.858 8.675 -8.464 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.351 9.562 -8.345 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.573 7.764 -6.668 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.223 7.175 -6.664 1.00 0.00 H new ATOM 1513 N LYS A 99 1.468 8.338 -11.617 1.00 0.00 N ATOM 1514 CA LYS A 99 1.124 8.935 -12.904 1.00 0.00 C ATOM 1515 C LYS A 99 1.272 7.969 -14.066 1.00 0.00 C ATOM 1516 O LYS A 99 0.514 8.051 -15.029 1.00 0.00 O ATOM 1517 CB LYS A 99 1.917 10.226 -13.133 1.00 0.00 C ATOM 1518 CG LYS A 99 3.420 10.277 -12.789 1.00 0.00 C ATOM 1519 CD LYS A 99 3.665 10.559 -11.299 1.00 0.00 C ATOM 1520 CE LYS A 99 5.052 11.140 -11.014 1.00 0.00 C ATOM 1521 NZ LYS A 99 5.279 11.240 -9.557 1.00 0.00 N ATOM 0 H LYS A 99 2.386 7.894 -11.619 1.00 0.00 H new ATOM 0 HA LYS A 99 0.064 9.187 -12.863 1.00 0.00 H new ATOM 0 HB2 LYS A 99 1.816 10.486 -14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.426 11.014 -12.562 1.00 0.00 H new ATOM 0 HG2 LYS A 99 3.885 9.329 -13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.902 11.050 -13.387 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.906 11.254 -10.938 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.543 9.633 -10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 99 5.817 10.509 -11.465 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.141 12.126 -11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.888 12.059 -9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.367 11.359 -9.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.742 10.373 -9.217 1.00 0.00 H new ATOM 1535 N SER A 100 2.199 7.022 -13.982 1.00 0.00 N ATOM 1536 CA SER A 100 2.293 5.884 -14.876 1.00 0.00 C ATOM 1537 C SER A 100 0.950 5.151 -14.963 1.00 0.00 C ATOM 1538 O SER A 100 0.486 4.862 -16.063 1.00 0.00 O ATOM 1539 CB SER A 100 3.428 5.015 -14.355 1.00 0.00 C ATOM 1540 OG SER A 100 4.663 5.672 -14.602 1.00 0.00 O ATOM 0 H SER A 100 2.926 7.029 -13.267 1.00 0.00 H new ATOM 0 HA SER A 100 2.515 6.185 -15.900 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.304 4.834 -13.287 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.414 4.042 -14.847 1.00 0.00 H new ATOM 0 HG SER A 100 4.894 6.235 -13.834 1.00 0.00 H new ATOM 1546 N THR A 101 0.275 4.929 -13.836 1.00 0.00 N ATOM 1547 CA THR A 101 -1.062 4.365 -13.806 1.00 0.00 C ATOM 1548 C THR A 101 -2.092 5.427 -14.207 1.00 0.00 C ATOM 1549 O THR A 101 -2.153 6.482 -13.568 1.00 0.00 O ATOM 1550 CB THR A 101 -1.331 3.861 -12.390 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.497 2.755 -12.154 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.763 3.412 -12.158 1.00 0.00 C ATOM 0 H THR A 101 0.650 5.140 -12.911 1.00 0.00 H new ATOM 0 HA THR A 101 -1.142 3.540 -14.514 1.00 0.00 H new ATOM 0 HB THR A 101 -1.139 4.696 -11.717 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.421 2.603 -11.189 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.874 3.068 -11.130 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.440 4.248 -12.337 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.004 2.598 -12.841 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.923 5.169 -15.227 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.106 5.960 -15.517 1.00 0.00 C ATOM 1562 C PRO A 102 -5.230 5.588 -14.552 1.00 0.00 C ATOM 1563 O PRO A 102 -5.457 4.408 -14.253 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.456 5.598 -16.961 1.00 0.00 C ATOM 1565 CG PRO A 102 -4.021 4.137 -17.081 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.843 4.028 -16.127 1.00 0.00 C ATOM 0 HA PRO A 102 -3.949 7.032 -15.399 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.522 5.716 -17.157 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.929 6.233 -17.673 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.825 3.456 -16.802 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.733 3.888 -18.102 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.883 3.092 -15.569 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.901 4.033 -16.675 1.00 0.00 H new ATOM 1574 N ALA A 103 -5.982 6.589 -14.112 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.197 6.445 -13.332 1.00 0.00 C ATOM 1576 C ALA A 103 -8.091 7.662 -13.567 1.00 0.00 C ATOM 1577 O ALA A 103 -7.630 8.692 -14.065 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.837 6.332 -11.845 1.00 0.00 C ATOM 0 H ALA A 103 -5.749 7.564 -14.299 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.731 5.545 -13.636 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.749 6.224 -11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.200 5.461 -11.690 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.307 7.231 -11.530 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.352 7.567 -13.141 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.184 8.743 -12.881 1.00 0.00 C ATOM 1586 C ASN A 104 -9.682 9.452 -11.627 1.00 0.00 C ATOM 1587 O ASN A 104 -8.910 8.880 -10.858 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.694 8.453 -12.755 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.037 6.992 -12.654 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.562 6.372 -13.569 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -11.666 6.377 -11.556 1.00 0.00 N ATOM 0 H ASN A 104 -9.823 6.679 -12.968 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.086 9.380 -13.760 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.078 8.966 -11.874 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.207 8.876 -13.619 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -11.814 5.373 -11.459 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.229 6.903 -10.799 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.196 10.655 -11.372 1.00 0.00 N ATOM 1599 CA ASP A 105 -9.817 11.495 -10.232 1.00 0.00 C ATOM 1600 C ASP A 105 -10.217 10.907 -8.878 1.00 0.00 C ATOM 1601 O ASP A 105 -9.848 11.434 -7.827 1.00 0.00 O ATOM 1602 CB ASP A 105 -10.428 12.876 -10.380 1.00 0.00 C ATOM 1603 CG ASP A 105 -9.680 13.980 -9.611 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -8.570 13.744 -9.062 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -10.159 15.132 -9.605 1.00 0.00 O ATOM 0 H ASP A 105 -10.905 11.085 -11.966 1.00 0.00 H new ATOM 0 HA ASP A 105 -8.728 11.551 -10.244 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -10.454 13.139 -11.438 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.461 12.843 -10.034 1.00 0.00 H new ATOM 1610 N ASP A 106 -10.969 9.800 -8.892 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.290 9.049 -7.687 1.00 0.00 C ATOM 1612 C ASP A 106 -9.982 8.506 -7.107 1.00 0.00 C ATOM 1613 O ASP A 106 -9.499 7.442 -7.483 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.323 7.930 -7.956 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.616 8.023 -7.135 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -13.879 9.040 -6.454 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.399 7.049 -7.142 1.00 0.00 O ATOM 0 H ASP A 106 -11.369 9.405 -9.743 1.00 0.00 H new ATOM 0 HA ASP A 106 -11.766 9.706 -6.959 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.582 7.944 -9.015 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.853 6.967 -7.755 1.00 0.00 H new ATOM 1622 N LYS A 107 -9.376 9.239 -6.180 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.264 8.863 -5.349 1.00 0.00 C ATOM 1624 C LYS A 107 -8.392 7.463 -4.748 1.00 0.00 C ATOM 1625 O LYS A 107 -7.359 6.802 -4.641 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.145 9.958 -4.288 1.00 0.00 C ATOM 1627 CG LYS A 107 -6.937 10.851 -4.519 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.954 11.810 -5.709 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.691 11.188 -7.079 1.00 0.00 C ATOM 1630 NZ LYS A 107 -6.540 12.239 -8.100 1.00 0.00 N ATOM 0 H LYS A 107 -9.685 10.191 -5.983 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.354 8.791 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.050 10.565 -4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -8.073 9.500 -3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -6.787 11.445 -3.617 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.064 10.207 -4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -7.925 12.304 -5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.207 12.585 -5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.789 10.577 -7.041 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.514 10.526 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -6.229 11.811 -8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -7.452 12.717 -8.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.832 12.932 -7.783 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.599 6.971 -4.431 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.770 5.579 -4.019 1.00 0.00 C ATOM 1646 C CYS A 108 -9.319 4.661 -5.161 1.00 0.00 C ATOM 1647 O CYS A 108 -8.489 3.779 -4.952 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.225 5.235 -3.664 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.120 6.181 -2.403 1.00 0.00 S ATOM 0 H CYS A 108 -10.462 7.515 -4.453 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.167 5.433 -3.123 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.804 5.301 -4.585 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.240 4.191 -3.352 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.876 4.865 -6.362 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.646 4.043 -7.547 1.00 0.00 C ATOM 1656 C ILE A 109 -8.165 4.099 -7.915 1.00 0.00 C ATOM 1657 O ILE A 109 -7.519 3.072 -8.100 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.531 4.523 -8.709 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -12.010 4.238 -8.402 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -10.096 3.937 -10.066 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.478 2.808 -8.677 1.00 0.00 C ATOM 0 H ILE A 109 -10.521 5.635 -6.536 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.915 3.008 -7.337 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.403 5.602 -8.801 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -12.195 4.466 -7.352 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.623 4.921 -8.990 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.755 4.309 -10.851 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.070 4.238 -10.280 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.155 2.849 -10.028 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.535 2.717 -8.426 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.334 2.574 -9.732 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.899 2.113 -8.069 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.636 5.312 -8.024 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.258 5.614 -8.298 1.00 0.00 C ATOM 1675 C TRP A 110 -5.329 4.855 -7.358 1.00 0.00 C ATOM 1676 O TRP A 110 -4.513 4.068 -7.832 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.113 7.122 -8.156 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.725 7.608 -8.281 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.952 7.463 -9.375 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.917 8.277 -7.276 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.726 8.042 -9.131 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.662 8.589 -7.868 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.118 8.659 -5.932 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.673 9.302 -7.185 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.105 9.335 -5.221 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -1.887 9.658 -5.848 1.00 0.00 C ATOM 0 H TRP A 110 -8.202 6.154 -7.915 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.975 5.299 -9.302 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.727 7.608 -8.914 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.507 7.424 -7.186 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.245 6.974 -10.292 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.959 8.063 -9.803 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.055 8.432 -5.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.754 9.575 -7.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.265 9.607 -4.188 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.118 10.180 -5.298 1.00 0.00 H new ATOM 1697 N THR A 111 -5.477 5.036 -6.043 1.00 0.00 N ATOM 1698 CA THR A 111 -4.578 4.421 -5.076 1.00 0.00 C ATOM 1699 C THR A 111 -4.668 2.884 -5.136 1.00 0.00 C ATOM 1700 O THR A 111 -3.638 2.224 -4.983 1.00 0.00 O ATOM 1701 CB THR A 111 -4.853 4.996 -3.676 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.848 6.405 -3.704 1.00 0.00 O ATOM 1703 CG2 THR A 111 -3.795 4.546 -2.662 1.00 0.00 C ATOM 0 H THR A 111 -6.214 5.606 -5.628 1.00 0.00 H new ATOM 0 HA THR A 111 -3.545 4.665 -5.326 1.00 0.00 H new ATOM 0 HB THR A 111 -5.832 4.623 -3.375 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.707 6.728 -4.047 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.023 4.972 -1.685 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.797 3.458 -2.593 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.812 4.887 -2.986 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.846 2.316 -5.444 1.00 0.00 N ATOM 1712 CA LEU A 112 -6.040 0.904 -5.804 1.00 0.00 C ATOM 1713 C LEU A 112 -5.136 0.549 -6.991 1.00 0.00 C ATOM 1714 O LEU A 112 -4.303 -0.346 -6.880 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.555 0.620 -6.028 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.986 -0.308 -7.171 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -7.772 -1.768 -6.794 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -9.470 -0.138 -7.516 1.00 0.00 C ATOM 0 H LEU A 112 -6.717 2.846 -5.449 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.737 0.244 -4.991 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.950 0.203 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.048 1.580 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.374 -0.036 -8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.085 -2.407 -7.620 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.716 -1.938 -6.583 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.362 -2.005 -5.908 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.734 -0.813 -8.330 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.076 -0.371 -6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.657 0.891 -7.823 1.00 0.00 H new ATOM 1730 N GLY A 113 -5.247 1.270 -8.107 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.508 0.971 -9.326 1.00 0.00 C ATOM 1732 C GLY A 113 -2.995 1.068 -9.124 1.00 0.00 C ATOM 1733 O GLY A 113 -2.260 0.226 -9.651 1.00 0.00 O ATOM 0 H GLY A 113 -5.858 2.083 -8.187 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.764 -0.032 -9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.813 1.662 -10.112 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.539 2.079 -8.377 1.00 0.00 N ATOM 1738 CA VAL A 114 -1.143 2.280 -7.995 1.00 0.00 C ATOM 1739 C VAL A 114 -0.671 1.060 -7.197 1.00 0.00 C ATOM 1740 O VAL A 114 0.378 0.486 -7.489 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.999 3.611 -7.213 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.394 3.827 -6.599 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.282 4.820 -8.121 1.00 0.00 C ATOM 0 H VAL A 114 -3.156 2.804 -8.010 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.505 2.367 -8.874 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.728 3.532 -6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.414 4.779 -6.069 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.613 3.019 -5.901 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.143 3.836 -7.391 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.174 5.740 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.575 4.825 -8.951 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.298 4.753 -8.510 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.456 0.615 -6.215 1.00 0.00 N ATOM 1754 CA ALA A 115 -1.090 -0.526 -5.396 1.00 0.00 C ATOM 1755 C ALA A 115 -1.002 -1.799 -6.236 1.00 0.00 C ATOM 1756 O ALA A 115 -0.067 -2.575 -6.056 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.109 -0.697 -4.271 1.00 0.00 C ATOM 0 H ALA A 115 -2.353 1.035 -5.972 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.106 -0.344 -4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.833 -1.554 -3.657 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.124 0.201 -3.654 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.098 -0.860 -4.698 1.00 0.00 H new ATOM 1763 N THR A 116 -1.926 -2.021 -7.173 1.00 0.00 N ATOM 1764 CA THR A 116 -1.933 -3.231 -7.975 1.00 0.00 C ATOM 1765 C THR A 116 -0.765 -3.272 -8.981 1.00 0.00 C ATOM 1766 O THR A 116 -0.217 -4.356 -9.195 1.00 0.00 O ATOM 1767 CB THR A 116 -3.318 -3.393 -8.623 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.343 -3.229 -7.658 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.502 -4.770 -9.262 1.00 0.00 C ATOM 0 H THR A 116 -2.680 -1.370 -7.391 1.00 0.00 H new ATOM 0 HA THR A 116 -1.762 -4.095 -7.333 1.00 0.00 H new ATOM 0 HB THR A 116 -3.383 -2.626 -9.395 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.425 -2.281 -7.425 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.495 -4.835 -9.706 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.748 -4.916 -10.036 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.394 -5.542 -8.500 1.00 0.00 H new ATOM 1777 N CYS A 117 -0.331 -2.147 -9.583 1.00 0.00 N ATOM 1778 CA CYS A 117 0.855 -2.194 -10.456 1.00 0.00 C ATOM 1779 C CYS A 117 2.089 -2.495 -9.612 1.00 0.00 C ATOM 1780 O CYS A 117 2.893 -3.348 -9.992 1.00 0.00 O ATOM 1781 CB CYS A 117 1.056 -0.921 -11.298 1.00 0.00 C ATOM 1782 SG CYS A 117 0.975 0.653 -10.416 1.00 0.00 S ATOM 0 H CYS A 117 -0.765 -1.229 -9.487 1.00 0.00 H new ATOM 0 HA CYS A 117 0.692 -2.993 -11.179 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.027 -0.987 -11.789 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.301 -0.910 -12.085 1.00 0.00 H new ATOM 1787 N PHE A 118 2.199 -1.831 -8.460 1.00 0.00 N ATOM 1788 CA PHE A 118 3.253 -2.029 -7.482 1.00 0.00 C ATOM 1789 C PHE A 118 3.310 -3.479 -7.000 1.00 0.00 C ATOM 1790 O PHE A 118 4.395 -4.050 -7.026 1.00 0.00 O ATOM 1791 CB PHE A 118 3.045 -1.007 -6.364 1.00 0.00 C ATOM 1792 CG PHE A 118 3.891 -1.167 -5.120 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.229 -0.745 -5.132 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.332 -1.679 -3.931 1.00 0.00 C ATOM 1795 CE1 PHE A 118 6.013 -0.843 -3.977 1.00 0.00 C ATOM 1796 CE2 PHE A 118 4.121 -1.777 -2.770 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.467 -1.370 -2.797 1.00 0.00 C ATOM 0 H PHE A 118 1.528 -1.116 -8.179 1.00 0.00 H new ATOM 0 HA PHE A 118 4.234 -1.858 -7.925 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.230 -0.014 -6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 118 1.997 -1.039 -6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.657 -0.342 -6.038 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.300 -1.996 -3.911 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.041 -0.512 -3.994 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.693 -2.165 -1.858 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.079 -1.463 -1.912 1.00 0.00 H new ATOM 1807 N LYS A 119 2.173 -4.107 -6.650 1.00 0.00 N ATOM 1808 CA LYS A 119 2.074 -5.508 -6.211 1.00 0.00 C ATOM 1809 C LYS A 119 2.973 -6.382 -7.071 1.00 0.00 C ATOM 1810 O LYS A 119 3.869 -7.035 -6.548 1.00 0.00 O ATOM 1811 CB LYS A 119 0.611 -6.011 -6.269 1.00 0.00 C ATOM 1812 CG LYS A 119 0.449 -7.462 -5.761 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.835 -8.162 -6.253 1.00 0.00 C ATOM 1814 CE LYS A 119 -0.487 -9.228 -7.308 1.00 0.00 C ATOM 1815 NZ LYS A 119 -1.671 -9.830 -7.964 1.00 0.00 N ATOM 0 H LYS A 119 1.268 -3.636 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 119 2.404 -5.568 -5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -0.018 -5.351 -5.672 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.252 -5.950 -7.296 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.313 -8.046 -6.079 1.00 0.00 H new ATOM 0 HG3 LYS A 119 0.452 -7.456 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -1.350 -8.626 -5.412 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.518 -7.427 -6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.149 -8.777 -8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.095 -10.018 -6.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.443 -10.797 -8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.464 -9.859 -7.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.939 -9.258 -8.790 1.00 0.00 H new ATOM 1829 N ALA A 120 2.728 -6.387 -8.381 1.00 0.00 N ATOM 1830 CA ALA A 120 3.389 -7.277 -9.319 1.00 0.00 C ATOM 1831 C ALA A 120 4.916 -7.201 -9.207 1.00 0.00 C ATOM 1832 O ALA A 120 5.571 -8.236 -9.253 1.00 0.00 O ATOM 1833 CB ALA A 120 2.919 -6.920 -10.726 1.00 0.00 C ATOM 0 H ALA A 120 2.054 -5.761 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 120 3.121 -8.307 -9.085 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.403 -7.577 -11.449 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.838 -7.043 -10.791 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.180 -5.885 -10.945 1.00 0.00 H new ATOM 1839 N GLU A 121 5.486 -6.011 -9.033 1.00 0.00 N ATOM 1840 CA GLU A 121 6.917 -5.758 -8.872 1.00 0.00 C ATOM 1841 C GLU A 121 7.469 -6.503 -7.664 1.00 0.00 C ATOM 1842 O GLU A 121 8.517 -7.131 -7.747 1.00 0.00 O ATOM 1843 CB GLU A 121 7.177 -4.249 -8.716 1.00 0.00 C ATOM 1844 CG GLU A 121 6.517 -3.434 -9.835 1.00 0.00 C ATOM 1845 CD GLU A 121 7.065 -3.836 -11.211 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.299 -3.927 -11.408 1.00 0.00 O ATOM 1847 OE2 GLU A 121 6.233 -4.157 -12.090 1.00 0.00 O ATOM 0 H GLU A 121 4.935 -5.153 -8.999 1.00 0.00 H new ATOM 0 HA GLU A 121 7.426 -6.120 -9.765 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.797 -3.914 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.251 -4.064 -8.718 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.438 -3.586 -9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.693 -2.371 -9.667 1.00 0.00 H new ATOM 1854 N ILE A 122 6.743 -6.488 -6.550 1.00 0.00 N ATOM 1855 CA ILE A 122 7.149 -7.160 -5.317 1.00 0.00 C ATOM 1856 C ILE A 122 7.260 -8.673 -5.570 1.00 0.00 C ATOM 1857 O ILE A 122 8.224 -9.303 -5.129 1.00 0.00 O ATOM 1858 CB ILE A 122 6.175 -6.790 -4.173 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.850 -5.281 -4.116 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.686 -7.217 -2.793 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.081 -4.361 -4.078 1.00 0.00 C ATOM 0 H ILE A 122 5.848 -6.005 -6.476 1.00 0.00 H new ATOM 0 HA ILE A 122 8.136 -6.823 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 122 5.267 -7.344 -4.412 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.245 -5.020 -4.984 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.241 -5.087 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.960 -6.931 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.824 -8.298 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.638 -6.726 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.757 -3.321 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.678 -4.588 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.682 -4.520 -4.973 1.00 0.00 H new ATOM 1873 N HIS A 123 6.324 -9.249 -6.333 1.00 0.00 N ATOM 1874 CA HIS A 123 6.425 -10.637 -6.792 1.00 0.00 C ATOM 1875 C HIS A 123 7.667 -10.831 -7.686 1.00 0.00 C ATOM 1876 O HIS A 123 8.393 -11.812 -7.508 1.00 0.00 O ATOM 1877 CB HIS A 123 5.157 -11.105 -7.532 1.00 0.00 C ATOM 1878 CG HIS A 123 3.863 -11.139 -6.748 1.00 0.00 C ATOM 1879 ND1 HIS A 123 2.975 -12.191 -6.714 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.306 -10.129 -6.017 1.00 0.00 C ATOM 1881 CE1 HIS A 123 1.914 -11.826 -5.981 1.00 0.00 C ATOM 1882 NE2 HIS A 123 2.056 -10.561 -5.565 1.00 0.00 N ATOM 0 H HIS A 123 5.481 -8.769 -6.647 1.00 0.00 H new ATOM 0 HA HIS A 123 6.528 -11.255 -5.900 1.00 0.00 H new ATOM 0 HB2 HIS A 123 5.011 -10.454 -8.394 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.343 -12.107 -7.918 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.753 -9.165 -5.822 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.068 -12.459 -5.758 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.383 -10.018 -5.024 1.00 0.00 H new ATOM 1890 N LYS A 124 7.973 -9.910 -8.616 1.00 0.00 N ATOM 1891 CA LYS A 124 9.182 -9.990 -9.460 1.00 0.00 C ATOM 1892 C LYS A 124 10.445 -9.974 -8.608 1.00 0.00 C ATOM 1893 O LYS A 124 11.413 -10.660 -8.928 1.00 0.00 O ATOM 1894 CB LYS A 124 9.279 -8.829 -10.469 1.00 0.00 C ATOM 1895 CG LYS A 124 8.110 -8.800 -11.453 1.00 0.00 C ATOM 1896 CD LYS A 124 8.193 -7.594 -12.397 1.00 0.00 C ATOM 1897 CE LYS A 124 6.942 -7.424 -13.270 1.00 0.00 C ATOM 1898 NZ LYS A 124 6.410 -8.715 -13.760 1.00 0.00 N ATOM 0 H LYS A 124 7.394 -9.092 -8.805 1.00 0.00 H new ATOM 0 HA LYS A 124 9.098 -10.929 -10.007 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.315 -7.884 -9.926 1.00 0.00 H new ATOM 0 HB3 LYS A 124 10.213 -8.913 -11.024 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.103 -9.720 -12.038 1.00 0.00 H new ATOM 0 HG3 LYS A 124 7.171 -8.766 -10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.343 -6.689 -11.808 1.00 0.00 H new ATOM 0 HD3 LYS A 124 9.066 -7.704 -13.041 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.170 -6.912 -12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 124 7.182 -6.787 -14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 5.700 -8.540 -14.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 7.187 -9.284 -14.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 5.969 -9.230 -12.972 1.00 0.00 H new ATOM 1912 N LEU A 125 10.455 -9.176 -7.544 1.00 0.00 N ATOM 1913 CA LEU A 125 11.555 -9.060 -6.596 1.00 0.00 C ATOM 1914 C LEU A 125 11.646 -10.295 -5.694 1.00 0.00 C ATOM 1915 O LEU A 125 12.666 -10.477 -5.031 1.00 0.00 O ATOM 1916 CB LEU A 125 11.373 -7.763 -5.788 1.00 0.00 C ATOM 1917 CG LEU A 125 11.910 -6.531 -6.549 1.00 0.00 C ATOM 1918 CD1 LEU A 125 11.096 -5.280 -6.235 1.00 0.00 C ATOM 1919 CD2 LEU A 125 13.361 -6.255 -6.146 1.00 0.00 C ATOM 0 H LEU A 125 9.668 -8.571 -7.311 1.00 0.00 H new ATOM 0 HA LEU A 125 12.501 -9.010 -7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.316 -7.620 -5.565 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.891 -7.854 -4.833 1.00 0.00 H new ATOM 0 HG LEU A 125 11.837 -6.755 -7.613 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.502 -4.433 -6.788 1.00 0.00 H new ATOM 0 HD12 LEU A 125 10.058 -5.439 -6.526 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.145 -5.073 -5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.730 -5.384 -6.688 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.411 -6.063 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.977 -7.121 -6.388 1.00 0.00 H new ATOM 1931 N ASN A 126 10.636 -11.172 -5.696 1.00 0.00 N ATOM 1932 CA ASN A 126 10.492 -12.376 -4.868 1.00 0.00 C ATOM 1933 C ASN A 126 10.184 -12.050 -3.399 1.00 0.00 C ATOM 1934 O ASN A 126 10.395 -12.854 -2.492 1.00 0.00 O ATOM 1935 CB ASN A 126 11.687 -13.332 -5.035 1.00 0.00 C ATOM 1936 CG ASN A 126 11.339 -14.719 -4.522 1.00 0.00 C ATOM 1937 OD1 ASN A 126 10.255 -15.218 -4.792 1.00 0.00 O ATOM 1938 ND2 ASN A 126 12.244 -15.395 -3.842 1.00 0.00 N ATOM 0 H ASN A 126 9.840 -11.051 -6.322 1.00 0.00 H new ATOM 0 HA ASN A 126 9.617 -12.910 -5.237 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.971 -13.388 -6.086 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.549 -12.943 -4.492 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.045 -16.347 -3.534 1.00 0.00 H new ATOM 0 HD22 ASN A 126 13.144 -14.966 -3.624 1.00 0.00 H new ATOM 1945 N TRP A 127 9.687 -10.843 -3.143 1.00 0.00 N ATOM 1946 CA TRP A 127 9.324 -10.318 -1.831 1.00 0.00 C ATOM 1947 C TRP A 127 7.897 -10.741 -1.406 1.00 0.00 C ATOM 1948 O TRP A 127 7.322 -10.161 -0.481 1.00 0.00 O ATOM 1949 CB TRP A 127 9.515 -8.798 -1.886 1.00 0.00 C ATOM 1950 CG TRP A 127 10.898 -8.225 -2.031 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.053 -8.882 -2.273 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.270 -6.819 -1.965 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.104 -7.987 -2.310 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.671 -6.689 -2.174 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.553 -5.636 -1.718 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.308 -5.440 -2.181 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.182 -4.382 -1.667 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.553 -4.285 -1.939 1.00 0.00 C ATOM 0 H TRP A 127 9.517 -10.167 -3.888 1.00 0.00 H new ATOM 0 HA TRP A 127 9.967 -10.738 -1.057 1.00 0.00 H new ATOM 0 HB2 TRP A 127 8.919 -8.425 -2.719 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.084 -8.383 -0.975 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.141 -9.949 -2.416 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.081 -8.256 -2.424 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.486 -5.693 -1.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.369 -5.369 -2.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.613 -3.498 -1.420 1.00 0.00 H new ATOM 0 HH2 TRP A 127 13.030 -3.316 -1.962 1.00 0.00 H new ATOM 1969 N ALA A 128 7.321 -11.750 -2.070 1.00 0.00 N ATOM 1970 CA ALA A 128 5.979 -12.289 -1.857 1.00 0.00 C ATOM 1971 C ALA A 128 6.082 -13.781 -1.567 1.00 0.00 C ATOM 1972 O ALA A 128 7.139 -14.374 -1.852 1.00 0.00 O ATOM 1973 CB ALA A 128 5.130 -12.042 -3.109 1.00 0.00 C ATOM 0 H ALA A 128 7.813 -12.240 -2.817 1.00 0.00 H new ATOM 0 HA ALA A 128 5.505 -11.795 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.128 -12.443 -2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.067 -10.971 -3.300 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.590 -12.537 -3.964 1.00 0.00 H new TER 1979 ALA A 128