USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 916 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 24 HIS : +bothHN:sc= 0.763 K(o=1.9,f=-7.6!) USER MOD Set 1.2: B 206 ASN : amide:sc= 0 X(o=1.9,f=1.6) USER MOD Set 1.3: B 207 SER OG : rot 0:sc= 1.15 USER MOD Set 2.1: A 69 LYS NZ :NH3+ 146:sc= 1.11 (180deg=-0.309!) USER MOD Set 2.2: A 76 THR OG1 : rot -167:sc= -1.49 USER MOD Set 3.1: A 39 ASN : amide:sc= -0.174 K(o=-0.16,f=-4.6!) USER MOD Set 3.2: A 40 SER OG : rot 180:sc= 0.0174 USER MOD Set 4.1: A 3 LYS NZ :NH3+ -122:sc= 1.3 (180deg=-0.448) USER MOD Set 4.2: A 9 GLN : amide:sc= 1.95 K(o=4.2,f=-6.7!) USER MOD Set 4.3: A 19 SER OG : rot 127:sc= 1 USER MOD Set 5.1: A 4 THR OG1 : rot 180:sc= -0.583 USER MOD Set 5.2: A 84 GLN : amide:sc= 1.01 K(o=2.6,f=-3.7) USER MOD Set 5.3: A 87 CYS SG : rot 51:sc= 2.13 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0672 (180deg=-0.0672) USER MOD Single : A 7 MET CE :methyl -143:sc= 0 (180deg=-0.0071) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -150:sc= 0.141 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.439 K(o=-0.44,f=-1.2) USER MOD Single : A 29 TYR OH : rot 30:sc= 0.262 USER MOD Single : A 34 THR OG1 : rot 86:sc= 1.18 USER MOD Single : A 36 GLN : amide:sc= -0.0867 K(o=-0.087,f=-0.61) USER MOD Single : A 37 GLN : amide:sc= -1.03! C(o=-1!,f=-5.1!) USER MOD Single : A 45 GLN : amide:sc= 0.0671 K(o=0.067,f=-3.9!) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 55 THR OG1 : rot -160:sc= -1.4 USER MOD Single : A 62 GLN : amide:sc= -4.03 K(o=-4,f=-5.7!) USER MOD Single : A 63 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0327) USER MOD Single : A 67 LYS NZ :NH3+ 178:sc= 1.97 (180deg=1.95) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 151:sc= 0.309 (180deg=0.0565) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -81:sc= 0.186 USER MOD Single : A 83 MET CE :methyl -168:sc=-0.00354 (180deg=-0.197) USER MOD Single : A 85 ASN : amide:sc= -3.18! C(o=-3.2!,f=-4.1!) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 161:sc= 1.17 (180deg=0.955) USER MOD Single : A 96 SER OG : rot 180:sc= 0.00184 USER MOD Single : A 97 ASN : amide:sc= -2.1! C(o=-2.1!,f=-2.1!) USER MOD Single : B 192 TYR OH : rot -150:sc= 1.05 USER MOD Single : B 196 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 199 LYS NZ :NH3+ -173:sc=-0.00171 (180deg=-0.0677) USER MOD Single : B 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 204 MET CE :methyl 148:sc= -0.044 (180deg=-1.93!) USER MOD Single : B 205 THR OG1 : rot 72:sc=-0.00699 USER MOD Single : B 208 HIS :FLIP no HE2:sc= 0.186 F(o=-0.72,f=0.19) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.142 -13.677 -9.822 1.00 1.79 N ATOM 2 CA MET A 1 -3.973 -12.297 -9.307 1.00 1.50 C ATOM 3 C MET A 1 -5.304 -11.548 -9.294 1.00 1.45 C ATOM 4 O MET A 1 -5.342 -10.341 -9.051 1.00 2.06 O ATOM 5 CB MET A 1 -2.950 -11.524 -10.148 1.00 1.78 C ATOM 6 CG MET A 1 -3.429 -11.176 -11.549 1.00 2.07 C ATOM 7 SD MET A 1 -2.223 -10.191 -12.462 1.00 2.89 S ATOM 8 CE MET A 1 -3.071 -9.982 -14.026 1.00 2.97 C ATOM 0 H1 MET A 1 -3.223 -14.163 -9.820 1.00 1.79 H new ATOM 0 H2 MET A 1 -4.809 -14.195 -9.215 1.00 1.79 H new ATOM 0 H3 MET A 1 -4.513 -13.642 -10.793 1.00 1.79 H new ATOM 0 HA MET A 1 -3.606 -12.371 -8.283 1.00 1.50 H new ATOM 0 HB2 MET A 1 -2.689 -10.603 -9.626 1.00 1.78 H new ATOM 0 HB3 MET A 1 -2.038 -12.116 -10.225 1.00 1.78 H new ATOM 0 HG2 MET A 1 -3.635 -12.095 -12.099 1.00 2.07 H new ATOM 0 HG3 MET A 1 -4.368 -10.627 -11.483 1.00 2.07 H new ATOM 0 HE1 MET A 1 -2.451 -9.392 -14.700 1.00 2.97 H new ATOM 0 HE2 MET A 1 -3.261 -10.959 -14.470 1.00 2.97 H new ATOM 0 HE3 MET A 1 -4.018 -9.468 -13.861 1.00 2.97 H new ATOM 20 N ALA A 2 -6.398 -12.261 -9.540 1.00 1.41 N ATOM 21 CA ALA A 2 -7.715 -11.640 -9.559 1.00 1.47 C ATOM 22 C ALA A 2 -8.257 -11.464 -8.147 1.00 1.31 C ATOM 23 O ALA A 2 -9.094 -12.242 -7.683 1.00 1.40 O ATOM 24 CB ALA A 2 -8.684 -12.457 -10.403 1.00 1.83 C ATOM 0 H ALA A 2 -6.398 -13.264 -9.728 1.00 1.41 H new ATOM 0 HA ALA A 2 -7.613 -10.653 -10.009 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -9.662 -11.975 -10.403 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -8.311 -12.522 -11.425 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -8.774 -13.460 -9.985 1.00 1.83 H new ATOM 30 N LYS A 3 -7.755 -10.449 -7.455 1.00 1.21 N ATOM 31 CA LYS A 3 -8.198 -10.159 -6.101 1.00 1.10 C ATOM 32 C LYS A 3 -9.518 -9.393 -6.151 1.00 1.05 C ATOM 33 O LYS A 3 -9.566 -8.185 -5.927 1.00 1.21 O ATOM 34 CB LYS A 3 -7.128 -9.362 -5.340 1.00 1.11 C ATOM 35 CG LYS A 3 -7.483 -9.100 -3.883 1.00 1.22 C ATOM 36 CD LYS A 3 -6.248 -9.043 -2.993 1.00 1.18 C ATOM 37 CE LYS A 3 -6.630 -8.860 -1.534 1.00 1.23 C ATOM 38 NZ LYS A 3 -5.624 -9.444 -0.605 1.00 1.47 N ATOM 0 H LYS A 3 -7.041 -9.814 -7.811 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.354 -11.096 -5.566 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -6.184 -9.905 -5.383 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -6.971 -8.408 -5.844 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -8.028 -8.159 -3.807 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -8.150 -9.885 -3.526 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -5.671 -9.960 -3.108 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -5.606 -8.221 -3.309 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -6.742 -7.797 -1.322 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -7.599 -9.325 -1.354 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -6.082 -10.153 0.002 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -4.866 -9.897 -1.154 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -5.220 -8.691 -0.013 1.00 1.47 H new ATOM 52 N THR A 4 -10.583 -10.104 -6.497 1.00 1.06 N ATOM 53 CA THR A 4 -11.911 -9.514 -6.592 1.00 1.06 C ATOM 54 C THR A 4 -12.989 -10.553 -6.294 1.00 1.13 C ATOM 55 O THR A 4 -13.969 -10.278 -5.600 1.00 1.27 O ATOM 56 CB THR A 4 -12.150 -8.919 -7.997 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.066 -8.049 -8.346 1.00 1.22 O ATOM 58 CG2 THR A 4 -13.466 -8.153 -8.053 1.00 1.23 C ATOM 0 H THR A 4 -10.551 -11.099 -6.718 1.00 1.06 H new ATOM 0 HA THR A 4 -11.969 -8.716 -5.852 1.00 1.06 H new ATOM 0 HB THR A 4 -12.204 -9.741 -8.711 1.00 1.12 H new ATOM 0 HG1 THR A 4 -11.221 -7.675 -9.238 1.00 1.22 H new ATOM 0 HG21 THR A 4 -13.607 -7.745 -9.054 1.00 1.23 H new ATOM 0 HG22 THR A 4 -14.289 -8.827 -7.816 1.00 1.23 H new ATOM 0 HG23 THR A 4 -13.444 -7.338 -7.329 1.00 1.23 H new ATOM 66 N GLU A 5 -12.778 -11.761 -6.793 1.00 1.20 N ATOM 67 CA GLU A 5 -13.730 -12.853 -6.616 1.00 1.33 C ATOM 68 C GLU A 5 -13.535 -13.566 -5.274 1.00 1.31 C ATOM 69 O GLU A 5 -13.935 -14.719 -5.116 1.00 1.58 O ATOM 70 CB GLU A 5 -13.568 -13.852 -7.759 1.00 1.56 C ATOM 71 CG GLU A 5 -13.418 -13.195 -9.120 1.00 1.73 C ATOM 72 CD GLU A 5 -14.671 -13.306 -9.957 1.00 1.94 C ATOM 73 OE1 GLU A 5 -14.810 -14.311 -10.686 1.00 2.37 O ATOM 74 OE2 GLU A 5 -15.526 -12.400 -9.890 1.00 2.15 O ATOM 0 H GLU A 5 -11.948 -12.014 -7.329 1.00 1.20 H new ATOM 0 HA GLU A 5 -14.735 -12.431 -6.623 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -12.694 -14.474 -7.566 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -14.433 -14.515 -7.777 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -13.166 -12.143 -8.986 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -12.587 -13.656 -9.653 1.00 1.73 H new ATOM 81 N GLU A 6 -12.947 -12.879 -4.308 1.00 1.20 N ATOM 82 CA GLU A 6 -12.702 -13.476 -3.004 1.00 1.19 C ATOM 83 C GLU A 6 -13.668 -12.931 -1.957 1.00 1.14 C ATOM 84 O GLU A 6 -14.608 -13.616 -1.552 1.00 1.26 O ATOM 85 CB GLU A 6 -11.260 -13.216 -2.564 1.00 1.16 C ATOM 86 CG GLU A 6 -10.254 -13.297 -3.700 1.00 1.41 C ATOM 87 CD GLU A 6 -8.825 -13.160 -3.222 1.00 1.47 C ATOM 88 OE1 GLU A 6 -8.421 -12.039 -2.855 1.00 1.83 O ATOM 89 OE2 GLU A 6 -8.097 -14.177 -3.219 1.00 1.64 O ATOM 0 H GLU A 6 -12.632 -11.913 -4.400 1.00 1.20 H new ATOM 0 HA GLU A 6 -12.863 -14.550 -3.093 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -11.201 -12.228 -2.107 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -10.987 -13.940 -1.796 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.371 -14.250 -4.217 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -10.467 -12.512 -4.426 1.00 1.41 H new ATOM 96 N MET A 7 -13.424 -11.690 -1.537 1.00 1.05 N ATOM 97 CA MET A 7 -14.234 -11.018 -0.513 1.00 1.09 C ATOM 98 C MET A 7 -14.069 -11.707 0.839 1.00 1.12 C ATOM 99 O MET A 7 -14.901 -11.570 1.731 1.00 1.32 O ATOM 100 CB MET A 7 -15.717 -10.955 -0.904 1.00 1.22 C ATOM 101 CG MET A 7 -16.403 -9.683 -0.432 1.00 1.44 C ATOM 102 SD MET A 7 -18.198 -9.805 -0.448 1.00 1.75 S ATOM 103 CE MET A 7 -18.488 -10.709 1.071 1.00 2.16 C ATOM 0 H MET A 7 -12.659 -11.119 -1.896 1.00 1.05 H new ATOM 0 HA MET A 7 -13.872 -9.993 -0.435 1.00 1.09 H new ATOM 0 HB2 MET A 7 -15.804 -11.027 -1.988 1.00 1.22 H new ATOM 0 HB3 MET A 7 -16.235 -11.817 -0.484 1.00 1.22 H new ATOM 0 HG2 MET A 7 -16.069 -9.450 0.579 1.00 1.44 H new ATOM 0 HG3 MET A 7 -16.095 -8.853 -1.068 1.00 1.44 H new ATOM 0 HE1 MET A 7 -19.316 -11.404 0.929 1.00 2.16 H new ATOM 0 HE2 MET A 7 -17.590 -11.265 1.341 1.00 2.16 H new ATOM 0 HE3 MET A 7 -18.735 -10.009 1.869 1.00 2.16 H new ATOM 113 N VAL A 8 -12.979 -12.449 0.977 1.00 1.13 N ATOM 114 CA VAL A 8 -12.679 -13.155 2.211 1.00 1.22 C ATOM 115 C VAL A 8 -11.217 -12.947 2.592 1.00 1.14 C ATOM 116 O VAL A 8 -10.344 -13.724 2.212 1.00 1.34 O ATOM 117 CB VAL A 8 -12.988 -14.668 2.107 1.00 1.45 C ATOM 118 CG1 VAL A 8 -14.463 -14.934 2.383 1.00 1.70 C ATOM 119 CG2 VAL A 8 -12.599 -15.219 0.740 1.00 1.49 C ATOM 0 H VAL A 8 -12.284 -12.577 0.242 1.00 1.13 H new ATOM 0 HA VAL A 8 -13.322 -12.741 2.987 1.00 1.22 H new ATOM 0 HB VAL A 8 -12.391 -15.181 2.861 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -14.661 -16.003 2.305 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -14.713 -14.591 3.387 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -15.072 -14.399 1.654 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -12.828 -16.284 0.698 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -13.159 -14.697 -0.036 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -11.531 -15.071 0.579 1.00 1.49 H new ATOM 129 N GLN A 9 -10.951 -11.855 3.297 1.00 0.97 N ATOM 130 CA GLN A 9 -9.600 -11.531 3.730 1.00 0.93 C ATOM 131 C GLN A 9 -9.584 -11.103 5.200 1.00 0.91 C ATOM 132 O GLN A 9 -9.657 -11.941 6.096 1.00 0.98 O ATOM 133 CB GLN A 9 -9.009 -10.432 2.842 1.00 0.89 C ATOM 134 CG GLN A 9 -8.708 -10.888 1.420 1.00 1.00 C ATOM 135 CD GLN A 9 -7.515 -11.821 1.350 1.00 1.20 C ATOM 136 OE1 GLN A 9 -6.377 -11.382 1.195 1.00 1.49 O ATOM 137 NE2 GLN A 9 -7.761 -13.113 1.469 1.00 1.43 N ATOM 0 H GLN A 9 -11.657 -11.176 3.582 1.00 0.97 H new ATOM 0 HA GLN A 9 -8.985 -12.426 3.634 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -9.705 -9.594 2.805 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -8.090 -10.064 3.298 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -9.584 -11.392 1.010 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -8.520 -10.016 0.794 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -8.719 -13.440 1.596 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -6.993 -13.784 1.434 1.00 1.43 H new ATOM 146 N THR A 10 -9.504 -9.800 5.443 1.00 0.91 N ATOM 147 CA THR A 10 -9.475 -9.274 6.804 1.00 0.91 C ATOM 148 C THR A 10 -10.775 -8.554 7.142 1.00 0.88 C ATOM 149 O THR A 10 -11.102 -7.530 6.540 1.00 0.82 O ATOM 150 CB THR A 10 -8.299 -8.294 6.996 1.00 0.89 C ATOM 151 OG1 THR A 10 -7.110 -8.831 6.403 1.00 0.98 O ATOM 152 CG2 THR A 10 -8.053 -8.016 8.473 1.00 0.96 C ATOM 0 H THR A 10 -9.458 -9.087 4.715 1.00 0.91 H new ATOM 0 HA THR A 10 -9.349 -10.126 7.472 1.00 0.91 H new ATOM 0 HB THR A 10 -8.559 -7.355 6.506 1.00 0.89 H new ATOM 0 HG1 THR A 10 -6.369 -8.202 6.528 1.00 0.98 H new ATOM 0 HG21 THR A 10 -7.219 -7.322 8.579 1.00 0.96 H new ATOM 0 HG22 THR A 10 -8.948 -7.577 8.915 1.00 0.96 H new ATOM 0 HG23 THR A 10 -7.816 -8.949 8.984 1.00 0.96 H new ATOM 160 N GLU A 11 -11.518 -9.096 8.095 1.00 0.99 N ATOM 161 CA GLU A 11 -12.780 -8.505 8.512 1.00 1.04 C ATOM 162 C GLU A 11 -12.563 -7.504 9.642 1.00 1.02 C ATOM 163 O GLU A 11 -11.680 -7.688 10.483 1.00 1.03 O ATOM 164 CB GLU A 11 -13.749 -9.595 8.972 1.00 1.19 C ATOM 165 CG GLU A 11 -15.162 -9.093 9.205 1.00 1.29 C ATOM 166 CD GLU A 11 -16.182 -9.827 8.370 1.00 1.51 C ATOM 167 OE1 GLU A 11 -16.002 -9.908 7.142 1.00 1.58 O ATOM 168 OE2 GLU A 11 -17.163 -10.342 8.941 1.00 1.89 O ATOM 0 H GLU A 11 -11.267 -9.948 8.596 1.00 0.99 H new ATOM 0 HA GLU A 11 -13.206 -7.981 7.657 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -13.773 -10.388 8.224 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -13.373 -10.038 9.894 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -15.414 -9.203 10.260 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -15.208 -8.028 8.976 1.00 1.29 H new ATOM 175 N GLU A 12 -13.368 -6.452 9.651 1.00 1.07 N ATOM 176 CA GLU A 12 -13.287 -5.427 10.680 1.00 1.10 C ATOM 177 C GLU A 12 -14.687 -5.155 11.224 1.00 1.22 C ATOM 178 O GLU A 12 -15.536 -6.044 11.207 1.00 1.54 O ATOM 179 CB GLU A 12 -12.660 -4.148 10.115 1.00 1.07 C ATOM 180 CG GLU A 12 -11.910 -3.331 11.155 1.00 1.18 C ATOM 181 CD GLU A 12 -12.446 -1.920 11.286 1.00 1.74 C ATOM 182 OE1 GLU A 12 -13.645 -1.709 11.016 1.00 2.22 O ATOM 183 OE2 GLU A 12 -11.673 -1.021 11.673 1.00 2.23 O ATOM 0 H GLU A 12 -14.091 -6.286 8.951 1.00 1.07 H new ATOM 0 HA GLU A 12 -12.650 -5.775 11.493 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -11.975 -4.413 9.310 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -13.444 -3.531 9.676 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -11.976 -3.832 12.121 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -10.854 -3.291 10.888 1.00 1.18 H new ATOM 190 N MET A 13 -14.937 -3.938 11.686 1.00 1.20 N ATOM 191 CA MET A 13 -16.242 -3.585 12.227 1.00 1.31 C ATOM 192 C MET A 13 -17.245 -3.446 11.096 1.00 1.28 C ATOM 193 O MET A 13 -18.367 -3.948 11.177 1.00 1.46 O ATOM 194 CB MET A 13 -16.167 -2.282 13.025 1.00 1.40 C ATOM 195 CG MET A 13 -15.286 -2.374 14.259 1.00 1.63 C ATOM 196 SD MET A 13 -15.177 -0.813 15.155 1.00 1.83 S ATOM 197 CE MET A 13 -14.148 -1.291 16.543 1.00 2.25 C ATOM 0 H MET A 13 -14.255 -3.180 11.697 1.00 1.20 H new ATOM 0 HA MET A 13 -16.564 -4.379 12.901 1.00 1.31 H new ATOM 0 HB2 MET A 13 -15.789 -1.491 12.378 1.00 1.40 H new ATOM 0 HB3 MET A 13 -17.173 -1.993 13.328 1.00 1.40 H new ATOM 0 HG2 MET A 13 -15.679 -3.143 14.924 1.00 1.63 H new ATOM 0 HG3 MET A 13 -14.285 -2.689 13.963 1.00 1.63 H new ATOM 0 HE1 MET A 13 -13.989 -0.430 17.192 1.00 2.25 H new ATOM 0 HE2 MET A 13 -14.641 -2.083 17.106 1.00 2.25 H new ATOM 0 HE3 MET A 13 -13.187 -1.651 16.176 1.00 2.25 H new ATOM 207 N GLU A 14 -16.829 -2.770 10.032 1.00 1.19 N ATOM 208 CA GLU A 14 -17.691 -2.572 8.875 1.00 1.18 C ATOM 209 C GLU A 14 -17.127 -3.284 7.651 1.00 1.09 C ATOM 210 O GLU A 14 -17.875 -3.901 6.889 1.00 1.18 O ATOM 211 CB GLU A 14 -17.864 -1.083 8.577 1.00 1.19 C ATOM 212 CG GLU A 14 -18.889 -0.802 7.488 1.00 1.29 C ATOM 213 CD GLU A 14 -18.802 0.608 6.940 1.00 1.54 C ATOM 214 OE1 GLU A 14 -18.421 1.522 7.698 1.00 2.13 O ATOM 215 OE2 GLU A 14 -19.127 0.811 5.752 1.00 2.02 O ATOM 0 H GLU A 14 -15.903 -2.351 9.947 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.666 -2.999 9.109 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -18.164 -0.569 9.490 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -16.903 -0.665 8.278 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -18.748 -1.512 6.673 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -19.889 -0.969 7.887 1.00 1.29 H new ATOM 222 N THR A 15 -15.813 -3.194 7.474 1.00 0.98 N ATOM 223 CA THR A 15 -15.138 -3.817 6.344 1.00 0.90 C ATOM 224 C THR A 15 -15.435 -5.319 6.276 1.00 0.94 C ATOM 225 O THR A 15 -15.081 -6.074 7.185 1.00 0.98 O ATOM 226 CB THR A 15 -13.622 -3.587 6.438 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.362 -2.489 7.326 1.00 0.83 O ATOM 228 CG2 THR A 15 -13.037 -3.280 5.070 1.00 0.91 C ATOM 0 H THR A 15 -15.191 -2.690 8.106 1.00 0.98 H new ATOM 0 HA THR A 15 -15.517 -3.354 5.433 1.00 0.90 H new ATOM 0 HB THR A 15 -13.155 -4.495 6.819 1.00 0.84 H new ATOM 0 HG1 THR A 15 -12.538 -2.034 7.052 1.00 0.83 H new ATOM 0 HG21 THR A 15 -11.963 -3.121 5.161 1.00 0.91 H new ATOM 0 HG22 THR A 15 -13.224 -4.118 4.398 1.00 0.91 H new ATOM 0 HG23 THR A 15 -13.504 -2.381 4.668 1.00 0.91 H new ATOM 236 N PRO A 16 -16.087 -5.764 5.188 1.00 0.97 N ATOM 237 CA PRO A 16 -16.462 -7.165 5.002 1.00 1.04 C ATOM 238 C PRO A 16 -15.323 -8.026 4.466 1.00 0.96 C ATOM 239 O PRO A 16 -15.315 -8.397 3.291 1.00 0.96 O ATOM 240 CB PRO A 16 -17.590 -7.073 3.978 1.00 1.12 C ATOM 241 CG PRO A 16 -17.233 -5.896 3.137 1.00 1.07 C ATOM 242 CD PRO A 16 -16.508 -4.932 4.041 1.00 0.98 C ATOM 0 HA PRO A 16 -16.740 -7.642 5.942 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -17.659 -7.982 3.380 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -18.557 -6.936 4.463 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -16.601 -6.194 2.300 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -18.126 -5.435 2.714 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -15.652 -4.482 3.539 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -17.158 -4.116 4.357 1.00 0.98 H new ATOM 250 N ARG A 17 -14.362 -8.327 5.332 1.00 0.95 N ATOM 251 CA ARG A 17 -13.220 -9.160 4.965 1.00 0.92 C ATOM 252 C ARG A 17 -12.491 -8.592 3.745 1.00 0.82 C ATOM 253 O ARG A 17 -12.264 -9.290 2.754 1.00 0.83 O ATOM 254 CB ARG A 17 -13.695 -10.589 4.692 1.00 1.01 C ATOM 255 CG ARG A 17 -13.159 -11.607 5.683 1.00 1.13 C ATOM 256 CD ARG A 17 -14.111 -12.781 5.843 1.00 1.19 C ATOM 257 NE ARG A 17 -15.272 -12.440 6.659 1.00 1.38 N ATOM 258 CZ ARG A 17 -16.060 -13.338 7.248 1.00 1.67 C ATOM 259 NH1 ARG A 17 -15.823 -14.638 7.103 1.00 1.84 N ATOM 260 NH2 ARG A 17 -17.084 -12.933 7.989 1.00 1.94 N ATOM 0 H ARG A 17 -14.351 -8.005 6.300 1.00 0.95 H new ATOM 0 HA ARG A 17 -12.514 -9.169 5.795 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.785 -10.611 4.714 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -13.391 -10.878 3.686 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -12.187 -11.968 5.346 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -13.003 -11.129 6.650 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -14.445 -13.113 4.860 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -13.581 -13.617 6.299 1.00 1.19 H new ATOM 0 HE ARG A 17 -15.494 -11.453 6.786 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -15.034 -14.953 6.538 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -16.430 -15.321 7.557 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -17.266 -11.936 8.106 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -17.689 -13.619 8.441 1.00 1.94 H new ATOM 274 N LEU A 18 -12.092 -7.333 3.847 1.00 0.75 N ATOM 275 CA LEU A 18 -11.417 -6.650 2.755 1.00 0.67 C ATOM 276 C LEU A 18 -10.004 -6.226 3.143 1.00 0.63 C ATOM 277 O LEU A 18 -9.816 -5.372 4.012 1.00 0.66 O ATOM 278 CB LEU A 18 -12.225 -5.420 2.342 1.00 0.65 C ATOM 279 CG LEU A 18 -12.882 -5.482 0.965 1.00 0.64 C ATOM 280 CD1 LEU A 18 -13.904 -6.606 0.906 1.00 0.78 C ATOM 281 CD2 LEU A 18 -13.539 -4.150 0.635 1.00 0.66 C ATOM 0 H LEU A 18 -12.225 -6.761 4.681 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.341 -7.346 1.920 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -13.003 -5.254 3.087 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -11.567 -4.551 2.370 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.109 -5.685 0.224 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.360 -6.632 -0.084 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.410 -7.558 1.103 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -14.676 -6.436 1.656 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.004 -4.207 -0.349 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.299 -3.924 1.383 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -12.785 -3.363 0.635 1.00 0.66 H new ATOM 293 N SER A 19 -9.016 -6.828 2.499 1.00 0.63 N ATOM 294 CA SER A 19 -7.624 -6.491 2.752 1.00 0.64 C ATOM 295 C SER A 19 -6.975 -6.050 1.450 1.00 0.61 C ATOM 296 O SER A 19 -7.323 -6.546 0.378 1.00 0.70 O ATOM 297 CB SER A 19 -6.864 -7.674 3.356 1.00 0.77 C ATOM 298 OG SER A 19 -6.459 -8.596 2.357 1.00 1.44 O ATOM 0 H SER A 19 -9.153 -7.554 1.796 1.00 0.63 H new ATOM 0 HA SER A 19 -7.586 -5.677 3.476 1.00 0.64 H new ATOM 0 HB2 SER A 19 -5.988 -7.309 3.893 1.00 0.77 H new ATOM 0 HB3 SER A 19 -7.497 -8.180 4.085 1.00 0.77 H new ATOM 0 HG SER A 19 -5.497 -8.763 2.437 1.00 1.44 H new ATOM 304 N VAL A 20 -6.038 -5.130 1.535 1.00 0.55 N ATOM 305 CA VAL A 20 -5.375 -4.620 0.349 1.00 0.56 C ATOM 306 C VAL A 20 -3.901 -5.015 0.314 1.00 0.67 C ATOM 307 O VAL A 20 -3.225 -5.059 1.345 1.00 0.73 O ATOM 308 CB VAL A 20 -5.502 -3.084 0.265 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.877 -2.431 1.485 1.00 0.55 C ATOM 310 CG2 VAL A 20 -4.874 -2.557 -1.018 1.00 0.53 C ATOM 0 H VAL A 20 -5.717 -4.719 2.411 1.00 0.55 H new ATOM 0 HA VAL A 20 -5.871 -5.068 -0.512 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.561 -2.828 0.247 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.976 -1.348 1.409 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -5.385 -2.779 2.384 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.821 -2.696 1.539 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -4.976 -1.472 -1.054 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -3.817 -2.823 -1.042 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -5.379 -2.998 -1.878 1.00 0.53 H new ATOM 320 N ILE A 21 -3.415 -5.316 -0.880 1.00 0.73 N ATOM 321 CA ILE A 21 -2.025 -5.686 -1.065 1.00 0.86 C ATOM 322 C ILE A 21 -1.192 -4.436 -1.325 1.00 0.87 C ATOM 323 O ILE A 21 -1.115 -3.950 -2.456 1.00 0.88 O ATOM 324 CB ILE A 21 -1.853 -6.680 -2.237 1.00 0.96 C ATOM 325 CG1 ILE A 21 -2.663 -7.953 -1.977 1.00 0.98 C ATOM 326 CG2 ILE A 21 -0.382 -7.014 -2.448 1.00 1.11 C ATOM 327 CD1 ILE A 21 -2.630 -8.941 -3.124 1.00 1.10 C ATOM 0 H ILE A 21 -3.967 -5.310 -1.738 1.00 0.73 H new ATOM 0 HA ILE A 21 -1.683 -6.178 -0.154 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.228 -6.210 -3.146 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -2.281 -8.439 -1.079 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -3.698 -7.679 -1.775 1.00 0.98 H new ATOM 0 HG21 ILE A 21 -0.283 -7.715 -3.277 1.00 1.11 H new ATOM 0 HG22 ILE A 21 0.169 -6.102 -2.676 1.00 1.11 H new ATOM 0 HG23 ILE A 21 0.022 -7.465 -1.542 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -3.226 -9.817 -2.867 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -3.040 -8.473 -4.019 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -1.600 -9.245 -3.313 1.00 1.10 H new ATOM 339 N VAL A 22 -0.612 -3.893 -0.266 1.00 0.89 N ATOM 340 CA VAL A 22 0.219 -2.709 -0.379 1.00 0.93 C ATOM 341 C VAL A 22 1.655 -3.133 -0.625 1.00 1.07 C ATOM 342 O VAL A 22 2.339 -3.586 0.296 1.00 1.15 O ATOM 343 CB VAL A 22 0.163 -1.839 0.890 1.00 0.92 C ATOM 344 CG1 VAL A 22 0.718 -0.452 0.612 1.00 0.97 C ATOM 345 CG2 VAL A 22 -1.258 -1.755 1.419 1.00 0.80 C ATOM 0 H VAL A 22 -0.703 -4.256 0.683 1.00 0.89 H new ATOM 0 HA VAL A 22 -0.160 -2.114 -1.210 1.00 0.93 H new ATOM 0 HB VAL A 22 0.783 -2.307 1.655 1.00 0.92 H new ATOM 0 HG11 VAL A 22 0.670 0.148 1.521 1.00 0.97 H new ATOM 0 HG12 VAL A 22 1.755 -0.534 0.285 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.128 0.026 -0.170 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -1.276 -1.136 2.316 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.903 -1.313 0.660 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.616 -2.756 1.662 1.00 0.80 H new ATOM 355 N THR A 23 2.113 -2.996 -1.857 1.00 1.12 N ATOM 356 CA THR A 23 3.462 -3.412 -2.200 1.00 1.26 C ATOM 357 C THR A 23 4.379 -2.232 -2.529 1.00 1.32 C ATOM 358 O THR A 23 3.952 -1.191 -3.035 1.00 1.28 O ATOM 359 CB THR A 23 3.460 -4.425 -3.374 1.00 1.33 C ATOM 360 OG1 THR A 23 4.792 -4.895 -3.625 1.00 1.89 O ATOM 361 CG2 THR A 23 2.892 -3.801 -4.642 1.00 1.63 C ATOM 0 H THR A 23 1.576 -2.604 -2.631 1.00 1.12 H new ATOM 0 HA THR A 23 3.861 -3.900 -1.311 1.00 1.26 H new ATOM 0 HB THR A 23 2.825 -5.264 -3.088 1.00 1.33 H new ATOM 0 HG1 THR A 23 4.779 -5.535 -4.367 1.00 1.89 H new ATOM 0 HG21 THR A 23 2.904 -4.536 -5.446 1.00 1.63 H new ATOM 0 HG22 THR A 23 1.867 -3.478 -4.461 1.00 1.63 H new ATOM 0 HG23 THR A 23 3.498 -2.941 -4.927 1.00 1.63 H new ATOM 369 N HIS A 24 5.640 -2.420 -2.190 1.00 1.45 N ATOM 370 CA HIS A 24 6.695 -1.458 -2.432 1.00 1.54 C ATOM 371 C HIS A 24 7.839 -2.206 -3.104 1.00 1.61 C ATOM 372 O HIS A 24 8.795 -2.623 -2.447 1.00 1.63 O ATOM 373 CB HIS A 24 7.133 -0.804 -1.104 1.00 1.58 C ATOM 374 CG HIS A 24 8.460 -0.094 -1.143 1.00 1.68 C ATOM 375 ND1 HIS A 24 9.399 -0.209 -0.140 1.00 1.78 N ATOM 376 CD2 HIS A 24 9.004 0.729 -2.070 1.00 1.75 C ATOM 377 CE1 HIS A 24 10.462 0.508 -0.449 1.00 1.88 C ATOM 378 NE2 HIS A 24 10.249 1.089 -1.615 1.00 1.86 N ATOM 0 H HIS A 24 5.966 -3.268 -1.727 1.00 1.45 H new ATOM 0 HA HIS A 24 6.357 -0.649 -3.080 1.00 1.54 H new ATOM 0 HB2 HIS A 24 6.367 -0.091 -0.799 1.00 1.58 H new ATOM 0 HB3 HIS A 24 7.175 -1.575 -0.335 1.00 1.58 H new ATOM 0 HD1 HIS A 24 9.289 -0.763 0.709 1.00 1.78 H new ATOM 0 HD2 HIS A 24 8.545 1.044 -2.995 1.00 1.75 H new ATOM 0 HE1 HIS A 24 11.355 0.604 0.150 1.00 1.88 H new ATOM 0 HE2 HIS A 24 10.902 1.705 -2.099 1.00 1.86 H new ATOM 387 N SER A 25 7.673 -2.435 -4.406 1.00 1.68 N ATOM 388 CA SER A 25 8.650 -3.152 -5.226 1.00 1.77 C ATOM 389 C SER A 25 8.689 -4.642 -4.848 1.00 1.80 C ATOM 390 O SER A 25 8.278 -5.501 -5.628 1.00 1.90 O ATOM 391 CB SER A 25 10.039 -2.515 -5.099 1.00 1.78 C ATOM 392 OG SER A 25 9.958 -1.097 -5.168 1.00 1.90 O ATOM 0 H SER A 25 6.851 -2.126 -4.926 1.00 1.68 H new ATOM 0 HA SER A 25 8.341 -3.077 -6.269 1.00 1.77 H new ATOM 0 HB2 SER A 25 10.494 -2.811 -4.154 1.00 1.78 H new ATOM 0 HB3 SER A 25 10.687 -2.885 -5.894 1.00 1.78 H new ATOM 0 HG SER A 25 10.856 -0.714 -5.083 1.00 1.90 H new ATOM 398 N ASN A 26 9.162 -4.936 -3.645 1.00 1.77 N ATOM 399 CA ASN A 26 9.250 -6.310 -3.161 1.00 1.82 C ATOM 400 C ASN A 26 8.729 -6.388 -1.724 1.00 1.75 C ATOM 401 O ASN A 26 8.627 -7.464 -1.136 1.00 1.87 O ATOM 402 CB ASN A 26 10.703 -6.795 -3.243 1.00 1.95 C ATOM 403 CG ASN A 26 10.854 -8.302 -3.103 1.00 2.06 C ATOM 404 OD1 ASN A 26 9.891 -9.056 -3.228 1.00 2.28 O ATOM 405 ND2 ASN A 26 12.080 -8.749 -2.856 1.00 2.32 N ATOM 0 H ASN A 26 9.493 -4.237 -2.981 1.00 1.77 H new ATOM 0 HA ASN A 26 8.634 -6.957 -3.785 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.127 -6.483 -4.197 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.284 -6.306 -2.461 1.00 1.95 H new ATOM 0 HD21 ASN A 26 12.249 -9.751 -2.763 1.00 2.32 H new ATOM 0 HD22 ASN A 26 12.853 -8.091 -2.759 1.00 2.32 H new ATOM 412 N GLU A 27 8.388 -5.230 -1.173 1.00 1.66 N ATOM 413 CA GLU A 27 7.878 -5.132 0.189 1.00 1.60 C ATOM 414 C GLU A 27 6.348 -5.124 0.179 1.00 1.47 C ATOM 415 O GLU A 27 5.730 -4.127 -0.181 1.00 1.48 O ATOM 416 CB GLU A 27 8.432 -3.855 0.832 1.00 1.63 C ATOM 417 CG GLU A 27 7.762 -3.454 2.131 1.00 1.89 C ATOM 418 CD GLU A 27 7.763 -1.951 2.330 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.835 -1.328 2.178 1.00 2.14 O ATOM 420 OE2 GLU A 27 6.689 -1.384 2.620 1.00 2.24 O ATOM 0 H GLU A 27 8.457 -4.334 -1.656 1.00 1.66 H new ATOM 0 HA GLU A 27 8.201 -5.994 0.772 1.00 1.60 H new ATOM 0 HB2 GLU A 27 9.498 -3.991 1.016 1.00 1.63 H new ATOM 0 HB3 GLU A 27 8.334 -3.035 0.121 1.00 1.63 H new ATOM 0 HG2 GLU A 27 6.735 -3.820 2.137 1.00 1.89 H new ATOM 0 HG3 GLU A 27 8.275 -3.931 2.966 1.00 1.89 H new ATOM 427 N ARG A 28 5.741 -6.237 0.572 1.00 1.44 N ATOM 428 CA ARG A 28 4.285 -6.351 0.572 1.00 1.33 C ATOM 429 C ARG A 28 3.717 -6.385 1.986 1.00 1.28 C ATOM 430 O ARG A 28 4.174 -7.150 2.833 1.00 1.36 O ATOM 431 CB ARG A 28 3.857 -7.617 -0.181 1.00 1.41 C ATOM 432 CG ARG A 28 2.355 -7.718 -0.434 1.00 1.45 C ATOM 433 CD ARG A 28 1.639 -8.561 0.621 1.00 1.48 C ATOM 434 NE ARG A 28 2.065 -9.961 0.599 1.00 1.48 N ATOM 435 CZ ARG A 28 1.267 -10.993 0.889 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.003 -10.795 1.229 1.00 1.47 N ATOM 437 NH2 ARG A 28 1.743 -12.230 0.842 1.00 1.92 N ATOM 0 H ARG A 28 6.231 -7.072 0.894 1.00 1.44 H new ATOM 0 HA ARG A 28 3.889 -5.468 0.071 1.00 1.33 H new ATOM 0 HB2 ARG A 28 4.378 -7.651 -1.138 1.00 1.41 H new ATOM 0 HB3 ARG A 28 4.178 -8.490 0.387 1.00 1.41 H new ATOM 0 HG2 ARG A 28 1.924 -6.717 -0.448 1.00 1.45 H new ATOM 0 HG3 ARG A 28 2.184 -8.153 -1.419 1.00 1.45 H new ATOM 0 HD2 ARG A 28 1.830 -8.141 1.609 1.00 1.48 H new ATOM 0 HD3 ARG A 28 0.563 -8.509 0.455 1.00 1.48 H new ATOM 0 HE ARG A 28 3.033 -10.162 0.346 1.00 1.48 H new ATOM 0 HH11 ARG A 28 -0.378 -9.847 1.271 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -0.602 -11.591 1.448 1.00 1.47 H new ATOM 0 HH21 ARG A 28 2.717 -12.392 0.585 1.00 1.92 H new ATOM 0 HH22 ARG A 28 1.135 -13.019 1.063 1.00 1.92 H new ATOM 451 N TYR A 29 2.716 -5.550 2.223 1.00 1.17 N ATOM 452 CA TYR A 29 2.038 -5.488 3.508 1.00 1.13 C ATOM 453 C TYR A 29 0.533 -5.518 3.277 1.00 1.01 C ATOM 454 O TYR A 29 -0.009 -4.675 2.563 1.00 1.00 O ATOM 455 CB TYR A 29 2.432 -4.223 4.281 1.00 1.13 C ATOM 456 CG TYR A 29 3.793 -4.301 4.940 1.00 1.30 C ATOM 457 CD1 TYR A 29 3.998 -5.081 6.071 1.00 1.52 C ATOM 458 CD2 TYR A 29 4.871 -3.593 4.430 1.00 1.60 C ATOM 459 CE1 TYR A 29 5.240 -5.156 6.674 1.00 1.82 C ATOM 460 CE2 TYR A 29 6.116 -3.662 5.028 1.00 1.88 C ATOM 461 CZ TYR A 29 6.297 -4.444 6.148 1.00 1.91 C ATOM 462 OH TYR A 29 7.541 -4.517 6.739 1.00 2.29 O ATOM 0 H TYR A 29 2.351 -4.897 1.530 1.00 1.17 H new ATOM 0 HA TYR A 29 2.337 -6.348 4.107 1.00 1.13 H new ATOM 0 HB2 TYR A 29 2.419 -3.374 3.598 1.00 1.13 H new ATOM 0 HB3 TYR A 29 1.680 -4.028 5.046 1.00 1.13 H new ATOM 0 HD1 TYR A 29 3.172 -5.639 6.487 1.00 1.52 H new ATOM 0 HD2 TYR A 29 4.736 -2.978 3.552 1.00 1.60 H new ATOM 0 HE1 TYR A 29 5.381 -5.769 7.552 1.00 1.82 H new ATOM 0 HE2 TYR A 29 6.945 -3.104 4.618 1.00 1.88 H new ATOM 0 HH TYR A 29 7.652 -5.395 7.161 1.00 2.29 H new ATOM 472 N ASP A 30 -0.128 -6.512 3.849 1.00 0.98 N ATOM 473 CA ASP A 30 -1.574 -6.657 3.702 1.00 0.90 C ATOM 474 C ASP A 30 -2.295 -5.816 4.746 1.00 0.84 C ATOM 475 O ASP A 30 -2.295 -6.148 5.935 1.00 0.96 O ATOM 476 CB ASP A 30 -1.980 -8.128 3.833 1.00 0.97 C ATOM 477 CG ASP A 30 -2.619 -8.676 2.570 1.00 1.07 C ATOM 478 OD1 ASP A 30 -1.896 -8.886 1.571 1.00 1.28 O ATOM 479 OD2 ASP A 30 -3.842 -8.935 2.579 1.00 1.34 O ATOM 0 H ASP A 30 0.312 -7.233 4.421 1.00 0.98 H new ATOM 0 HA ASP A 30 -1.860 -6.306 2.710 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -1.100 -8.723 4.077 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -2.678 -8.235 4.664 1.00 0.97 H new ATOM 484 N LEU A 31 -2.898 -4.723 4.299 1.00 0.71 N ATOM 485 CA LEU A 31 -3.607 -3.818 5.193 1.00 0.66 C ATOM 486 C LEU A 31 -5.119 -3.965 5.048 1.00 0.58 C ATOM 487 O LEU A 31 -5.599 -4.793 4.277 1.00 0.59 O ATOM 488 CB LEU A 31 -3.187 -2.371 4.916 1.00 0.66 C ATOM 489 CG LEU A 31 -2.434 -1.672 6.058 1.00 0.77 C ATOM 490 CD1 LEU A 31 -3.373 -1.378 7.219 1.00 0.95 C ATOM 491 CD2 LEU A 31 -1.261 -2.521 6.530 1.00 0.98 C ATOM 0 H LEU A 31 -2.910 -4.441 3.319 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.342 -4.079 6.218 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.557 -2.358 4.027 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -4.079 -1.790 4.683 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.045 -0.727 5.678 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -2.820 -0.883 8.018 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.180 -0.728 6.879 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -3.793 -2.312 7.593 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -0.742 -2.007 7.339 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -1.629 -3.483 6.888 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -0.572 -2.682 5.701 1.00 0.98 H new ATOM 503 N LEU A 32 -5.860 -3.152 5.786 1.00 0.55 N ATOM 504 CA LEU A 32 -7.315 -3.191 5.759 1.00 0.52 C ATOM 505 C LEU A 32 -7.872 -2.008 4.977 1.00 0.43 C ATOM 506 O LEU A 32 -7.253 -0.946 4.927 1.00 0.43 O ATOM 507 CB LEU A 32 -7.868 -3.173 7.188 1.00 0.60 C ATOM 508 CG LEU A 32 -9.393 -3.149 7.297 1.00 0.73 C ATOM 509 CD1 LEU A 32 -9.943 -4.558 7.448 1.00 0.94 C ATOM 510 CD2 LEU A 32 -9.828 -2.271 8.458 1.00 0.85 C ATOM 0 H LEU A 32 -5.473 -2.450 6.417 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.623 -4.112 5.264 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -7.496 -4.052 7.715 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.469 -2.299 7.704 1.00 0.60 H new ATOM 0 HG LEU A 32 -9.798 -2.726 6.378 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -11.030 -4.518 7.524 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -9.661 -5.153 6.580 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -9.533 -5.014 8.349 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -10.916 -2.265 8.522 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -9.412 -2.663 9.386 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.468 -1.254 8.300 1.00 0.85 H new ATOM 522 N VAL A 33 -9.034 -2.208 4.369 1.00 0.41 N ATOM 523 CA VAL A 33 -9.699 -1.168 3.596 1.00 0.36 C ATOM 524 C VAL A 33 -10.413 -0.191 4.528 1.00 0.41 C ATOM 525 O VAL A 33 -10.996 -0.596 5.536 1.00 0.51 O ATOM 526 CB VAL A 33 -10.704 -1.788 2.601 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.548 -0.721 1.915 1.00 0.49 C ATOM 528 CG2 VAL A 33 -9.970 -2.623 1.566 1.00 0.56 C ATOM 0 H VAL A 33 -9.541 -3.093 4.398 1.00 0.41 H new ATOM 0 HA VAL A 33 -8.943 -0.624 3.029 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.379 -2.430 3.168 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.243 -1.196 1.223 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -12.108 -0.162 2.665 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -10.898 -0.040 1.366 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -10.689 -3.055 0.870 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.270 -1.991 1.019 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.423 -3.423 2.065 1.00 0.56 H new ATOM 538 N THR A 34 -10.364 1.087 4.179 1.00 0.39 N ATOM 539 CA THR A 34 -10.977 2.140 4.981 1.00 0.48 C ATOM 540 C THR A 34 -12.510 2.113 4.897 1.00 0.59 C ATOM 541 O THR A 34 -13.085 2.341 3.834 1.00 0.65 O ATOM 542 CB THR A 34 -10.474 3.520 4.525 1.00 0.51 C ATOM 543 OG1 THR A 34 -9.144 3.405 3.995 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.479 4.510 5.683 1.00 0.64 C ATOM 0 H THR A 34 -9.900 1.424 3.335 1.00 0.39 H new ATOM 0 HA THR A 34 -10.689 1.959 6.016 1.00 0.48 H new ATOM 0 HB THR A 34 -11.145 3.889 3.750 1.00 0.51 H new ATOM 0 HG1 THR A 34 -9.190 3.163 3.046 1.00 0.49 H new ATOM 0 HG21 THR A 34 -10.119 5.478 5.335 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.494 4.616 6.066 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.828 4.145 6.477 1.00 0.64 H new ATOM 552 N PRO A 35 -13.188 1.843 6.025 1.00 0.73 N ATOM 553 CA PRO A 35 -14.651 1.791 6.084 1.00 0.89 C ATOM 554 C PRO A 35 -15.274 3.176 6.301 1.00 0.93 C ATOM 555 O PRO A 35 -14.743 4.179 5.819 1.00 0.93 O ATOM 556 CB PRO A 35 -14.887 0.883 7.291 1.00 1.07 C ATOM 557 CG PRO A 35 -13.755 1.192 8.214 1.00 1.07 C ATOM 558 CD PRO A 35 -12.578 1.556 7.341 1.00 0.82 C ATOM 0 HA PRO A 35 -15.105 1.434 5.160 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.849 1.087 7.760 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.890 -0.168 7.003 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -14.012 2.014 8.882 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -13.521 0.333 8.842 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -12.044 2.422 7.731 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.859 0.739 7.279 1.00 0.82 H new ATOM 566 N GLN A 36 -16.410 3.213 7.009 1.00 1.02 N ATOM 567 CA GLN A 36 -17.119 4.456 7.324 1.00 1.13 C ATOM 568 C GLN A 36 -17.753 5.060 6.074 1.00 1.16 C ATOM 569 O GLN A 36 -17.833 6.282 5.931 1.00 1.24 O ATOM 570 CB GLN A 36 -16.182 5.469 7.997 1.00 1.16 C ATOM 571 CG GLN A 36 -15.604 4.988 9.319 1.00 1.38 C ATOM 572 CD GLN A 36 -14.106 5.200 9.415 1.00 1.95 C ATOM 573 OE1 GLN A 36 -13.556 6.133 8.830 1.00 2.47 O ATOM 574 NE2 GLN A 36 -13.435 4.332 10.153 1.00 2.33 N ATOM 0 H GLN A 36 -16.863 2.378 7.380 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.918 4.212 8.025 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -15.363 5.700 7.316 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.727 6.397 8.166 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -16.094 5.514 10.138 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -15.825 3.928 9.443 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -13.928 3.572 10.622 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -12.424 4.422 10.253 1.00 2.33 H new ATOM 583 N GLN A 37 -18.212 4.195 5.174 1.00 1.15 N ATOM 584 CA GLN A 37 -18.856 4.637 3.940 1.00 1.23 C ATOM 585 C GLN A 37 -19.885 3.613 3.476 1.00 1.30 C ATOM 586 O GLN A 37 -21.078 3.755 3.749 1.00 1.64 O ATOM 587 CB GLN A 37 -17.828 4.890 2.831 1.00 1.16 C ATOM 588 CG GLN A 37 -17.307 6.320 2.795 1.00 1.33 C ATOM 589 CD GLN A 37 -18.410 7.349 2.626 1.00 1.52 C ATOM 590 OE1 GLN A 37 -18.741 7.748 1.511 1.00 1.79 O ATOM 591 NE2 GLN A 37 -18.981 7.791 3.734 1.00 1.82 N ATOM 0 H GLN A 37 -18.150 3.182 5.276 1.00 1.15 H new ATOM 0 HA GLN A 37 -19.363 5.578 4.153 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.987 4.209 2.965 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -18.280 4.653 1.868 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -16.764 6.526 3.717 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -16.595 6.421 1.976 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -18.678 7.435 4.641 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -19.724 8.488 3.682 1.00 1.82 H new ATOM 600 N GLY A 38 -19.424 2.580 2.785 1.00 1.14 N ATOM 601 CA GLY A 38 -20.326 1.556 2.305 1.00 1.21 C ATOM 602 C GLY A 38 -19.651 0.211 2.150 1.00 1.14 C ATOM 603 O GLY A 38 -19.613 -0.334 1.046 1.00 1.17 O ATOM 0 H GLY A 38 -18.442 2.434 2.549 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.163 1.461 2.997 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.740 1.863 1.345 1.00 1.21 H new ATOM 607 N ASN A 39 -19.137 -0.316 3.267 1.00 1.13 N ATOM 608 CA ASN A 39 -18.443 -1.616 3.332 1.00 1.11 C ATOM 609 C ASN A 39 -17.424 -1.817 2.201 1.00 0.97 C ATOM 610 O ASN A 39 -16.265 -1.427 2.340 1.00 0.89 O ATOM 611 CB ASN A 39 -19.429 -2.806 3.420 1.00 1.30 C ATOM 612 CG ASN A 39 -20.603 -2.741 2.455 1.00 1.40 C ATOM 613 OD1 ASN A 39 -20.506 -3.171 1.303 1.00 1.84 O ATOM 614 ND2 ASN A 39 -21.722 -2.220 2.924 1.00 1.70 N ATOM 0 H ASN A 39 -19.190 0.155 4.170 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.873 -1.592 4.261 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -18.878 -3.729 3.237 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.817 -2.863 4.437 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -22.547 -2.162 2.327 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.761 -1.875 3.883 1.00 1.70 H new ATOM 621 N SER A 40 -17.843 -2.429 1.095 1.00 1.02 N ATOM 622 CA SER A 40 -16.954 -2.674 -0.039 1.00 0.95 C ATOM 623 C SER A 40 -16.504 -1.358 -0.674 1.00 0.87 C ATOM 624 O SER A 40 -15.478 -1.301 -1.348 1.00 0.82 O ATOM 625 CB SER A 40 -17.659 -3.549 -1.078 1.00 1.07 C ATOM 626 OG SER A 40 -18.445 -4.552 -0.445 1.00 1.30 O ATOM 0 H SER A 40 -18.796 -2.765 0.960 1.00 1.02 H new ATOM 0 HA SER A 40 -16.069 -3.196 0.325 1.00 0.95 H new ATOM 0 HB2 SER A 40 -18.294 -2.929 -1.711 1.00 1.07 H new ATOM 0 HB3 SER A 40 -16.920 -4.017 -1.728 1.00 1.07 H new ATOM 0 HG SER A 40 -18.888 -5.099 -1.127 1.00 1.30 H new ATOM 632 N GLU A 41 -17.287 -0.312 -0.453 1.00 0.92 N ATOM 633 CA GLU A 41 -16.977 1.008 -0.976 1.00 0.88 C ATOM 634 C GLU A 41 -16.322 1.847 0.119 1.00 0.81 C ATOM 635 O GLU A 41 -16.983 2.270 1.073 1.00 0.90 O ATOM 636 CB GLU A 41 -18.248 1.694 -1.486 1.00 1.02 C ATOM 637 CG GLU A 41 -19.018 0.867 -2.506 1.00 1.34 C ATOM 638 CD GLU A 41 -20.273 1.563 -2.985 1.00 1.49 C ATOM 639 OE1 GLU A 41 -21.252 1.631 -2.212 1.00 1.83 O ATOM 640 OE2 GLU A 41 -20.284 2.053 -4.132 1.00 1.73 O ATOM 0 H GLU A 41 -18.149 -0.355 0.090 1.00 0.92 H new ATOM 0 HA GLU A 41 -16.286 0.908 -1.813 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -18.899 1.910 -0.639 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -17.980 2.651 -1.934 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -18.374 0.657 -3.360 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -19.285 -0.093 -2.064 1.00 1.34 H new ATOM 647 N PRO A 42 -15.009 2.076 0.006 1.00 0.69 N ATOM 648 CA PRO A 42 -14.251 2.843 0.987 1.00 0.67 C ATOM 649 C PRO A 42 -14.294 4.345 0.731 1.00 0.69 C ATOM 650 O PRO A 42 -14.897 4.803 -0.236 1.00 0.77 O ATOM 651 CB PRO A 42 -12.838 2.312 0.791 1.00 0.60 C ATOM 652 CG PRO A 42 -12.756 1.979 -0.661 1.00 0.62 C ATOM 653 CD PRO A 42 -14.150 1.599 -1.096 1.00 0.64 C ATOM 0 HA PRO A 42 -14.647 2.728 1.996 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.093 3.057 1.069 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.656 1.433 1.410 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.390 2.831 -1.234 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -12.060 1.158 -0.831 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.416 2.070 -2.042 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -14.244 0.523 -1.239 1.00 0.64 H new ATOM 661 N VAL A 43 -13.648 5.110 1.608 1.00 0.67 N ATOM 662 CA VAL A 43 -13.598 6.561 1.467 1.00 0.72 C ATOM 663 C VAL A 43 -12.677 6.954 0.317 1.00 0.65 C ATOM 664 O VAL A 43 -11.984 6.111 -0.247 1.00 0.58 O ATOM 665 CB VAL A 43 -13.108 7.254 2.758 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.077 7.020 3.905 1.00 0.90 C ATOM 667 CG2 VAL A 43 -11.716 6.781 3.137 1.00 0.67 C ATOM 0 H VAL A 43 -13.153 4.748 2.423 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.616 6.892 1.263 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.064 8.325 2.560 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -13.707 7.519 4.801 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.055 7.423 3.643 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.164 5.950 4.095 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.396 7.285 4.049 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -11.731 5.704 3.304 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.020 7.014 2.331 1.00 0.67 H new ATOM 677 N VAL A 44 -12.657 8.234 -0.021 1.00 0.72 N ATOM 678 CA VAL A 44 -11.807 8.712 -1.105 1.00 0.71 C ATOM 679 C VAL A 44 -10.343 8.724 -0.675 1.00 0.66 C ATOM 680 O VAL A 44 -9.445 8.561 -1.497 1.00 0.68 O ATOM 681 CB VAL A 44 -12.204 10.123 -1.588 1.00 0.85 C ATOM 682 CG1 VAL A 44 -12.280 10.156 -3.107 1.00 1.06 C ATOM 683 CG2 VAL A 44 -13.523 10.568 -0.977 1.00 0.98 C ATOM 0 H VAL A 44 -13.214 8.957 0.434 1.00 0.72 H new ATOM 0 HA VAL A 44 -11.946 8.019 -1.935 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.435 10.821 -1.258 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -12.561 11.157 -3.436 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -11.308 9.896 -3.526 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -13.026 9.439 -3.450 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -13.773 11.566 -1.338 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -14.310 9.871 -1.263 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -13.433 10.587 0.109 1.00 0.98 H new ATOM 693 N GLN A 45 -10.111 8.902 0.622 1.00 0.66 N ATOM 694 CA GLN A 45 -8.755 8.929 1.166 1.00 0.65 C ATOM 695 C GLN A 45 -8.181 7.521 1.283 1.00 0.57 C ATOM 696 O GLN A 45 -7.016 7.351 1.635 1.00 0.62 O ATOM 697 CB GLN A 45 -8.736 9.594 2.545 1.00 0.74 C ATOM 698 CG GLN A 45 -8.891 11.104 2.501 1.00 1.07 C ATOM 699 CD GLN A 45 -10.308 11.561 2.784 1.00 1.44 C ATOM 700 OE1 GLN A 45 -11.275 10.825 2.568 1.00 1.88 O ATOM 701 NE2 GLN A 45 -10.438 12.787 3.262 1.00 1.94 N ATOM 0 H GLN A 45 -10.845 9.030 1.318 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.140 9.507 0.476 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.538 9.174 3.152 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -7.798 9.349 3.043 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -8.217 11.555 3.230 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -8.587 11.467 1.519 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -9.611 13.361 3.426 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -11.365 13.159 3.467 1.00 1.94 H new ATOM 710 N ASP A 46 -9.002 6.522 0.974 1.00 0.49 N ATOM 711 CA ASP A 46 -8.593 5.118 1.055 1.00 0.42 C ATOM 712 C ASP A 46 -7.335 4.850 0.235 1.00 0.41 C ATOM 713 O ASP A 46 -6.413 4.188 0.705 1.00 0.46 O ATOM 714 CB ASP A 46 -9.729 4.216 0.575 1.00 0.38 C ATOM 715 CG ASP A 46 -9.353 2.748 0.570 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.395 2.122 1.651 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.023 2.220 -0.518 1.00 0.31 O ATOM 0 H ASP A 46 -9.964 6.658 0.662 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.365 4.897 2.098 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.598 4.361 1.217 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.023 4.514 -0.431 1.00 0.38 H new ATOM 722 N LEU A 47 -7.292 5.400 -0.974 1.00 0.46 N ATOM 723 CA LEU A 47 -6.150 5.215 -1.874 1.00 0.54 C ATOM 724 C LEU A 47 -4.829 5.611 -1.206 1.00 0.56 C ATOM 725 O LEU A 47 -3.778 5.043 -1.500 1.00 0.65 O ATOM 726 CB LEU A 47 -6.359 6.019 -3.167 1.00 0.66 C ATOM 727 CG LEU A 47 -6.688 7.504 -2.976 1.00 0.88 C ATOM 728 CD1 LEU A 47 -5.427 8.348 -3.010 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.666 7.976 -4.038 1.00 1.00 C ATOM 0 H LEU A 47 -8.037 5.981 -1.358 1.00 0.46 H new ATOM 0 HA LEU A 47 -6.088 4.154 -2.118 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.456 5.940 -3.773 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.166 5.556 -3.735 1.00 0.66 H new ATOM 0 HG LEU A 47 -7.153 7.622 -1.997 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.688 9.397 -2.872 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -4.756 8.033 -2.211 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -4.930 8.221 -3.972 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.887 9.032 -3.885 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -7.226 7.836 -5.025 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -8.588 7.398 -3.966 1.00 1.00 H new ATOM 741 N ALA A 48 -4.892 6.578 -0.300 1.00 0.58 N ATOM 742 CA ALA A 48 -3.705 7.040 0.404 1.00 0.69 C ATOM 743 C ALA A 48 -3.580 6.352 1.758 1.00 0.67 C ATOM 744 O ALA A 48 -2.484 5.991 2.180 1.00 0.76 O ATOM 745 CB ALA A 48 -3.748 8.554 0.574 1.00 0.83 C ATOM 0 H ALA A 48 -5.753 7.057 -0.036 1.00 0.58 H new ATOM 0 HA ALA A 48 -2.828 6.782 -0.190 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -2.854 8.886 1.102 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -3.788 9.029 -0.406 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -4.632 8.831 1.148 1.00 0.83 H new ATOM 751 N GLN A 49 -4.714 6.154 2.421 1.00 0.60 N ATOM 752 CA GLN A 49 -4.750 5.521 3.735 1.00 0.62 C ATOM 753 C GLN A 49 -4.172 4.110 3.696 1.00 0.59 C ATOM 754 O GLN A 49 -3.461 3.706 4.610 1.00 0.66 O ATOM 755 CB GLN A 49 -6.188 5.487 4.263 1.00 0.62 C ATOM 756 CG GLN A 49 -6.327 4.867 5.645 1.00 0.95 C ATOM 757 CD GLN A 49 -6.225 5.881 6.775 1.00 1.27 C ATOM 758 OE1 GLN A 49 -5.430 6.924 6.586 1.00 1.86 O flip ATOM 759 NE2 GLN A 49 -6.854 5.719 7.820 1.00 1.43 N flip ATOM 0 H GLN A 49 -5.630 6.426 2.065 1.00 0.60 H new ATOM 0 HA GLN A 49 -4.131 6.115 4.408 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.577 6.505 4.292 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.808 4.929 3.562 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -7.288 4.356 5.711 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -5.554 4.110 5.775 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -7.457 4.904 7.931 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -6.772 6.400 8.575 1.00 1.43 H new ATOM 768 N LEU A 50 -4.473 3.370 2.634 1.00 0.52 N ATOM 769 CA LEU A 50 -3.981 2.000 2.490 1.00 0.53 C ATOM 770 C LEU A 50 -2.460 1.945 2.539 1.00 0.65 C ATOM 771 O LEU A 50 -1.879 1.071 3.177 1.00 0.72 O ATOM 772 CB LEU A 50 -4.467 1.393 1.175 1.00 0.46 C ATOM 773 CG LEU A 50 -5.984 1.326 1.005 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.339 0.635 -0.296 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.633 0.620 2.181 1.00 0.40 C ATOM 0 H LEU A 50 -5.054 3.693 1.860 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.376 1.423 3.327 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.051 1.973 0.351 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -4.064 0.384 1.089 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.368 2.345 0.973 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.423 0.595 -0.403 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -5.912 1.190 -1.131 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -5.937 -0.378 -0.291 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.713 0.586 2.034 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -6.245 -0.396 2.255 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.408 1.162 3.100 1.00 0.40 H new ATOM 787 N VAL A 51 -1.822 2.889 1.867 1.00 0.70 N ATOM 788 CA VAL A 51 -0.368 2.941 1.825 1.00 0.84 C ATOM 789 C VAL A 51 0.181 3.593 3.088 1.00 0.90 C ATOM 790 O VAL A 51 1.200 3.167 3.633 1.00 1.01 O ATOM 791 CB VAL A 51 0.125 3.711 0.584 1.00 0.90 C ATOM 792 CG1 VAL A 51 1.581 3.385 0.297 1.00 1.56 C ATOM 793 CG2 VAL A 51 -0.740 3.387 -0.622 1.00 1.37 C ATOM 0 H VAL A 51 -2.287 3.630 1.343 1.00 0.70 H new ATOM 0 HA VAL A 51 -0.002 1.916 1.764 1.00 0.84 H new ATOM 0 HB VAL A 51 0.046 4.779 0.789 1.00 0.90 H new ATOM 0 HG11 VAL A 51 1.911 3.938 -0.582 1.00 1.56 H new ATOM 0 HG12 VAL A 51 2.193 3.667 1.154 1.00 1.56 H new ATOM 0 HG13 VAL A 51 1.685 2.316 0.113 1.00 1.56 H new ATOM 0 HG21 VAL A 51 -0.377 3.939 -1.489 1.00 1.37 H new ATOM 0 HG22 VAL A 51 -0.692 2.318 -0.827 1.00 1.37 H new ATOM 0 HG23 VAL A 51 -1.772 3.671 -0.416 1.00 1.37 H new ATOM 803 N GLU A 52 -0.518 4.611 3.556 1.00 0.86 N ATOM 804 CA GLU A 52 -0.126 5.338 4.754 1.00 0.93 C ATOM 805 C GLU A 52 -0.147 4.424 5.976 1.00 0.95 C ATOM 806 O GLU A 52 0.825 4.355 6.726 1.00 1.07 O ATOM 807 CB GLU A 52 -1.069 6.525 4.954 1.00 0.91 C ATOM 808 CG GLU A 52 -0.903 7.252 6.280 1.00 1.13 C ATOM 809 CD GLU A 52 -1.835 8.440 6.402 1.00 1.17 C ATOM 810 OE1 GLU A 52 -2.969 8.363 5.891 1.00 1.37 O ATOM 811 OE2 GLU A 52 -1.434 9.457 7.008 1.00 1.40 O ATOM 0 H GLU A 52 -1.372 4.958 3.119 1.00 0.86 H new ATOM 0 HA GLU A 52 0.894 5.703 4.631 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.913 7.236 4.143 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -2.097 6.172 4.875 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -1.093 6.558 7.099 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.128 7.590 6.381 1.00 1.13 H new ATOM 818 N GLU A 53 -1.249 3.704 6.144 1.00 0.86 N ATOM 819 CA GLU A 53 -1.421 2.796 7.272 1.00 0.89 C ATOM 820 C GLU A 53 -0.621 1.513 7.087 1.00 0.93 C ATOM 821 O GLU A 53 -0.576 0.671 7.983 1.00 1.01 O ATOM 822 CB GLU A 53 -2.903 2.456 7.451 1.00 0.85 C ATOM 823 CG GLU A 53 -3.709 3.564 8.105 1.00 1.33 C ATOM 824 CD GLU A 53 -3.815 3.392 9.605 1.00 1.45 C ATOM 825 OE1 GLU A 53 -2.838 3.702 10.310 1.00 1.99 O ATOM 826 OE2 GLU A 53 -4.878 2.942 10.083 1.00 1.81 O ATOM 0 H GLU A 53 -2.045 3.732 5.507 1.00 0.86 H new ATOM 0 HA GLU A 53 -1.049 3.302 8.163 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -3.335 2.231 6.476 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.989 1.552 8.054 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -3.246 4.526 7.884 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -4.709 3.585 7.673 1.00 1.33 H new ATOM 833 N ALA A 54 0.007 1.360 5.930 1.00 0.93 N ATOM 834 CA ALA A 54 0.795 0.169 5.644 1.00 1.00 C ATOM 835 C ALA A 54 1.996 0.072 6.574 1.00 1.15 C ATOM 836 O ALA A 54 2.340 -1.012 7.038 1.00 1.28 O ATOM 837 CB ALA A 54 1.245 0.160 4.195 1.00 1.06 C ATOM 0 H ALA A 54 -0.014 2.045 5.174 1.00 0.93 H new ATOM 0 HA ALA A 54 0.161 -0.701 5.816 1.00 1.00 H new ATOM 0 HB1 ALA A 54 1.832 -0.738 4.002 1.00 1.06 H new ATOM 0 HB2 ALA A 54 0.372 0.170 3.543 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.855 1.042 3.998 1.00 1.06 H new ATOM 843 N THR A 55 2.635 1.208 6.834 1.00 1.21 N ATOM 844 CA THR A 55 3.795 1.239 7.712 1.00 1.38 C ATOM 845 C THR A 55 3.979 2.619 8.347 1.00 1.40 C ATOM 846 O THR A 55 5.072 2.964 8.797 1.00 1.55 O ATOM 847 CB THR A 55 5.081 0.851 6.952 1.00 1.60 C ATOM 848 OG1 THR A 55 4.823 0.751 5.542 1.00 1.81 O ATOM 849 CG2 THR A 55 5.631 -0.474 7.459 1.00 1.77 C ATOM 0 H THR A 55 2.369 2.115 6.450 1.00 1.21 H new ATOM 0 HA THR A 55 3.614 0.510 8.501 1.00 1.38 H new ATOM 0 HB THR A 55 5.820 1.633 7.129 1.00 1.60 H new ATOM 0 HG1 THR A 55 5.524 0.213 5.118 1.00 1.81 H new ATOM 0 HG21 THR A 55 6.537 -0.726 6.908 1.00 1.77 H new ATOM 0 HG22 THR A 55 5.863 -0.389 8.521 1.00 1.77 H new ATOM 0 HG23 THR A 55 4.887 -1.257 7.312 1.00 1.77 H new ATOM 857 N GLY A 56 2.904 3.400 8.399 1.00 1.30 N ATOM 858 CA GLY A 56 2.979 4.732 8.983 1.00 1.34 C ATOM 859 C GLY A 56 3.851 5.660 8.165 1.00 1.42 C ATOM 860 O GLY A 56 4.746 6.321 8.693 1.00 1.55 O ATOM 0 H GLY A 56 1.983 3.137 8.048 1.00 1.30 H new ATOM 0 HA2 GLY A 56 1.976 5.151 9.060 1.00 1.34 H new ATOM 0 HA3 GLY A 56 3.374 4.662 9.996 1.00 1.34 H new ATOM 864 N VAL A 57 3.571 5.714 6.876 1.00 1.37 N ATOM 865 CA VAL A 57 4.335 6.532 5.949 1.00 1.46 C ATOM 866 C VAL A 57 3.636 7.862 5.678 1.00 1.37 C ATOM 867 O VAL A 57 2.415 7.900 5.520 1.00 1.26 O ATOM 868 CB VAL A 57 4.526 5.787 4.610 1.00 1.55 C ATOM 869 CG1 VAL A 57 5.623 6.432 3.775 1.00 1.70 C ATOM 870 CG2 VAL A 57 4.825 4.317 4.858 1.00 1.63 C ATOM 0 H VAL A 57 2.809 5.193 6.441 1.00 1.37 H new ATOM 0 HA VAL A 57 5.304 6.728 6.408 1.00 1.46 H new ATOM 0 HB VAL A 57 3.596 5.858 4.046 1.00 1.55 H new ATOM 0 HG11 VAL A 57 5.735 5.886 2.838 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.357 7.467 3.562 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.563 6.405 4.326 1.00 1.70 H new ATOM 0 HG21 VAL A 57 4.957 3.807 3.904 1.00 1.63 H new ATOM 0 HG22 VAL A 57 5.737 4.226 5.448 1.00 1.63 H new ATOM 0 HG23 VAL A 57 3.996 3.863 5.401 1.00 1.63 H new ATOM 880 N PRO A 58 4.393 8.976 5.661 1.00 1.45 N ATOM 881 CA PRO A 58 3.836 10.298 5.369 1.00 1.41 C ATOM 882 C PRO A 58 3.296 10.369 3.944 1.00 1.35 C ATOM 883 O PRO A 58 3.830 9.725 3.037 1.00 1.39 O ATOM 884 CB PRO A 58 5.028 11.255 5.532 1.00 1.56 C ATOM 885 CG PRO A 58 6.052 10.487 6.296 1.00 1.67 C ATOM 886 CD PRO A 58 5.836 9.042 5.950 1.00 1.63 C ATOM 0 HA PRO A 58 3.000 10.542 6.024 1.00 1.41 H new ATOM 0 HB2 PRO A 58 5.415 11.569 4.563 1.00 1.56 H new ATOM 0 HB3 PRO A 58 4.736 12.159 6.066 1.00 1.56 H new ATOM 0 HG2 PRO A 58 7.059 10.806 6.026 1.00 1.67 H new ATOM 0 HG3 PRO A 58 5.942 10.651 7.368 1.00 1.67 H new ATOM 0 HD2 PRO A 58 6.433 8.741 5.089 1.00 1.63 H new ATOM 0 HD3 PRO A 58 6.112 8.385 6.775 1.00 1.63 H new ATOM 894 N LEU A 59 2.248 11.162 3.747 1.00 1.29 N ATOM 895 CA LEU A 59 1.622 11.309 2.432 1.00 1.26 C ATOM 896 C LEU A 59 2.622 11.725 1.339 1.00 1.34 C ATOM 897 O LEU A 59 2.669 11.091 0.288 1.00 1.35 O ATOM 898 CB LEU A 59 0.456 12.305 2.487 1.00 1.25 C ATOM 899 CG LEU A 59 -0.716 11.891 3.378 1.00 1.25 C ATOM 900 CD1 LEU A 59 -1.813 12.943 3.334 1.00 1.27 C ATOM 901 CD2 LEU A 59 -1.258 10.534 2.955 1.00 1.54 C ATOM 0 H LEU A 59 1.811 11.716 4.483 1.00 1.29 H new ATOM 0 HA LEU A 59 1.240 10.324 2.163 1.00 1.26 H new ATOM 0 HB2 LEU A 59 0.836 13.265 2.837 1.00 1.25 H new ATOM 0 HB3 LEU A 59 0.084 12.460 1.474 1.00 1.25 H new ATOM 0 HG LEU A 59 -0.357 11.810 4.404 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -2.640 12.633 3.973 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -1.418 13.896 3.687 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -2.169 13.055 2.310 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -2.091 10.257 3.601 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -1.602 10.585 1.922 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.470 9.785 3.038 1.00 1.54 H new ATOM 913 N PRO A 60 3.453 12.772 1.554 1.00 1.42 N ATOM 914 CA PRO A 60 4.418 13.228 0.547 1.00 1.52 C ATOM 915 C PRO A 60 5.668 12.351 0.475 1.00 1.60 C ATOM 916 O PRO A 60 6.681 12.748 -0.103 1.00 1.79 O ATOM 917 CB PRO A 60 4.789 14.651 1.009 1.00 1.61 C ATOM 918 CG PRO A 60 3.897 14.943 2.172 1.00 1.56 C ATOM 919 CD PRO A 60 3.537 13.612 2.754 1.00 1.46 C ATOM 0 HA PRO A 60 3.990 13.187 -0.455 1.00 1.52 H new ATOM 0 HB2 PRO A 60 5.839 14.708 1.297 1.00 1.61 H new ATOM 0 HB3 PRO A 60 4.638 15.375 0.208 1.00 1.61 H new ATOM 0 HG2 PRO A 60 4.405 15.567 2.907 1.00 1.56 H new ATOM 0 HG3 PRO A 60 3.006 15.485 1.855 1.00 1.56 H new ATOM 0 HD2 PRO A 60 4.293 13.253 3.452 1.00 1.46 H new ATOM 0 HD3 PRO A 60 2.592 13.645 3.297 1.00 1.46 H new ATOM 927 N PHE A 61 5.597 11.161 1.056 1.00 1.55 N ATOM 928 CA PHE A 61 6.732 10.247 1.049 1.00 1.63 C ATOM 929 C PHE A 61 6.393 8.957 0.311 1.00 1.59 C ATOM 930 O PHE A 61 7.229 8.061 0.191 1.00 1.70 O ATOM 931 CB PHE A 61 7.170 9.932 2.482 1.00 1.66 C ATOM 932 CG PHE A 61 8.648 10.076 2.705 1.00 1.80 C ATOM 933 CD1 PHE A 61 9.534 9.149 2.179 1.00 2.00 C ATOM 934 CD2 PHE A 61 9.151 11.138 3.437 1.00 1.95 C ATOM 935 CE1 PHE A 61 10.893 9.279 2.382 1.00 2.25 C ATOM 936 CE2 PHE A 61 10.510 11.274 3.646 1.00 2.23 C ATOM 937 CZ PHE A 61 11.382 10.343 3.115 1.00 2.34 C ATOM 0 H PHE A 61 4.770 10.807 1.536 1.00 1.55 H new ATOM 0 HA PHE A 61 7.554 10.735 0.525 1.00 1.63 H new ATOM 0 HB2 PHE A 61 6.641 10.594 3.168 1.00 1.66 H new ATOM 0 HB3 PHE A 61 6.872 8.913 2.728 1.00 1.66 H new ATOM 0 HD1 PHE A 61 9.157 8.316 1.604 1.00 2.00 H new ATOM 0 HD2 PHE A 61 8.472 11.870 3.850 1.00 1.95 H new ATOM 0 HE1 PHE A 61 11.574 8.550 1.968 1.00 2.25 H new ATOM 0 HE2 PHE A 61 10.889 12.105 4.222 1.00 2.23 H new ATOM 0 HZ PHE A 61 12.445 10.447 3.273 1.00 2.34 H new ATOM 947 N GLN A 62 5.172 8.869 -0.195 1.00 1.47 N ATOM 948 CA GLN A 62 4.743 7.679 -0.912 1.00 1.44 C ATOM 949 C GLN A 62 3.980 8.047 -2.181 1.00 1.40 C ATOM 950 O GLN A 62 2.891 8.618 -2.130 1.00 1.55 O ATOM 951 CB GLN A 62 3.891 6.781 -0.006 1.00 1.38 C ATOM 952 CG GLN A 62 2.680 7.472 0.606 1.00 1.35 C ATOM 953 CD GLN A 62 2.254 6.846 1.917 1.00 1.64 C ATOM 954 OE1 GLN A 62 2.497 5.668 2.168 1.00 2.14 O ATOM 955 NE2 GLN A 62 1.605 7.630 2.758 1.00 1.66 N ATOM 0 H GLN A 62 4.466 9.602 -0.123 1.00 1.47 H new ATOM 0 HA GLN A 62 5.633 7.124 -1.207 1.00 1.44 H new ATOM 0 HB2 GLN A 62 3.550 5.922 -0.584 1.00 1.38 H new ATOM 0 HB3 GLN A 62 4.519 6.396 0.798 1.00 1.38 H new ATOM 0 HG2 GLN A 62 2.910 8.525 0.768 1.00 1.35 H new ATOM 0 HG3 GLN A 62 1.849 7.432 -0.098 1.00 1.35 H new ATOM 0 HE21 GLN A 62 1.423 8.603 2.511 1.00 1.66 H new ATOM 0 HE22 GLN A 62 1.285 7.263 3.654 1.00 1.66 H new ATOM 964 N LYS A 63 4.564 7.725 -3.325 1.00 1.42 N ATOM 965 CA LYS A 63 3.939 8.017 -4.604 1.00 1.38 C ATOM 966 C LYS A 63 2.997 6.884 -4.998 1.00 1.27 C ATOM 967 O LYS A 63 3.371 5.985 -5.754 1.00 1.31 O ATOM 968 CB LYS A 63 5.007 8.226 -5.678 1.00 1.51 C ATOM 969 CG LYS A 63 4.505 8.953 -6.917 1.00 1.64 C ATOM 970 CD LYS A 63 5.618 9.130 -7.937 1.00 1.73 C ATOM 971 CE LYS A 63 5.141 9.886 -9.168 1.00 1.94 C ATOM 972 NZ LYS A 63 4.885 11.319 -8.878 1.00 2.29 N ATOM 0 H LYS A 63 5.470 7.261 -3.393 1.00 1.42 H new ATOM 0 HA LYS A 63 3.358 8.935 -4.512 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.834 8.791 -5.248 1.00 1.51 H new ATOM 0 HB3 LYS A 63 5.404 7.255 -5.975 1.00 1.51 H new ATOM 0 HG2 LYS A 63 3.684 8.392 -7.364 1.00 1.64 H new ATOM 0 HG3 LYS A 63 4.108 9.928 -6.634 1.00 1.64 H new ATOM 0 HD2 LYS A 63 6.448 9.668 -7.479 1.00 1.73 H new ATOM 0 HD3 LYS A 63 5.997 8.152 -8.235 1.00 1.73 H new ATOM 0 HE2 LYS A 63 5.890 9.804 -9.956 1.00 1.94 H new ATOM 0 HE3 LYS A 63 4.229 9.424 -9.546 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 4.661 11.818 -9.763 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 4.083 11.402 -8.221 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 5.731 11.743 -8.447 1.00 2.29 H new ATOM 986 N LEU A 64 1.790 6.919 -4.447 1.00 1.16 N ATOM 987 CA LEU A 64 0.774 5.902 -4.718 1.00 1.06 C ATOM 988 C LEU A 64 0.343 5.936 -6.183 1.00 1.05 C ATOM 989 O LEU A 64 -0.104 6.969 -6.683 1.00 1.06 O ATOM 990 CB LEU A 64 -0.437 6.123 -3.788 1.00 0.98 C ATOM 991 CG LEU A 64 -1.585 5.094 -3.867 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.618 5.501 -4.910 1.00 0.99 C ATOM 993 CD2 LEU A 64 -1.059 3.695 -4.159 1.00 1.06 C ATOM 0 H LEU A 64 1.486 7.648 -3.802 1.00 1.16 H new ATOM 0 HA LEU A 64 1.200 4.918 -4.522 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -0.074 6.146 -2.760 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -0.851 7.108 -4.001 1.00 0.98 H new ATOM 0 HG LEU A 64 -2.071 5.076 -2.891 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -3.414 4.757 -4.943 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.038 6.471 -4.646 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -2.141 5.566 -5.888 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -1.893 2.995 -4.208 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -0.530 3.697 -5.112 1.00 1.06 H new ATOM 0 HD23 LEU A 64 -0.376 3.390 -3.366 1.00 1.06 H new ATOM 1005 N ILE A 65 0.505 4.804 -6.862 1.00 1.07 N ATOM 1006 CA ILE A 65 0.120 4.672 -8.261 1.00 1.08 C ATOM 1007 C ILE A 65 -0.548 3.316 -8.494 1.00 1.05 C ATOM 1008 O ILE A 65 0.108 2.344 -8.874 1.00 1.15 O ATOM 1009 CB ILE A 65 1.327 4.821 -9.220 1.00 1.22 C ATOM 1010 CG1 ILE A 65 2.111 6.100 -8.913 1.00 1.27 C ATOM 1011 CG2 ILE A 65 0.857 4.827 -10.672 1.00 1.42 C ATOM 1012 CD1 ILE A 65 3.347 6.275 -9.765 1.00 1.42 C ATOM 0 H ILE A 65 0.905 3.957 -6.459 1.00 1.07 H new ATOM 0 HA ILE A 65 -0.580 5.479 -8.479 1.00 1.08 H new ATOM 0 HB ILE A 65 1.988 3.967 -9.069 1.00 1.22 H new ATOM 0 HG12 ILE A 65 1.457 6.960 -9.057 1.00 1.27 H new ATOM 0 HG13 ILE A 65 2.403 6.093 -7.863 1.00 1.27 H new ATOM 0 HG21 ILE A 65 1.718 4.932 -11.333 1.00 1.42 H new ATOM 0 HG22 ILE A 65 0.343 3.891 -10.892 1.00 1.42 H new ATOM 0 HG23 ILE A 65 0.174 5.662 -10.830 1.00 1.42 H new ATOM 0 HD11 ILE A 65 3.850 7.202 -9.490 1.00 1.42 H new ATOM 0 HD12 ILE A 65 4.022 5.435 -9.604 1.00 1.42 H new ATOM 0 HD13 ILE A 65 3.062 6.314 -10.816 1.00 1.42 H new ATOM 1024 N PHE A 66 -1.850 3.257 -8.239 1.00 0.93 N ATOM 1025 CA PHE A 66 -2.628 2.034 -8.418 1.00 0.91 C ATOM 1026 C PHE A 66 -4.101 2.330 -8.175 1.00 0.84 C ATOM 1027 O PHE A 66 -4.459 3.467 -7.885 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.156 0.929 -7.468 1.00 0.89 C ATOM 1029 CG PHE A 66 -1.902 -0.396 -8.149 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -2.640 -0.786 -9.262 1.00 1.24 C ATOM 1031 CD2 PHE A 66 -0.920 -1.251 -7.676 1.00 1.20 C ATOM 1032 CE1 PHE A 66 -2.400 -2.001 -9.879 1.00 1.32 C ATOM 1033 CE2 PHE A 66 -0.679 -2.466 -8.290 1.00 1.28 C ATOM 1034 CZ PHE A 66 -1.418 -2.840 -9.394 1.00 1.16 C ATOM 0 H PHE A 66 -2.395 4.051 -7.904 1.00 0.93 H new ATOM 0 HA PHE A 66 -2.484 1.682 -9.440 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.240 1.254 -6.974 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -2.905 0.788 -6.689 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -3.409 -0.133 -9.649 1.00 1.24 H new ATOM 0 HD2 PHE A 66 -0.334 -0.964 -6.815 1.00 1.20 H new ATOM 0 HE1 PHE A 66 -2.982 -2.293 -10.741 1.00 1.32 H new ATOM 0 HE2 PHE A 66 0.088 -3.123 -7.906 1.00 1.28 H new ATOM 0 HZ PHE A 66 -1.228 -3.787 -9.877 1.00 1.16 H new ATOM 1044 N LYS A 67 -4.949 1.307 -8.298 1.00 0.87 N ATOM 1045 CA LYS A 67 -6.395 1.456 -8.108 1.00 0.89 C ATOM 1046 C LYS A 67 -6.971 2.458 -9.108 1.00 0.84 C ATOM 1047 O LYS A 67 -8.080 2.958 -8.926 1.00 0.84 O ATOM 1048 CB LYS A 67 -6.725 1.911 -6.676 1.00 1.00 C ATOM 1049 CG LYS A 67 -6.969 0.769 -5.697 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.676 1.254 -4.436 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.967 0.112 -3.471 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.988 0.483 -2.455 1.00 0.54 N ATOM 0 H LYS A 67 -4.657 0.358 -8.530 1.00 0.87 H new ATOM 0 HA LYS A 67 -6.849 0.479 -8.277 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -5.904 2.524 -6.304 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -7.610 2.546 -6.704 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.570 -0.002 -6.179 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -6.018 0.310 -5.428 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -7.058 2.001 -3.938 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -8.610 1.744 -4.710 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -8.313 -0.756 -4.032 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -7.045 -0.180 -2.968 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -9.179 -0.334 -1.841 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.634 1.273 -1.879 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -9.866 0.770 -2.934 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.212 2.744 -10.165 1.00 0.89 N ATOM 1067 CA GLY A 68 -6.643 3.700 -11.166 1.00 0.93 C ATOM 1068 C GLY A 68 -6.675 5.112 -10.609 1.00 0.94 C ATOM 1069 O GLY A 68 -7.604 5.875 -10.878 1.00 1.05 O ATOM 0 H GLY A 68 -5.299 2.325 -10.344 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -5.970 3.661 -12.022 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -7.635 3.428 -11.528 1.00 0.93 H new ATOM 1073 N LYS A 69 -5.678 5.442 -9.793 1.00 0.89 N ATOM 1074 CA LYS A 69 -5.581 6.758 -9.168 1.00 0.93 C ATOM 1075 C LYS A 69 -4.195 6.962 -8.563 1.00 0.96 C ATOM 1076 O LYS A 69 -3.384 6.034 -8.517 1.00 1.05 O ATOM 1077 CB LYS A 69 -6.647 6.894 -8.074 1.00 0.92 C ATOM 1078 CG LYS A 69 -6.834 5.618 -7.258 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.172 5.574 -6.529 1.00 0.93 C ATOM 1080 CE LYS A 69 -9.338 5.989 -7.412 1.00 1.24 C ATOM 1081 NZ LYS A 69 -9.313 5.331 -8.745 1.00 1.50 N ATOM 0 H LYS A 69 -4.918 4.808 -9.547 1.00 0.89 H new ATOM 0 HA LYS A 69 -5.745 7.518 -9.932 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.370 7.709 -7.405 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -7.597 7.167 -8.533 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -6.757 4.755 -7.919 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -6.026 5.536 -6.531 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -8.345 4.564 -6.157 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -8.129 6.230 -5.660 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -10.274 5.745 -6.909 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -9.320 7.071 -7.545 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -10.287 5.154 -9.063 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -8.832 5.950 -9.429 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -8.802 4.428 -8.677 1.00 1.50 H new ATOM 1095 N SER A 70 -3.936 8.178 -8.110 1.00 0.95 N ATOM 1096 CA SER A 70 -2.666 8.514 -7.495 1.00 1.00 C ATOM 1097 C SER A 70 -2.909 9.089 -6.104 1.00 0.93 C ATOM 1098 O SER A 70 -4.055 9.359 -5.736 1.00 0.89 O ATOM 1099 CB SER A 70 -1.904 9.518 -8.362 1.00 1.17 C ATOM 1100 OG SER A 70 -1.815 9.073 -9.706 1.00 1.46 O ATOM 0 H SER A 70 -4.596 8.954 -8.158 1.00 0.95 H new ATOM 0 HA SER A 70 -2.062 7.611 -7.407 1.00 1.00 H new ATOM 0 HB2 SER A 70 -2.406 10.485 -8.329 1.00 1.17 H new ATOM 0 HB3 SER A 70 -0.902 9.665 -7.958 1.00 1.17 H new ATOM 0 HG SER A 70 -1.325 9.734 -10.238 1.00 1.46 H new ATOM 1106 N LEU A 71 -1.835 9.261 -5.339 1.00 1.01 N ATOM 1107 CA LEU A 71 -1.926 9.798 -3.983 1.00 0.99 C ATOM 1108 C LEU A 71 -2.637 11.151 -3.966 1.00 1.00 C ATOM 1109 O LEU A 71 -2.271 12.073 -4.702 1.00 1.13 O ATOM 1110 CB LEU A 71 -0.532 9.922 -3.350 1.00 1.11 C ATOM 1111 CG LEU A 71 0.387 10.992 -3.952 1.00 1.24 C ATOM 1112 CD1 LEU A 71 1.378 11.486 -2.910 1.00 1.35 C ATOM 1113 CD2 LEU A 71 1.128 10.455 -5.169 1.00 1.28 C ATOM 0 H LEU A 71 -0.886 9.035 -5.636 1.00 1.01 H new ATOM 0 HA LEU A 71 -2.517 9.098 -3.392 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -0.655 10.133 -2.288 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.032 8.956 -3.428 1.00 1.11 H new ATOM 0 HG LEU A 71 -0.234 11.828 -4.273 1.00 1.24 H new ATOM 0 HD11 LEU A 71 2.023 12.245 -3.353 1.00 1.35 H new ATOM 0 HD12 LEU A 71 0.836 11.916 -2.068 1.00 1.35 H new ATOM 0 HD13 LEU A 71 1.986 10.651 -2.562 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.772 11.234 -5.576 1.00 1.28 H new ATOM 0 HD22 LEU A 71 1.735 9.598 -4.877 1.00 1.28 H new ATOM 0 HD23 LEU A 71 0.408 10.147 -5.927 1.00 1.28 H new ATOM 1125 N LYS A 72 -3.660 11.250 -3.123 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.453 12.464 -2.982 1.00 0.99 C ATOM 1127 C LYS A 72 -5.498 12.251 -1.892 1.00 0.95 C ATOM 1128 O LYS A 72 -5.735 11.118 -1.476 1.00 0.92 O ATOM 1129 CB LYS A 72 -5.140 12.797 -4.310 1.00 1.02 C ATOM 1130 CG LYS A 72 -5.458 14.271 -4.498 1.00 1.22 C ATOM 1131 CD LYS A 72 -5.994 14.534 -5.896 1.00 1.29 C ATOM 1132 CE LYS A 72 -6.450 15.973 -6.075 1.00 1.62 C ATOM 1133 NZ LYS A 72 -6.853 16.248 -7.481 1.00 1.90 N ATOM 0 H LYS A 72 -3.962 10.487 -2.517 1.00 0.95 H new ATOM 0 HA LYS A 72 -3.804 13.296 -2.708 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -4.500 12.468 -5.129 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -6.066 12.226 -4.380 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -6.192 14.587 -3.757 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -4.560 14.866 -4.330 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -5.220 14.306 -6.629 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -6.829 13.863 -6.095 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -7.289 16.175 -5.409 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -5.645 16.649 -5.788 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -7.578 16.994 -7.495 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -6.024 16.561 -8.025 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -7.240 15.382 -7.907 1.00 1.90 H new ATOM 1147 N GLU A 73 -6.103 13.327 -1.416 1.00 1.00 N ATOM 1148 CA GLU A 73 -7.131 13.219 -0.390 1.00 1.01 C ATOM 1149 C GLU A 73 -8.413 12.680 -1.008 1.00 0.98 C ATOM 1150 O GLU A 73 -9.033 11.759 -0.486 1.00 1.01 O ATOM 1151 CB GLU A 73 -7.395 14.574 0.272 1.00 1.14 C ATOM 1152 CG GLU A 73 -6.128 15.333 0.629 1.00 1.33 C ATOM 1153 CD GLU A 73 -5.737 16.342 -0.433 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -5.708 15.977 -1.628 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -5.465 17.506 -0.081 1.00 1.98 O ATOM 0 H GLU A 73 -5.903 14.280 -1.720 1.00 1.00 H new ATOM 0 HA GLU A 73 -6.780 12.532 0.380 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -7.998 15.186 -0.399 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -7.983 14.419 1.177 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -6.272 15.848 1.579 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -5.312 14.625 0.771 1.00 1.33 H new ATOM 1162 N MET A 74 -8.800 13.260 -2.130 1.00 1.01 N ATOM 1163 CA MET A 74 -9.997 12.835 -2.833 1.00 1.03 C ATOM 1164 C MET A 74 -9.796 12.980 -4.334 1.00 1.05 C ATOM 1165 O MET A 74 -10.008 14.051 -4.901 1.00 1.16 O ATOM 1166 CB MET A 74 -11.224 13.634 -2.366 1.00 1.15 C ATOM 1167 CG MET A 74 -10.942 15.104 -2.097 1.00 1.26 C ATOM 1168 SD MET A 74 -12.353 15.964 -1.371 1.00 1.65 S ATOM 1169 CE MET A 74 -11.735 17.647 -1.335 1.00 1.77 C ATOM 0 H MET A 74 -8.300 14.030 -2.575 1.00 1.01 H new ATOM 0 HA MET A 74 -10.180 11.785 -2.603 1.00 1.03 H new ATOM 0 HB2 MET A 74 -12.004 13.557 -3.124 1.00 1.15 H new ATOM 0 HB3 MET A 74 -11.617 13.178 -1.457 1.00 1.15 H new ATOM 0 HG2 MET A 74 -10.086 15.189 -1.427 1.00 1.26 H new ATOM 0 HG3 MET A 74 -10.665 15.593 -3.031 1.00 1.26 H new ATOM 0 HE1 MET A 74 -12.494 18.304 -0.911 1.00 1.77 H new ATOM 0 HE2 MET A 74 -10.834 17.691 -0.723 1.00 1.77 H new ATOM 0 HE3 MET A 74 -11.501 17.970 -2.349 1.00 1.77 H new ATOM 1179 N GLU A 75 -9.369 11.901 -4.973 1.00 1.07 N ATOM 1180 CA GLU A 75 -9.126 11.917 -6.408 1.00 1.14 C ATOM 1181 C GLU A 75 -10.350 11.405 -7.179 1.00 1.13 C ATOM 1182 O GLU A 75 -11.272 12.170 -7.465 1.00 1.31 O ATOM 1183 CB GLU A 75 -7.873 11.097 -6.752 1.00 1.16 C ATOM 1184 CG GLU A 75 -7.401 11.260 -8.191 1.00 1.28 C ATOM 1185 CD GLU A 75 -7.054 12.694 -8.538 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -7.973 13.541 -8.592 1.00 1.65 O ATOM 1187 OE2 GLU A 75 -5.864 12.986 -8.764 1.00 1.89 O ATOM 0 H GLU A 75 -9.184 11.005 -4.522 1.00 1.07 H new ATOM 0 HA GLU A 75 -8.951 12.949 -6.713 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -7.065 11.388 -6.080 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -8.079 10.043 -6.565 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -6.527 10.630 -8.355 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -8.180 10.906 -8.866 1.00 1.28 H new ATOM 1194 N THR A 76 -10.366 10.116 -7.495 1.00 1.06 N ATOM 1195 CA THR A 76 -11.472 9.516 -8.235 1.00 1.09 C ATOM 1196 C THR A 76 -12.564 9.033 -7.277 1.00 1.04 C ATOM 1197 O THR A 76 -12.262 8.632 -6.154 1.00 0.98 O ATOM 1198 CB THR A 76 -10.961 8.332 -9.086 1.00 1.13 C ATOM 1199 OG1 THR A 76 -9.536 8.418 -9.219 1.00 1.07 O ATOM 1200 CG2 THR A 76 -11.590 8.316 -10.470 1.00 1.29 C ATOM 0 H THR A 76 -9.622 9.462 -7.250 1.00 1.06 H new ATOM 0 HA THR A 76 -11.896 10.274 -8.893 1.00 1.09 H new ATOM 0 HB THR A 76 -11.243 7.411 -8.575 1.00 1.13 H new ATOM 0 HG1 THR A 76 -9.235 7.799 -9.917 1.00 1.07 H new ATOM 0 HG21 THR A 76 -11.204 7.468 -11.035 1.00 1.29 H new ATOM 0 HG22 THR A 76 -12.672 8.227 -10.377 1.00 1.29 H new ATOM 0 HG23 THR A 76 -11.346 9.241 -10.991 1.00 1.29 H new ATOM 1208 N PRO A 77 -13.846 9.097 -7.701 1.00 1.12 N ATOM 1209 CA PRO A 77 -15.001 8.662 -6.895 1.00 1.14 C ATOM 1210 C PRO A 77 -14.841 7.274 -6.264 1.00 1.01 C ATOM 1211 O PRO A 77 -14.028 6.456 -6.704 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.166 8.649 -7.900 1.00 1.26 C ATOM 1213 CG PRO A 77 -15.546 8.865 -9.240 1.00 1.36 C ATOM 1214 CD PRO A 77 -14.292 9.643 -8.987 1.00 1.24 C ATOM 0 HA PRO A 77 -15.142 9.329 -6.045 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -16.703 7.701 -7.865 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -16.888 9.433 -7.672 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -15.326 7.915 -9.727 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -16.220 9.412 -9.899 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -13.552 9.491 -9.773 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -14.482 10.715 -8.931 1.00 1.24 H new ATOM 1222 N LEU A 78 -15.671 7.017 -5.257 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.659 5.757 -4.504 1.00 0.97 C ATOM 1224 C LEU A 78 -15.838 4.538 -5.407 1.00 0.95 C ATOM 1225 O LEU A 78 -15.270 3.478 -5.149 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.767 5.767 -3.446 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.454 6.526 -2.149 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -16.267 8.016 -2.404 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -17.563 6.298 -1.138 1.00 1.22 C ATOM 0 H LEU A 78 -16.377 7.679 -4.935 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.682 5.680 -4.028 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.662 6.202 -3.891 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -17.007 4.735 -3.190 1.00 1.07 H new ATOM 0 HG LEU A 78 -15.516 6.141 -1.749 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -16.047 8.521 -1.464 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -15.440 8.165 -3.098 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -17.180 8.429 -2.833 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -17.335 6.839 -0.220 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -18.507 6.658 -1.546 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -17.644 5.233 -0.921 1.00 1.22 H new ATOM 1241 N SER A 79 -16.613 4.696 -6.470 1.00 1.07 N ATOM 1242 CA SER A 79 -16.871 3.607 -7.406 1.00 1.12 C ATOM 1243 C SER A 79 -15.584 3.155 -8.104 1.00 1.00 C ATOM 1244 O SER A 79 -15.514 2.062 -8.672 1.00 1.04 O ATOM 1245 CB SER A 79 -17.896 4.067 -8.437 1.00 1.31 C ATOM 1246 OG SER A 79 -18.148 5.460 -8.304 1.00 1.68 O ATOM 0 H SER A 79 -17.077 5.572 -6.708 1.00 1.07 H new ATOM 0 HA SER A 79 -17.261 2.754 -6.851 1.00 1.12 H new ATOM 0 HB2 SER A 79 -17.531 3.852 -9.441 1.00 1.31 H new ATOM 0 HB3 SER A 79 -18.824 3.510 -8.309 1.00 1.31 H new ATOM 0 HG SER A 79 -18.786 5.609 -7.575 1.00 1.68 H new ATOM 1252 N ALA A 80 -14.563 3.998 -8.050 1.00 0.93 N ATOM 1253 CA ALA A 80 -13.288 3.691 -8.668 1.00 0.88 C ATOM 1254 C ALA A 80 -12.211 3.477 -7.610 1.00 0.74 C ATOM 1255 O ALA A 80 -11.028 3.372 -7.927 1.00 0.81 O ATOM 1256 CB ALA A 80 -12.884 4.805 -9.622 1.00 1.02 C ATOM 0 H ALA A 80 -14.597 4.903 -7.581 1.00 0.93 H new ATOM 0 HA ALA A 80 -13.394 2.766 -9.235 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -11.925 4.562 -10.079 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -13.641 4.910 -10.400 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -12.797 5.742 -9.071 1.00 1.02 H new ATOM 1262 N LEU A 81 -12.623 3.388 -6.353 1.00 0.66 N ATOM 1263 CA LEU A 81 -11.685 3.192 -5.251 1.00 0.55 C ATOM 1264 C LEU A 81 -11.358 1.712 -5.069 1.00 0.52 C ATOM 1265 O LEU A 81 -11.077 1.260 -3.959 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.262 3.763 -3.952 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.439 4.876 -3.290 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -9.986 4.457 -3.125 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -11.534 6.165 -4.093 1.00 0.75 C ATOM 0 H LEU A 81 -13.601 3.448 -6.069 1.00 0.66 H new ATOM 0 HA LEU A 81 -10.764 3.721 -5.494 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.260 4.149 -4.158 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.377 2.948 -3.238 1.00 0.59 H new ATOM 0 HG LEU A 81 -11.854 5.055 -2.298 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.426 5.264 -2.653 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -9.933 3.565 -2.500 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.556 4.240 -4.103 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -10.943 6.941 -3.606 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.152 5.996 -5.100 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -12.575 6.483 -4.149 1.00 0.75 H new ATOM 1281 N GLY A 82 -11.380 0.963 -6.163 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.089 -0.452 -6.094 1.00 0.62 C ATOM 1283 C GLY A 82 -12.313 -1.262 -5.736 1.00 0.63 C ATOM 1284 O GLY A 82 -12.482 -1.666 -4.588 1.00 0.64 O ATOM 0 H GLY A 82 -11.595 1.312 -7.097 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -10.698 -0.790 -7.054 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -10.309 -0.626 -5.353 1.00 0.62 H new ATOM 1288 N MET A 83 -13.170 -1.493 -6.721 1.00 0.84 N ATOM 1289 CA MET A 83 -14.396 -2.262 -6.518 1.00 1.01 C ATOM 1290 C MET A 83 -14.092 -3.759 -6.425 1.00 0.98 C ATOM 1291 O MET A 83 -14.575 -4.564 -7.221 1.00 1.26 O ATOM 1292 CB MET A 83 -15.387 -1.984 -7.653 1.00 1.34 C ATOM 1293 CG MET A 83 -14.797 -2.169 -9.047 1.00 1.54 C ATOM 1294 SD MET A 83 -15.915 -1.633 -10.356 1.00 2.03 S ATOM 1295 CE MET A 83 -17.226 -2.846 -10.198 1.00 2.27 C ATOM 0 H MET A 83 -13.040 -1.158 -7.675 1.00 0.84 H new ATOM 0 HA MET A 83 -14.846 -1.951 -5.575 1.00 1.01 H new ATOM 0 HB2 MET A 83 -16.246 -2.645 -7.542 1.00 1.34 H new ATOM 0 HB3 MET A 83 -15.756 -0.963 -7.558 1.00 1.34 H new ATOM 0 HG2 MET A 83 -13.865 -1.608 -9.119 1.00 1.54 H new ATOM 0 HG3 MET A 83 -14.549 -3.220 -9.195 1.00 1.54 H new ATOM 0 HE1 MET A 83 -17.885 -2.785 -11.064 1.00 2.27 H new ATOM 0 HE2 MET A 83 -16.793 -3.845 -10.141 1.00 2.27 H new ATOM 0 HE3 MET A 83 -17.799 -2.647 -9.292 1.00 2.27 H new ATOM 1305 N GLN A 84 -13.282 -4.114 -5.441 1.00 0.89 N ATOM 1306 CA GLN A 84 -12.887 -5.495 -5.214 1.00 0.89 C ATOM 1307 C GLN A 84 -12.580 -5.688 -3.737 1.00 0.84 C ATOM 1308 O GLN A 84 -12.706 -4.749 -2.952 1.00 1.06 O ATOM 1309 CB GLN A 84 -11.669 -5.869 -6.069 1.00 0.92 C ATOM 1310 CG GLN A 84 -10.901 -4.679 -6.614 1.00 0.99 C ATOM 1311 CD GLN A 84 -10.110 -5.020 -7.861 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -8.926 -5.359 -7.793 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -10.761 -4.932 -9.010 1.00 1.38 N ATOM 0 H GLN A 84 -12.880 -3.453 -4.777 1.00 0.89 H new ATOM 0 HA GLN A 84 -13.707 -6.151 -5.506 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -10.993 -6.480 -5.471 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -12.001 -6.486 -6.904 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.599 -3.873 -6.840 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.222 -4.307 -5.847 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -11.740 -4.648 -9.021 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -10.283 -5.149 -9.885 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.168 -6.888 -3.355 1.00 0.74 N ATOM 1323 CA ASN A 85 -11.870 -7.156 -1.956 1.00 0.78 C ATOM 1324 C ASN A 85 -10.499 -6.620 -1.554 1.00 0.72 C ATOM 1325 O ASN A 85 -9.555 -7.372 -1.324 1.00 0.98 O ATOM 1326 CB ASN A 85 -12.005 -8.651 -1.619 1.00 0.91 C ATOM 1327 CG ASN A 85 -11.159 -9.571 -2.481 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -11.547 -9.925 -3.590 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -10.024 -10.006 -1.955 1.00 1.09 N ATOM 0 H ASN A 85 -12.034 -7.680 -3.983 1.00 0.74 H new ATOM 0 HA ASN A 85 -12.615 -6.620 -1.368 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -11.732 -8.801 -0.574 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -13.051 -8.940 -1.720 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -9.438 -10.659 -2.475 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -9.736 -9.688 -1.030 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.402 -5.302 -1.485 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.166 -4.666 -1.089 1.00 0.57 C ATOM 1338 C GLY A 86 -8.356 -4.150 -2.255 1.00 0.51 C ATOM 1339 O GLY A 86 -7.882 -3.014 -2.223 1.00 0.49 O ATOM 0 H GLY A 86 -11.164 -4.658 -1.698 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.391 -3.837 -0.418 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -8.564 -5.378 -0.525 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.205 -4.985 -3.283 1.00 0.59 N ATOM 1344 CA CYS A 87 -7.432 -4.633 -4.474 1.00 0.62 C ATOM 1345 C CYS A 87 -5.940 -4.607 -4.136 1.00 0.65 C ATOM 1346 O CYS A 87 -5.502 -5.222 -3.158 1.00 0.68 O ATOM 1347 CB CYS A 87 -7.881 -3.278 -5.048 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.409 -3.005 -6.774 1.00 0.79 S ATOM 0 H CYS A 87 -8.613 -5.920 -3.314 1.00 0.59 H new ATOM 0 HA CYS A 87 -7.611 -5.390 -5.237 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -8.965 -3.203 -4.964 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -7.458 -2.480 -4.438 1.00 0.62 H new ATOM 0 HG CYS A 87 -7.780 -4.023 -7.492 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.159 -3.912 -4.949 1.00 0.69 N ATOM 1355 CA ARG A 88 -3.722 -3.808 -4.737 1.00 0.77 C ATOM 1356 C ARG A 88 -3.274 -2.370 -4.931 1.00 0.75 C ATOM 1357 O ARG A 88 -3.816 -1.661 -5.778 1.00 0.72 O ATOM 1358 CB ARG A 88 -2.957 -4.721 -5.706 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.261 -6.198 -5.524 1.00 1.03 C ATOM 1360 CD ARG A 88 -4.295 -6.685 -6.528 1.00 1.11 C ATOM 1361 NE ARG A 88 -3.755 -6.749 -7.883 1.00 1.27 N ATOM 1362 CZ ARG A 88 -4.492 -6.640 -8.988 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -5.802 -6.431 -8.908 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -3.915 -6.741 -10.176 1.00 1.74 N ATOM 0 H ARG A 88 -5.499 -3.408 -5.768 1.00 0.69 H new ATOM 0 HA ARG A 88 -3.504 -4.125 -3.717 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.198 -4.433 -6.729 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -1.887 -4.561 -5.574 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -2.343 -6.775 -5.637 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -3.625 -6.373 -4.512 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -4.650 -7.672 -6.232 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.157 -6.018 -6.513 1.00 1.11 H new ATOM 0 HE ARG A 88 -2.750 -6.886 -7.991 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -6.251 -6.353 -7.996 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -6.358 -6.349 -9.759 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -2.910 -6.902 -10.243 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -4.476 -6.658 -11.024 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.303 -1.944 -4.138 1.00 0.78 N ATOM 1379 CA VAL A 89 -1.772 -0.591 -4.231 1.00 0.79 C ATOM 1380 C VAL A 89 -0.254 -0.604 -4.117 1.00 0.92 C ATOM 1381 O VAL A 89 0.312 -1.278 -3.253 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.362 0.358 -3.160 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.785 0.756 -3.518 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.318 -0.279 -1.781 1.00 0.69 C ATOM 0 H VAL A 89 -1.864 -2.519 -3.419 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.068 -0.209 -5.208 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.748 1.258 -3.137 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.180 1.423 -2.752 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -3.789 1.267 -4.481 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.408 -0.136 -3.579 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.739 0.410 -1.048 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -2.899 -1.201 -1.787 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.285 -0.503 -1.517 1.00 0.69 H new ATOM 1394 N MET A 90 0.400 0.123 -5.005 1.00 0.97 N ATOM 1395 CA MET A 90 1.850 0.198 -5.010 1.00 1.10 C ATOM 1396 C MET A 90 2.284 1.653 -5.002 1.00 1.14 C ATOM 1397 O MET A 90 1.576 2.523 -5.517 1.00 1.13 O ATOM 1398 CB MET A 90 2.434 -0.526 -6.232 1.00 1.21 C ATOM 1399 CG MET A 90 2.406 0.300 -7.512 1.00 1.49 C ATOM 1400 SD MET A 90 3.361 -0.443 -8.846 1.00 1.66 S ATOM 1401 CE MET A 90 3.332 0.882 -10.052 1.00 2.09 C ATOM 0 H MET A 90 -0.053 0.672 -5.735 1.00 0.97 H new ATOM 0 HA MET A 90 2.228 -0.297 -4.115 1.00 1.10 H new ATOM 0 HB2 MET A 90 3.464 -0.808 -6.016 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.878 -1.449 -6.395 1.00 1.21 H new ATOM 0 HG2 MET A 90 1.373 0.423 -7.836 1.00 1.49 H new ATOM 0 HG3 MET A 90 2.796 1.296 -7.304 1.00 1.49 H new ATOM 0 HE1 MET A 90 3.884 0.577 -10.941 1.00 2.09 H new ATOM 0 HE2 MET A 90 2.300 1.104 -10.324 1.00 2.09 H new ATOM 0 HE3 MET A 90 3.795 1.772 -9.626 1.00 2.09 H new ATOM 1411 N LEU A 91 3.433 1.923 -4.416 1.00 1.21 N ATOM 1412 CA LEU A 91 3.939 3.282 -4.351 1.00 1.27 C ATOM 1413 C LEU A 91 5.417 3.338 -4.713 1.00 1.41 C ATOM 1414 O LEU A 91 6.182 2.415 -4.419 1.00 1.47 O ATOM 1415 CB LEU A 91 3.669 3.913 -2.961 1.00 1.22 C ATOM 1416 CG LEU A 91 4.507 3.430 -1.747 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.641 1.917 -1.696 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.880 4.091 -1.714 1.00 1.42 C ATOM 0 H LEU A 91 4.033 1.223 -3.979 1.00 1.21 H new ATOM 0 HA LEU A 91 3.400 3.875 -5.090 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.812 4.990 -3.054 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.618 3.750 -2.723 1.00 1.22 H new ATOM 0 HG LEU A 91 3.957 3.737 -0.857 1.00 1.27 H new ATOM 0 HD11 LEU A 91 5.236 1.633 -0.828 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.651 1.466 -1.620 1.00 1.25 H new ATOM 0 HD13 LEU A 91 5.132 1.564 -2.603 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.438 3.728 -0.851 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.424 3.846 -2.626 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.762 5.172 -1.642 1.00 1.42 H new ATOM 1430 N ILE A 92 5.805 4.414 -5.373 1.00 1.50 N ATOM 1431 CA ILE A 92 7.190 4.608 -5.749 1.00 1.65 C ATOM 1432 C ILE A 92 7.880 5.437 -4.674 1.00 1.71 C ATOM 1433 O ILE A 92 7.358 6.467 -4.241 1.00 1.89 O ATOM 1434 CB ILE A 92 7.324 5.301 -7.124 1.00 1.74 C ATOM 1435 CG1 ILE A 92 6.566 4.504 -8.192 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.789 5.455 -7.509 1.00 1.96 C ATOM 1437 CD1 ILE A 92 6.674 5.087 -9.588 1.00 1.79 C ATOM 0 H ILE A 92 5.179 5.166 -5.659 1.00 1.50 H new ATOM 0 HA ILE A 92 7.664 3.630 -5.835 1.00 1.65 H new ATOM 0 HB ILE A 92 6.886 6.297 -7.055 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.945 3.482 -8.206 1.00 1.66 H new ATOM 0 HG13 ILE A 92 5.514 4.450 -7.912 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.860 5.945 -8.480 1.00 1.96 H new ATOM 0 HG22 ILE A 92 9.301 6.059 -6.759 1.00 1.96 H new ATOM 0 HG23 ILE A 92 9.256 4.472 -7.564 1.00 1.96 H new ATOM 0 HD11 ILE A 92 6.111 4.467 -10.286 1.00 1.79 H new ATOM 0 HD12 ILE A 92 6.267 6.098 -9.592 1.00 1.79 H new ATOM 0 HD13 ILE A 92 7.721 5.115 -9.890 1.00 1.79 H new ATOM 1449 N GLY A 93 9.029 4.966 -4.226 1.00 1.73 N ATOM 1450 CA GLY A 93 9.765 5.655 -3.194 1.00 1.80 C ATOM 1451 C GLY A 93 10.170 4.700 -2.097 1.00 1.84 C ATOM 1452 O GLY A 93 10.769 3.658 -2.374 1.00 1.89 O ATOM 0 H GLY A 93 9.469 4.110 -4.563 1.00 1.73 H new ATOM 0 HA2 GLY A 93 10.652 6.121 -3.623 1.00 1.80 H new ATOM 0 HA3 GLY A 93 9.154 6.456 -2.778 1.00 1.80 H new ATOM 1456 N GLU A 94 9.816 5.018 -0.861 1.00 1.88 N ATOM 1457 CA GLU A 94 10.155 4.161 0.264 1.00 1.97 C ATOM 1458 C GLU A 94 9.202 4.384 1.429 1.00 1.80 C ATOM 1459 O GLU A 94 8.946 5.520 1.827 1.00 1.84 O ATOM 1460 CB GLU A 94 11.591 4.416 0.721 1.00 2.22 C ATOM 1461 CG GLU A 94 12.110 3.357 1.676 1.00 2.66 C ATOM 1462 CD GLU A 94 13.329 3.815 2.441 1.00 2.63 C ATOM 1463 OE1 GLU A 94 14.381 4.020 1.810 1.00 3.03 O ATOM 1464 OE2 GLU A 94 13.230 3.980 3.677 1.00 2.85 O ATOM 0 H GLU A 94 9.296 5.860 -0.612 1.00 1.88 H new ATOM 0 HA GLU A 94 10.063 3.127 -0.069 1.00 1.97 H new ATOM 0 HB2 GLU A 94 12.242 4.459 -0.153 1.00 2.22 H new ATOM 0 HB3 GLU A 94 11.644 5.391 1.206 1.00 2.22 H new ATOM 0 HG2 GLU A 94 11.322 3.090 2.380 1.00 2.66 H new ATOM 0 HG3 GLU A 94 12.355 2.455 1.115 1.00 2.66 H new ATOM 1471 N LYS A 95 8.675 3.294 1.965 1.00 1.82 N ATOM 1472 CA LYS A 95 7.765 3.361 3.096 1.00 1.72 C ATOM 1473 C LYS A 95 8.565 3.546 4.377 1.00 1.77 C ATOM 1474 O LYS A 95 8.993 2.569 4.991 1.00 1.96 O ATOM 1475 CB LYS A 95 6.921 2.086 3.182 1.00 1.81 C ATOM 1476 CG LYS A 95 6.022 1.857 1.975 1.00 1.79 C ATOM 1477 CD LYS A 95 4.592 1.546 2.392 1.00 2.06 C ATOM 1478 CE LYS A 95 3.994 0.423 1.562 1.00 2.15 C ATOM 1479 NZ LYS A 95 4.185 -0.903 2.207 1.00 2.38 N ATOM 0 H LYS A 95 8.864 2.348 1.632 1.00 1.82 H new ATOM 0 HA LYS A 95 7.093 4.208 2.962 1.00 1.72 H new ATOM 0 HB2 LYS A 95 7.586 1.229 3.295 1.00 1.81 H new ATOM 0 HB3 LYS A 95 6.303 2.131 4.079 1.00 1.81 H new ATOM 0 HG2 LYS A 95 6.032 2.743 1.340 1.00 1.79 H new ATOM 0 HG3 LYS A 95 6.415 1.033 1.379 1.00 1.79 H new ATOM 0 HD2 LYS A 95 4.573 1.269 3.446 1.00 2.06 H new ATOM 0 HD3 LYS A 95 3.980 2.442 2.287 1.00 2.06 H new ATOM 0 HE2 LYS A 95 2.929 0.606 1.416 1.00 2.15 H new ATOM 0 HE3 LYS A 95 4.455 0.416 0.574 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 3.511 -1.585 1.804 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 5.156 -1.235 2.038 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 4.022 -0.818 3.231 1.00 2.38 H new ATOM 1493 N SER A 96 8.799 4.797 4.743 1.00 1.80 N ATOM 1494 CA SER A 96 9.568 5.132 5.935 1.00 1.92 C ATOM 1495 C SER A 96 8.985 4.490 7.197 1.00 1.83 C ATOM 1496 O SER A 96 7.840 4.751 7.570 1.00 1.95 O ATOM 1497 CB SER A 96 9.621 6.648 6.092 1.00 2.15 C ATOM 1498 OG SER A 96 9.973 7.273 4.868 1.00 2.38 O ATOM 0 H SER A 96 8.463 5.608 4.224 1.00 1.80 H new ATOM 0 HA SER A 96 10.575 4.734 5.809 1.00 1.92 H new ATOM 0 HB2 SER A 96 8.652 7.017 6.427 1.00 2.15 H new ATOM 0 HB3 SER A 96 10.346 6.913 6.862 1.00 2.15 H new ATOM 0 HG SER A 96 9.999 8.245 4.993 1.00 2.38 H new ATOM 1504 N ASN A 97 9.792 3.653 7.844 1.00 1.89 N ATOM 1505 CA ASN A 97 9.394 2.965 9.069 1.00 1.93 C ATOM 1506 C ASN A 97 10.621 2.322 9.705 1.00 2.29 C ATOM 1507 O ASN A 97 10.540 1.158 10.151 1.00 2.53 O ATOM 1508 CB ASN A 97 8.330 1.899 8.780 1.00 1.89 C ATOM 1509 CG ASN A 97 7.577 1.466 10.030 1.00 2.00 C ATOM 1510 OD1 ASN A 97 7.243 0.292 10.192 1.00 2.24 O ATOM 1511 ND2 ASN A 97 7.292 2.410 10.914 1.00 1.96 N ATOM 1512 OXT ASN A 97 11.676 2.985 9.734 1.00 2.61 O ATOM 0 H ASN A 97 10.739 3.433 7.534 1.00 1.89 H new ATOM 0 HA ASN A 97 8.962 3.692 9.756 1.00 1.93 H new ATOM 0 HB2 ASN A 97 7.620 2.289 8.050 1.00 1.89 H new ATOM 0 HB3 ASN A 97 8.807 1.029 8.328 1.00 1.89 H new ATOM 0 HD21 ASN A 97 6.779 2.175 11.764 1.00 1.96 H new ATOM 0 HD22 ASN A 97 7.585 3.372 10.745 1.00 1.96 H new ATOM 1609 N ARG B 189 16.081 -0.858 4.315 1.00 2.02 N ATOM 1610 CA ARG B 189 15.399 -1.509 3.194 1.00 1.77 C ATOM 1611 C ARG B 189 15.548 -0.660 1.923 1.00 1.33 C ATOM 1612 O ARG B 189 14.703 -0.684 1.027 1.00 1.67 O ATOM 1613 CB ARG B 189 13.917 -1.732 3.548 1.00 2.37 C ATOM 1614 CG ARG B 189 13.155 -2.602 2.561 1.00 3.12 C ATOM 1615 CD ARG B 189 11.680 -2.673 2.911 1.00 3.82 C ATOM 1616 NE ARG B 189 11.366 -3.839 3.730 1.00 4.33 N ATOM 1617 CZ ARG B 189 10.422 -3.865 4.666 1.00 4.83 C ATOM 1618 NH1 ARG B 189 9.677 -2.791 4.901 1.00 4.91 N ATOM 1619 NH2 ARG B 189 10.210 -4.975 5.355 1.00 5.48 N ATOM 0 HA ARG B 189 15.855 -2.481 3.003 1.00 1.77 H new ATOM 0 HB2 ARG B 189 13.858 -2.189 4.536 1.00 2.37 H new ATOM 0 HB3 ARG B 189 13.423 -0.763 3.615 1.00 2.37 H new ATOM 0 HG2 ARG B 189 13.273 -2.202 1.554 1.00 3.12 H new ATOM 0 HG3 ARG B 189 13.578 -3.606 2.556 1.00 3.12 H new ATOM 0 HD2 ARG B 189 11.390 -1.767 3.444 1.00 3.82 H new ATOM 0 HD3 ARG B 189 11.091 -2.705 1.994 1.00 3.82 H new ATOM 0 HE ARG B 189 11.906 -4.690 3.574 1.00 4.33 H new ATOM 0 HH11 ARG B 189 9.827 -1.938 4.362 1.00 4.91 H new ATOM 0 HH12 ARG B 189 8.955 -2.819 5.621 1.00 4.91 H new ATOM 0 HH21 ARG B 189 10.770 -5.807 5.167 1.00 5.48 H new ATOM 0 HH22 ARG B 189 9.487 -4.999 6.074 1.00 5.48 H new ATOM 1633 N GLY B 190 16.645 0.087 1.853 1.00 1.17 N ATOM 1634 CA GLY B 190 16.890 0.937 0.708 1.00 1.54 C ATOM 1635 C GLY B 190 18.107 0.505 -0.086 1.00 1.70 C ATOM 1636 O GLY B 190 19.248 0.732 0.331 1.00 1.97 O ATOM 0 H GLY B 190 17.368 0.117 2.571 1.00 1.17 H new ATOM 0 HA2 GLY B 190 16.015 0.928 0.059 1.00 1.54 H new ATOM 0 HA3 GLY B 190 17.026 1.965 1.045 1.00 1.54 H new ATOM 1640 N GLY B 191 17.866 -0.135 -1.223 1.00 1.91 N ATOM 1641 CA GLY B 191 18.954 -0.584 -2.072 1.00 2.36 C ATOM 1642 C GLY B 191 19.443 -1.964 -1.693 1.00 2.17 C ATOM 1643 O GLY B 191 19.278 -2.919 -2.452 1.00 2.71 O ATOM 0 H GLY B 191 16.933 -0.352 -1.574 1.00 1.91 H new ATOM 0 HA2 GLY B 191 18.623 -0.590 -3.111 1.00 2.36 H new ATOM 0 HA3 GLY B 191 19.780 0.123 -2.005 1.00 2.36 H new ATOM 1647 N TYR B 192 20.046 -2.065 -0.518 1.00 1.71 N ATOM 1648 CA TYR B 192 20.559 -3.333 -0.025 1.00 1.86 C ATOM 1649 C TYR B 192 19.972 -3.627 1.350 1.00 1.87 C ATOM 1650 O TYR B 192 18.820 -4.026 1.465 1.00 2.21 O ATOM 1651 CB TYR B 192 22.094 -3.309 0.034 1.00 1.91 C ATOM 1652 CG TYR B 192 22.769 -3.890 -1.195 1.00 2.45 C ATOM 1653 CD1 TYR B 192 22.177 -3.802 -2.447 1.00 2.95 C ATOM 1654 CD2 TYR B 192 23.998 -4.529 -1.096 1.00 2.80 C ATOM 1655 CE1 TYR B 192 22.786 -4.334 -3.565 1.00 3.62 C ATOM 1656 CE2 TYR B 192 24.615 -5.062 -2.211 1.00 3.41 C ATOM 1657 CZ TYR B 192 24.005 -4.962 -3.441 1.00 3.77 C ATOM 1658 OH TYR B 192 24.614 -5.498 -4.556 1.00 4.48 O ATOM 0 H TYR B 192 20.192 -1.278 0.115 1.00 1.71 H new ATOM 0 HA TYR B 192 20.261 -4.126 -0.711 1.00 1.86 H new ATOM 0 HB2 TYR B 192 22.426 -2.279 0.165 1.00 1.91 H new ATOM 0 HB3 TYR B 192 22.422 -3.864 0.913 1.00 1.91 H new ATOM 0 HD1 TYR B 192 21.222 -3.308 -2.548 1.00 2.95 H new ATOM 0 HD2 TYR B 192 24.479 -4.610 -0.132 1.00 2.80 H new ATOM 0 HE1 TYR B 192 22.310 -4.258 -4.531 1.00 3.62 H new ATOM 0 HE2 TYR B 192 25.571 -5.555 -2.118 1.00 3.41 H new ATOM 0 HH TYR B 192 25.155 -6.272 -4.293 1.00 4.48 H new ATOM 1668 N ASP B 193 20.750 -3.410 2.397 1.00 2.08 N ATOM 1669 CA ASP B 193 20.271 -3.656 3.752 1.00 2.57 C ATOM 1670 C ASP B 193 19.887 -2.339 4.411 1.00 2.39 C ATOM 1671 O ASP B 193 18.733 -2.125 4.782 1.00 2.59 O ATOM 1672 CB ASP B 193 21.345 -4.375 4.570 1.00 3.18 C ATOM 1673 CG ASP B 193 20.918 -4.618 6.002 1.00 3.84 C ATOM 1674 OD1 ASP B 193 20.037 -5.474 6.229 1.00 4.22 O ATOM 1675 OD2 ASP B 193 21.473 -3.963 6.909 1.00 4.14 O ATOM 0 H ASP B 193 21.709 -3.067 2.339 1.00 2.08 H new ATOM 0 HA ASP B 193 19.389 -4.295 3.708 1.00 2.57 H new ATOM 0 HB2 ASP B 193 21.579 -5.329 4.097 1.00 3.18 H new ATOM 0 HB3 ASP B 193 22.260 -3.783 4.563 1.00 3.18 H new ATOM 1680 N VAL B 194 20.864 -1.453 4.533 1.00 2.39 N ATOM 1681 CA VAL B 194 20.651 -0.140 5.127 1.00 2.62 C ATOM 1682 C VAL B 194 21.846 0.767 4.840 1.00 2.80 C ATOM 1683 O VAL B 194 21.718 1.991 4.804 1.00 3.15 O ATOM 1684 CB VAL B 194 20.391 -0.221 6.655 1.00 3.43 C ATOM 1685 CG1 VAL B 194 21.609 -0.742 7.401 1.00 3.97 C ATOM 1686 CG2 VAL B 194 19.962 1.131 7.210 1.00 3.78 C ATOM 0 H VAL B 194 21.822 -1.621 4.225 1.00 2.39 H new ATOM 0 HA VAL B 194 19.756 0.283 4.670 1.00 2.62 H new ATOM 0 HB VAL B 194 19.577 -0.929 6.808 1.00 3.43 H new ATOM 0 HG11 VAL B 194 21.391 -0.785 8.468 1.00 3.97 H new ATOM 0 HG12 VAL B 194 21.857 -1.740 7.040 1.00 3.97 H new ATOM 0 HG13 VAL B 194 22.453 -0.074 7.230 1.00 3.97 H new ATOM 0 HG21 VAL B 194 19.787 1.045 8.282 1.00 3.78 H new ATOM 0 HG22 VAL B 194 20.747 1.865 7.028 1.00 3.78 H new ATOM 0 HG23 VAL B 194 19.045 1.452 6.717 1.00 3.78 H new ATOM 1696 N GLU B 195 23.007 0.162 4.617 1.00 2.75 N ATOM 1697 CA GLU B 195 24.210 0.921 4.321 1.00 3.12 C ATOM 1698 C GLU B 195 24.178 1.451 2.890 1.00 2.88 C ATOM 1699 O GLU B 195 23.231 1.188 2.147 1.00 2.39 O ATOM 1700 CB GLU B 195 25.453 0.062 4.543 1.00 3.40 C ATOM 1701 CG GLU B 195 26.346 0.601 5.641 1.00 4.16 C ATOM 1702 CD GLU B 195 26.641 2.072 5.458 1.00 4.65 C ATOM 1703 OE1 GLU B 195 27.381 2.415 4.516 1.00 4.87 O ATOM 1704 OE2 GLU B 195 26.105 2.894 6.224 1.00 5.02 O ATOM 0 H GLU B 195 23.138 -0.849 4.636 1.00 2.75 H new ATOM 0 HA GLU B 195 24.250 1.773 5.000 1.00 3.12 H new ATOM 0 HB2 GLU B 195 25.148 -0.954 4.794 1.00 3.40 H new ATOM 0 HB3 GLU B 195 26.020 0.004 3.614 1.00 3.40 H new ATOM 0 HG2 GLU B 195 25.867 0.445 6.608 1.00 4.16 H new ATOM 0 HG3 GLU B 195 27.282 0.042 5.655 1.00 4.16 H new ATOM 1711 N ASN B 196 25.218 2.187 2.503 1.00 3.43 N ATOM 1712 CA ASN B 196 25.285 2.761 1.158 1.00 3.64 C ATOM 1713 C ASN B 196 25.701 1.720 0.132 1.00 3.41 C ATOM 1714 O ASN B 196 25.520 1.931 -1.064 1.00 3.56 O ATOM 1715 CB ASN B 196 26.264 3.935 1.113 1.00 4.47 C ATOM 1716 CG ASN B 196 25.787 5.049 0.199 1.00 4.94 C ATOM 1717 OD1 ASN B 196 25.125 5.985 0.643 1.00 5.26 O ATOM 1718 ND2 ASN B 196 26.119 4.958 -1.079 1.00 5.14 N ATOM 0 H ASN B 196 26.021 2.400 3.095 1.00 3.43 H new ATOM 0 HA ASN B 196 24.285 3.117 0.911 1.00 3.64 H new ATOM 0 HB2 ASN B 196 26.402 4.329 2.120 1.00 4.47 H new ATOM 0 HB3 ASN B 196 27.237 3.581 0.773 1.00 4.47 H new ATOM 0 HD21 ASN B 196 25.824 5.681 -1.735 1.00 5.14 H new ATOM 0 HD22 ASN B 196 26.670 4.165 -1.408 1.00 5.14 H new ATOM 1725 N GLU B 197 26.286 0.623 0.623 1.00 3.29 N ATOM 1726 CA GLU B 197 26.742 -0.497 -0.211 1.00 3.26 C ATOM 1727 C GLU B 197 27.843 -0.070 -1.194 1.00 3.82 C ATOM 1728 O GLU B 197 28.129 1.117 -1.360 1.00 4.30 O ATOM 1729 CB GLU B 197 25.556 -1.151 -0.950 1.00 2.93 C ATOM 1730 CG GLU B 197 25.341 -0.654 -2.370 1.00 3.10 C ATOM 1731 CD GLU B 197 23.875 -0.586 -2.749 1.00 3.38 C ATOM 1732 OE1 GLU B 197 23.093 0.066 -2.022 1.00 3.83 O ATOM 1733 OE2 GLU B 197 23.504 -1.170 -3.784 1.00 3.60 O ATOM 0 H GLU B 197 26.458 0.485 1.619 1.00 3.29 H new ATOM 0 HA GLU B 197 27.180 -1.241 0.454 1.00 3.26 H new ATOM 0 HB2 GLU B 197 25.712 -2.229 -0.977 1.00 2.93 H new ATOM 0 HB3 GLU B 197 24.646 -0.975 -0.376 1.00 2.93 H new ATOM 0 HG2 GLU B 197 25.786 0.335 -2.476 1.00 3.10 H new ATOM 0 HG3 GLU B 197 25.862 -1.313 -3.064 1.00 3.10 H new ATOM 1740 N GLU B 198 28.491 -1.053 -1.806 1.00 3.91 N ATOM 1741 CA GLU B 198 29.548 -0.787 -2.774 1.00 4.52 C ATOM 1742 C GLU B 198 29.488 -1.796 -3.916 1.00 4.64 C ATOM 1743 O GLU B 198 30.427 -1.927 -4.700 1.00 5.16 O ATOM 1744 CB GLU B 198 30.921 -0.839 -2.095 1.00 4.90 C ATOM 1745 CG GLU B 198 31.519 0.532 -1.817 1.00 5.36 C ATOM 1746 CD GLU B 198 31.708 1.354 -3.076 1.00 5.99 C ATOM 1747 OE1 GLU B 198 32.587 1.011 -3.892 1.00 6.25 O ATOM 1748 OE2 GLU B 198 30.963 2.344 -3.267 1.00 6.45 O ATOM 0 H GLU B 198 28.303 -2.043 -1.649 1.00 3.91 H new ATOM 0 HA GLU B 198 29.398 0.213 -3.182 1.00 4.52 H new ATOM 0 HB2 GLU B 198 30.831 -1.384 -1.155 1.00 4.90 H new ATOM 0 HB3 GLU B 198 31.607 -1.404 -2.726 1.00 4.90 H new ATOM 0 HG2 GLU B 198 30.871 1.074 -1.128 1.00 5.36 H new ATOM 0 HG3 GLU B 198 32.481 0.410 -1.320 1.00 5.36 H new ATOM 1755 N LYS B 199 28.373 -2.508 -4.008 1.00 4.32 N ATOM 1756 CA LYS B 199 28.201 -3.514 -5.047 1.00 4.64 C ATOM 1757 C LYS B 199 27.135 -3.091 -6.050 1.00 4.89 C ATOM 1758 O LYS B 199 27.382 -3.077 -7.256 1.00 5.53 O ATOM 1759 CB LYS B 199 27.835 -4.863 -4.424 1.00 4.38 C ATOM 1760 CG LYS B 199 29.008 -5.829 -4.309 1.00 4.54 C ATOM 1761 CD LYS B 199 30.108 -5.279 -3.413 1.00 4.53 C ATOM 1762 CE LYS B 199 31.356 -6.145 -3.459 1.00 4.41 C ATOM 1763 NZ LYS B 199 31.081 -7.541 -3.035 1.00 4.56 N ATOM 0 H LYS B 199 27.577 -2.408 -3.378 1.00 4.32 H new ATOM 0 HA LYS B 199 29.147 -3.614 -5.580 1.00 4.64 H new ATOM 0 HB2 LYS B 199 27.419 -4.693 -3.431 1.00 4.38 H new ATOM 0 HB3 LYS B 199 27.052 -5.328 -5.023 1.00 4.38 H new ATOM 0 HG2 LYS B 199 28.657 -6.781 -3.911 1.00 4.54 H new ATOM 0 HG3 LYS B 199 29.413 -6.028 -5.301 1.00 4.54 H new ATOM 0 HD2 LYS B 199 30.357 -4.264 -3.724 1.00 4.53 H new ATOM 0 HD3 LYS B 199 29.745 -5.218 -2.387 1.00 4.53 H new ATOM 0 HE2 LYS B 199 31.759 -6.147 -4.472 1.00 4.41 H new ATOM 0 HE3 LYS B 199 32.120 -5.714 -2.813 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 31.976 -8.066 -2.967 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 30.611 -7.536 -2.107 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 30.463 -8.001 -3.734 1.00 4.56 H new ATOM 1777 N VAL B 200 25.955 -2.741 -5.532 1.00 4.46 N ATOM 1778 CA VAL B 200 24.818 -2.303 -6.346 1.00 4.74 C ATOM 1779 C VAL B 200 24.526 -3.287 -7.482 1.00 5.32 C ATOM 1780 O VAL B 200 24.567 -2.923 -8.659 1.00 5.99 O ATOM 1781 CB VAL B 200 25.030 -0.886 -6.940 1.00 5.22 C ATOM 1782 CG1 VAL B 200 23.689 -0.219 -7.210 1.00 5.43 C ATOM 1783 CG2 VAL B 200 25.883 -0.020 -6.020 1.00 4.96 C ATOM 0 H VAL B 200 25.760 -2.754 -4.531 1.00 4.46 H new ATOM 0 HA VAL B 200 23.963 -2.270 -5.671 1.00 4.74 H new ATOM 0 HB VAL B 200 25.565 -0.994 -7.884 1.00 5.22 H new ATOM 0 HG11 VAL B 200 23.854 0.775 -7.627 1.00 5.43 H new ATOM 0 HG12 VAL B 200 23.120 -0.820 -7.919 1.00 5.43 H new ATOM 0 HG13 VAL B 200 23.131 -0.133 -6.278 1.00 5.43 H new ATOM 0 HG21 VAL B 200 26.012 0.966 -6.466 1.00 4.96 H new ATOM 0 HG22 VAL B 200 25.389 0.080 -5.054 1.00 4.96 H new ATOM 0 HG23 VAL B 200 26.858 -0.487 -5.882 1.00 4.96 H new ATOM 1793 N LYS B 201 24.254 -4.539 -7.130 1.00 5.18 N ATOM 1794 CA LYS B 201 23.955 -5.558 -8.132 1.00 5.84 C ATOM 1795 C LYS B 201 22.921 -6.565 -7.627 1.00 5.78 C ATOM 1796 O LYS B 201 22.537 -7.483 -8.350 1.00 6.37 O ATOM 1797 CB LYS B 201 25.237 -6.282 -8.557 1.00 6.17 C ATOM 1798 CG LYS B 201 25.817 -7.209 -7.496 1.00 5.81 C ATOM 1799 CD LYS B 201 27.243 -7.628 -7.835 1.00 6.12 C ATOM 1800 CE LYS B 201 27.349 -8.217 -9.237 1.00 6.82 C ATOM 1801 NZ LYS B 201 26.588 -9.489 -9.369 1.00 7.02 N ATOM 0 H LYS B 201 24.234 -4.872 -6.166 1.00 5.18 H new ATOM 0 HA LYS B 201 23.528 -5.051 -8.997 1.00 5.84 H new ATOM 0 HB2 LYS B 201 25.031 -6.863 -9.456 1.00 6.17 H new ATOM 0 HB3 LYS B 201 25.989 -5.539 -8.823 1.00 6.17 H new ATOM 0 HG2 LYS B 201 25.805 -6.708 -6.528 1.00 5.81 H new ATOM 0 HG3 LYS B 201 25.189 -8.095 -7.404 1.00 5.81 H new ATOM 0 HD2 LYS B 201 27.903 -6.764 -7.754 1.00 6.12 H new ATOM 0 HD3 LYS B 201 27.588 -8.362 -7.107 1.00 6.12 H new ATOM 0 HE2 LYS B 201 26.975 -7.494 -9.962 1.00 6.82 H new ATOM 0 HE3 LYS B 201 28.397 -8.396 -9.476 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 26.688 -9.854 -10.338 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 26.961 -10.188 -8.695 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 25.583 -9.315 -9.166 1.00 7.02 H new ATOM 1815 N LEU B 202 22.476 -6.396 -6.389 1.00 5.18 N ATOM 1816 CA LEU B 202 21.486 -7.298 -5.807 1.00 5.23 C ATOM 1817 C LEU B 202 20.133 -6.604 -5.703 1.00 4.95 C ATOM 1818 O LEU B 202 20.006 -5.570 -5.054 1.00 4.37 O ATOM 1819 CB LEU B 202 21.941 -7.785 -4.426 1.00 4.91 C ATOM 1820 CG LEU B 202 23.226 -8.621 -4.417 1.00 5.32 C ATOM 1821 CD1 LEU B 202 23.717 -8.830 -2.994 1.00 5.10 C ATOM 1822 CD2 LEU B 202 23.001 -9.961 -5.099 1.00 6.12 C ATOM 0 H LEU B 202 22.782 -5.646 -5.769 1.00 5.18 H new ATOM 0 HA LEU B 202 21.386 -8.164 -6.461 1.00 5.23 H new ATOM 0 HB2 LEU B 202 22.087 -6.917 -3.783 1.00 4.91 H new ATOM 0 HB3 LEU B 202 21.139 -8.377 -3.985 1.00 4.91 H new ATOM 0 HG LEU B 202 23.990 -8.076 -4.972 1.00 5.32 H new ATOM 0 HD11 LEU B 202 24.630 -9.425 -3.008 1.00 5.10 H new ATOM 0 HD12 LEU B 202 23.921 -7.863 -2.534 1.00 5.10 H new ATOM 0 HD13 LEU B 202 22.952 -9.351 -2.418 1.00 5.10 H new ATOM 0 HD21 LEU B 202 23.926 -10.538 -5.081 1.00 6.12 H new ATOM 0 HD22 LEU B 202 22.220 -10.510 -4.573 1.00 6.12 H new ATOM 0 HD23 LEU B 202 22.696 -9.797 -6.132 1.00 6.12 H new ATOM 1834 N GLY B 203 19.125 -7.177 -6.347 1.00 5.44 N ATOM 1835 CA GLY B 203 17.796 -6.591 -6.317 1.00 5.30 C ATOM 1836 C GLY B 203 16.894 -7.251 -5.297 1.00 5.32 C ATOM 1837 O GLY B 203 15.776 -6.795 -5.058 1.00 5.33 O ATOM 0 H GLY B 203 19.202 -8.037 -6.890 1.00 5.44 H new ATOM 0 HA2 GLY B 203 17.876 -5.528 -6.092 1.00 5.30 H new ATOM 0 HA3 GLY B 203 17.343 -6.674 -7.305 1.00 5.30 H new ATOM 1841 N MET B 204 17.377 -8.328 -4.694 1.00 5.45 N ATOM 1842 CA MET B 204 16.609 -9.061 -3.690 1.00 5.69 C ATOM 1843 C MET B 204 16.287 -8.185 -2.481 1.00 5.11 C ATOM 1844 O MET B 204 15.148 -8.148 -2.017 1.00 5.36 O ATOM 1845 CB MET B 204 17.372 -10.319 -3.245 1.00 6.02 C ATOM 1846 CG MET B 204 18.747 -10.034 -2.655 1.00 5.50 C ATOM 1847 SD MET B 204 19.671 -11.527 -2.252 1.00 6.01 S ATOM 1848 CE MET B 204 19.995 -12.176 -3.889 1.00 6.67 C ATOM 0 H MET B 204 18.301 -8.717 -4.882 1.00 5.45 H new ATOM 0 HA MET B 204 15.666 -9.360 -4.148 1.00 5.69 H new ATOM 0 HB2 MET B 204 16.774 -10.851 -2.505 1.00 6.02 H new ATOM 0 HB3 MET B 204 17.486 -10.984 -4.101 1.00 6.02 H new ATOM 0 HG2 MET B 204 19.323 -9.439 -3.364 1.00 5.50 H new ATOM 0 HG3 MET B 204 18.631 -9.432 -1.754 1.00 5.50 H new ATOM 0 HE1 MET B 204 20.951 -12.700 -3.890 1.00 6.67 H new ATOM 0 HE2 MET B 204 19.201 -12.868 -4.170 1.00 6.67 H new ATOM 0 HE3 MET B 204 20.031 -11.355 -4.605 1.00 6.67 H new ATOM 1858 N THR B 205 17.286 -7.462 -1.995 1.00 4.40 N ATOM 1859 CA THR B 205 17.121 -6.606 -0.836 1.00 3.86 C ATOM 1860 C THR B 205 16.858 -5.157 -1.232 1.00 3.22 C ATOM 1861 O THR B 205 16.844 -4.272 -0.383 1.00 2.61 O ATOM 1862 CB THR B 205 18.369 -6.675 0.059 1.00 3.67 C ATOM 1863 OG1 THR B 205 19.429 -7.350 -0.640 1.00 3.95 O ATOM 1864 CG2 THR B 205 18.062 -7.406 1.356 1.00 4.16 C ATOM 0 H THR B 205 18.226 -7.454 -2.392 1.00 4.40 H new ATOM 0 HA THR B 205 16.253 -6.969 -0.286 1.00 3.86 H new ATOM 0 HB THR B 205 18.680 -5.658 0.300 1.00 3.67 H new ATOM 0 HG1 THR B 205 19.773 -6.770 -1.351 1.00 3.95 H new ATOM 0 HG21 THR B 205 18.959 -7.443 1.974 1.00 4.16 H new ATOM 0 HG22 THR B 205 17.273 -6.879 1.893 1.00 4.16 H new ATOM 0 HG23 THR B 205 17.733 -8.421 1.133 1.00 4.16 H new ATOM 1872 N ASN B 206 16.623 -4.927 -2.523 1.00 3.55 N ATOM 1873 CA ASN B 206 16.356 -3.578 -3.030 1.00 3.31 C ATOM 1874 C ASN B 206 15.224 -2.928 -2.246 1.00 3.04 C ATOM 1875 O ASN B 206 15.237 -1.721 -1.994 1.00 2.62 O ATOM 1876 CB ASN B 206 15.999 -3.626 -4.517 1.00 4.07 C ATOM 1877 CG ASN B 206 15.859 -2.246 -5.135 1.00 4.18 C ATOM 1878 OD1 ASN B 206 14.788 -1.638 -5.099 1.00 4.40 O ATOM 1879 ND2 ASN B 206 16.937 -1.748 -5.714 1.00 4.21 N ATOM 0 H ASN B 206 16.612 -5.655 -3.238 1.00 3.55 H new ATOM 0 HA ASN B 206 17.259 -2.981 -2.904 1.00 3.31 H new ATOM 0 HB2 ASN B 206 16.768 -4.182 -5.053 1.00 4.07 H new ATOM 0 HB3 ASN B 206 15.064 -4.172 -4.644 1.00 4.07 H new ATOM 0 HD21 ASN B 206 16.901 -0.828 -6.153 1.00 4.21 H new ATOM 0 HD22 ASN B 206 17.805 -2.284 -5.722 1.00 4.21 H new ATOM 1886 N SER B 207 14.252 -3.746 -1.863 1.00 3.47 N ATOM 1887 CA SER B 207 13.108 -3.289 -1.095 1.00 3.42 C ATOM 1888 C SER B 207 12.403 -4.476 -0.445 1.00 3.82 C ATOM 1889 O SER B 207 11.233 -4.737 -0.713 1.00 4.01 O ATOM 1890 CB SER B 207 12.130 -2.511 -1.987 1.00 3.85 C ATOM 1891 OG SER B 207 12.658 -1.244 -2.352 1.00 3.99 O ATOM 0 H SER B 207 14.237 -4.743 -2.077 1.00 3.47 H new ATOM 0 HA SER B 207 13.464 -2.619 -0.313 1.00 3.42 H new ATOM 0 HB2 SER B 207 11.915 -3.090 -2.885 1.00 3.85 H new ATOM 0 HB3 SER B 207 11.185 -2.375 -1.461 1.00 3.85 H new ATOM 0 HG SER B 207 13.545 -1.132 -1.952 1.00 3.99 H new ATOM 1897 N HIS B 208 13.124 -5.209 0.397 1.00 4.12 N ATOM 1898 CA HIS B 208 12.553 -6.362 1.079 1.00 4.71 C ATOM 1899 C HIS B 208 13.130 -6.493 2.481 1.00 4.82 C ATOM 1900 O HIS B 208 12.390 -6.241 3.449 1.00 5.20 O ATOM 1901 CB HIS B 208 12.809 -7.648 0.294 1.00 5.42 C ATOM 1902 CG HIS B 208 11.990 -8.807 0.774 1.00 6.08 C ATOM 1903 ND1 HIS B 208 10.737 -9.196 0.445 1.00 6.30 N flip ATOM 1904 CD2 HIS B 208 12.436 -9.718 1.708 1.00 6.75 C flip ATOM 1905 CE1 HIS B 208 10.450 -10.318 1.178 1.00 6.95 C flip ATOM 1906 NE2 HIS B 208 11.493 -10.615 1.929 1.00 7.22 N flip ATOM 1907 OXT HIS B 208 14.318 -6.845 2.602 1.00 4.71 O ATOM 0 H HIS B 208 14.102 -5.025 0.622 1.00 4.12 H new ATOM 0 HA HIS B 208 11.476 -6.206 1.149 1.00 4.71 H new ATOM 0 HB2 HIS B 208 12.594 -7.471 -0.760 1.00 5.42 H new ATOM 0 HB3 HIS B 208 13.866 -7.905 0.365 1.00 5.42 H new ATOM 0 HD1 HIS B 208 10.119 -8.738 -0.225 1.00 6.30 H new ATOM 0 HD2 HIS B 208 13.405 -9.700 2.184 1.00 6.75 H new ATOM 0 HE1 HIS B 208 9.522 -10.869 1.146 1.00 6.95 H new