USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 703 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 51 MET CE :methyl -109:sc= -3.09 (180deg=-5.97!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 THR OG1 : rot -81:sc= 0.561 USER MOD Set 2.2: A 48 GLN : amide:sc= -5.76! C(o=-13!,f=-29!) USER MOD Set 2.3: A 75 MET CE :methyl -113:sc= -8.23! (180deg=-7.14!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 2:sc= 1.2 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= -0.138 (180deg=-0.26) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.402 K(o=-0.4,f=-4.5!) USER MOD Single : A 26 THR OG1 : rot -125:sc= 0.118 USER MOD Single : A 31 MET CE :methyl 137:sc= -0.387 (180deg=-1.82!) USER MOD Single : A 34 LYS NZ :NH3+ -164:sc= 1.02 (180deg=0.824) USER MOD Single : A 36 GLN : amide:sc= -9.58! C(o=-9.6!,f=-4.8!) USER MOD Single : A 44 GLN : amide:sc= -1.43 K(o=-1.4,f=-5.7!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -157:sc= -4.4! (180deg=-5.5!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0684! C(o=-0.068!,f=-5.3!) USER MOD Single : A 71 MET CE :methyl 173:sc= -1.56 (180deg=-1.73!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -164:sc= -0.0116 (180deg=-0.268) USER MOD Single : A 90 THR OG1 : rot 49:sc= 0.165 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.091 16.774 -14.811 1.00 0.00 N ATOM 2 CA GLY A 1 -10.536 15.777 -15.769 1.00 0.00 C ATOM 3 C GLY A 1 -11.377 14.697 -15.085 1.00 0.00 C ATOM 4 O GLY A 1 -12.506 14.954 -14.669 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.523 17.495 -15.299 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.918 17.225 -14.370 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.513 16.317 -14.077 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.122 16.257 -16.553 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.672 15.319 -16.251 1.00 0.00 H new ATOM 8 N SER A 2 -10.795 13.510 -14.991 1.00 0.00 N ATOM 9 CA SER A 2 -11.476 12.390 -14.365 1.00 0.00 C ATOM 10 C SER A 2 -12.729 12.027 -15.164 1.00 0.00 C ATOM 11 O SER A 2 -13.600 12.869 -15.377 1.00 0.00 O ATOM 12 CB SER A 2 -11.846 12.710 -12.915 1.00 0.00 C ATOM 13 OG SER A 2 -11.191 11.844 -11.993 1.00 0.00 O ATOM 0 H SER A 2 -9.859 13.300 -15.338 1.00 0.00 H new ATOM 0 HA SER A 2 -10.797 11.538 -14.358 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.580 13.744 -12.693 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.925 12.624 -12.789 1.00 0.00 H new ATOM 0 HG SER A 2 -11.452 12.082 -11.079 1.00 0.00 H new ATOM 19 N SER A 3 -12.781 10.772 -15.585 1.00 0.00 N ATOM 20 CA SER A 3 -13.913 10.287 -16.356 1.00 0.00 C ATOM 21 C SER A 3 -13.912 8.757 -16.382 1.00 0.00 C ATOM 22 O SER A 3 -14.882 8.125 -15.966 1.00 0.00 O ATOM 23 CB SER A 3 -13.886 10.842 -17.782 1.00 0.00 C ATOM 24 OG SER A 3 -14.223 12.226 -17.822 1.00 0.00 O ATOM 0 H SER A 3 -12.057 10.076 -15.407 1.00 0.00 H new ATOM 0 HA SER A 3 -14.828 10.635 -15.876 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.893 10.698 -18.208 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.584 10.281 -18.403 1.00 0.00 H new ATOM 0 HG SER A 3 -14.384 12.550 -16.911 1.00 0.00 H new ATOM 30 N GLY A 4 -12.812 8.206 -16.874 1.00 0.00 N ATOM 31 CA GLY A 4 -12.672 6.762 -16.959 1.00 0.00 C ATOM 32 C GLY A 4 -11.273 6.375 -17.442 1.00 0.00 C ATOM 33 O GLY A 4 -10.920 6.620 -18.595 1.00 0.00 O ATOM 0 H GLY A 4 -12.009 8.733 -17.218 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.860 6.317 -15.982 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.421 6.360 -17.642 1.00 0.00 H new ATOM 37 N SER A 5 -10.514 5.776 -16.537 1.00 0.00 N ATOM 38 CA SER A 5 -9.161 5.352 -16.856 1.00 0.00 C ATOM 39 C SER A 5 -8.788 4.124 -16.023 1.00 0.00 C ATOM 40 O SER A 5 -9.542 3.714 -15.142 1.00 0.00 O ATOM 41 CB SER A 5 -8.159 6.482 -16.614 1.00 0.00 C ATOM 42 OG SER A 5 -8.176 6.931 -15.262 1.00 0.00 O ATOM 0 H SER A 5 -10.810 5.574 -15.582 1.00 0.00 H new ATOM 0 HA SER A 5 -9.124 5.091 -17.914 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.157 6.138 -16.869 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.388 7.317 -17.276 1.00 0.00 H new ATOM 0 HG SER A 5 -7.521 7.651 -15.148 1.00 0.00 H new ATOM 48 N SER A 6 -7.624 3.571 -16.332 1.00 0.00 N ATOM 49 CA SER A 6 -7.141 2.398 -15.624 1.00 0.00 C ATOM 50 C SER A 6 -6.838 2.754 -14.167 1.00 0.00 C ATOM 51 O SER A 6 -7.392 2.152 -13.249 1.00 0.00 O ATOM 52 CB SER A 6 -5.896 1.820 -16.299 1.00 0.00 C ATOM 53 OG SER A 6 -6.219 1.089 -17.479 1.00 0.00 O ATOM 0 H SER A 6 -7.001 3.914 -17.063 1.00 0.00 H new ATOM 0 HA SER A 6 -7.921 1.637 -15.651 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.211 2.630 -16.550 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.374 1.167 -15.599 1.00 0.00 H new ATOM 0 HG SER A 6 -5.397 0.738 -17.881 1.00 0.00 H new ATOM 59 N GLY A 7 -5.958 3.731 -14.001 1.00 0.00 N ATOM 60 CA GLY A 7 -5.575 4.175 -12.672 1.00 0.00 C ATOM 61 C GLY A 7 -6.772 4.154 -11.720 1.00 0.00 C ATOM 62 O GLY A 7 -7.740 4.886 -11.918 1.00 0.00 O ATOM 0 H GLY A 7 -5.500 4.227 -14.765 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.786 3.532 -12.283 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.166 5.184 -12.726 1.00 0.00 H new ATOM 66 N TYR A 8 -6.667 3.306 -10.707 1.00 0.00 N ATOM 67 CA TYR A 8 -7.729 3.180 -9.724 1.00 0.00 C ATOM 68 C TYR A 8 -7.369 3.913 -8.430 1.00 0.00 C ATOM 69 O TYR A 8 -6.192 4.069 -8.108 1.00 0.00 O ATOM 70 CB TYR A 8 -7.857 1.684 -9.430 1.00 0.00 C ATOM 71 CG TYR A 8 -8.602 0.899 -10.512 1.00 0.00 C ATOM 72 CD1 TYR A 8 -9.981 0.871 -10.518 1.00 0.00 C ATOM 73 CD2 TYR A 8 -7.894 0.219 -11.482 1.00 0.00 C ATOM 74 CE1 TYR A 8 -10.682 0.132 -11.536 1.00 0.00 C ATOM 75 CE2 TYR A 8 -8.594 -0.520 -12.500 1.00 0.00 C ATOM 76 CZ TYR A 8 -9.954 -0.527 -12.477 1.00 0.00 C ATOM 77 OH TYR A 8 -10.616 -1.225 -13.438 1.00 0.00 O ATOM 0 H TYR A 8 -5.863 2.700 -10.546 1.00 0.00 H new ATOM 0 HA TYR A 8 -8.655 3.612 -10.103 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -6.860 1.261 -9.310 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -8.375 1.554 -8.480 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -10.535 1.403 -9.759 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.814 0.241 -11.477 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -11.761 0.102 -11.552 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -8.052 -1.057 -13.264 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.968 -1.644 -14.043 1.00 0.00 H new ATOM 87 N SER A 9 -8.403 4.342 -7.722 1.00 0.00 N ATOM 88 CA SER A 9 -8.210 5.054 -6.471 1.00 0.00 C ATOM 89 C SER A 9 -8.743 4.218 -5.305 1.00 0.00 C ATOM 90 O SER A 9 -9.931 3.903 -5.255 1.00 0.00 O ATOM 91 CB SER A 9 -8.898 6.421 -6.502 1.00 0.00 C ATOM 92 OG SER A 9 -9.105 6.883 -7.834 1.00 0.00 O ATOM 0 H SER A 9 -9.378 4.210 -7.991 1.00 0.00 H new ATOM 0 HA SER A 9 -7.141 5.219 -6.333 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.857 6.356 -5.987 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.292 7.145 -5.957 1.00 0.00 H new ATOM 0 HG SER A 9 -9.548 7.757 -7.812 1.00 0.00 H new ATOM 98 N VAL A 10 -7.839 3.883 -4.397 1.00 0.00 N ATOM 99 CA VAL A 10 -8.204 3.090 -3.235 1.00 0.00 C ATOM 100 C VAL A 10 -7.739 3.808 -1.966 1.00 0.00 C ATOM 101 O VAL A 10 -7.083 4.846 -2.041 1.00 0.00 O ATOM 102 CB VAL A 10 -7.632 1.677 -3.366 1.00 0.00 C ATOM 103 CG1 VAL A 10 -8.062 1.032 -4.685 1.00 0.00 C ATOM 104 CG2 VAL A 10 -6.108 1.688 -3.231 1.00 0.00 C ATOM 0 H VAL A 10 -6.855 4.146 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.287 2.984 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.036 1.075 -2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.642 0.028 -4.753 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.150 0.974 -4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.701 1.634 -5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -5.727 0.671 -3.328 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -5.678 2.313 -4.014 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.832 2.087 -2.255 1.00 0.00 H new ATOM 114 N THR A 11 -8.098 3.227 -0.831 1.00 0.00 N ATOM 115 CA THR A 11 -7.726 3.798 0.452 1.00 0.00 C ATOM 116 C THR A 11 -6.863 2.814 1.244 1.00 0.00 C ATOM 117 O THR A 11 -7.271 1.678 1.482 1.00 0.00 O ATOM 118 CB THR A 11 -9.009 4.203 1.179 1.00 0.00 C ATOM 119 OG1 THR A 11 -9.260 5.532 0.728 1.00 0.00 O ATOM 120 CG2 THR A 11 -8.805 4.355 2.688 1.00 0.00 C ATOM 0 H THR A 11 -8.643 2.367 -0.773 1.00 0.00 H new ATOM 0 HA THR A 11 -7.112 4.690 0.325 1.00 0.00 H new ATOM 0 HB THR A 11 -9.782 3.458 0.990 1.00 0.00 H new ATOM 0 HG1 THR A 11 -10.077 5.872 1.150 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.747 4.643 3.155 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.467 3.407 3.107 1.00 0.00 H new ATOM 0 HG23 THR A 11 -8.055 5.123 2.878 1.00 0.00 H new ATOM 128 N VAL A 12 -5.687 3.285 1.631 1.00 0.00 N ATOM 129 CA VAL A 12 -4.763 2.461 2.391 1.00 0.00 C ATOM 130 C VAL A 12 -5.037 2.642 3.886 1.00 0.00 C ATOM 131 O VAL A 12 -5.045 3.765 4.387 1.00 0.00 O ATOM 132 CB VAL A 12 -3.322 2.794 2.002 1.00 0.00 C ATOM 133 CG1 VAL A 12 -2.334 2.238 3.029 1.00 0.00 C ATOM 134 CG2 VAL A 12 -3.000 2.280 0.597 1.00 0.00 C ATOM 0 H VAL A 12 -5.353 4.228 1.432 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.912 1.407 2.158 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.220 3.879 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.317 2.489 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.541 2.674 4.006 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.439 1.155 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.969 2.530 0.345 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.129 1.198 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.673 2.745 -0.124 1.00 0.00 H new ATOM 144 N LYS A 13 -5.253 1.519 4.555 1.00 0.00 N ATOM 145 CA LYS A 13 -5.526 1.540 5.982 1.00 0.00 C ATOM 146 C LYS A 13 -4.414 0.792 6.721 1.00 0.00 C ATOM 147 O LYS A 13 -4.312 -0.430 6.624 1.00 0.00 O ATOM 148 CB LYS A 13 -6.927 0.996 6.268 1.00 0.00 C ATOM 149 CG LYS A 13 -7.772 2.026 7.021 1.00 0.00 C ATOM 150 CD LYS A 13 -8.724 1.342 8.004 1.00 0.00 C ATOM 151 CE LYS A 13 -10.065 1.026 7.339 1.00 0.00 C ATOM 152 NZ LYS A 13 -10.047 -0.333 6.754 1.00 0.00 N ATOM 0 H LYS A 13 -5.245 0.589 4.136 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.524 2.564 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.417 0.733 5.331 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.853 0.081 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.119 2.713 7.560 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.344 2.622 6.310 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.271 0.422 8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.885 1.987 8.868 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.868 1.102 8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.274 1.760 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.002 -0.583 6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.389 -0.356 5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.737 -1.017 7.474 1.00 0.00 H new ATOM 166 N TRP A 14 -3.608 1.558 7.442 1.00 0.00 N ATOM 167 CA TRP A 14 -2.507 0.983 8.197 1.00 0.00 C ATOM 168 C TRP A 14 -2.754 1.263 9.680 1.00 0.00 C ATOM 169 O TRP A 14 -2.401 2.329 10.182 1.00 0.00 O ATOM 170 CB TRP A 14 -1.164 1.522 7.702 1.00 0.00 C ATOM 171 CG TRP A 14 0.051 0.807 8.298 1.00 0.00 C ATOM 172 CD1 TRP A 14 0.203 -0.504 8.535 1.00 0.00 C ATOM 173 CD2 TRP A 14 1.285 1.420 8.726 1.00 0.00 C ATOM 174 NE1 TRP A 14 1.440 -0.779 9.081 1.00 0.00 N ATOM 175 CE2 TRP A 14 2.119 0.428 9.201 1.00 0.00 C ATOM 176 CE3 TRP A 14 1.685 2.768 8.711 1.00 0.00 C ATOM 177 CZ2 TRP A 14 3.404 0.679 9.698 1.00 0.00 C ATOM 178 CZ3 TRP A 14 2.971 3.002 9.211 1.00 0.00 C ATOM 179 CH2 TRP A 14 3.823 2.015 9.693 1.00 0.00 C ATOM 0 H TRP A 14 -3.695 2.571 7.519 1.00 0.00 H new ATOM 0 HA TRP A 14 -2.460 -0.096 8.050 1.00 0.00 H new ATOM 0 HB2 TRP A 14 -1.127 1.435 6.616 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -1.100 2.584 7.939 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -0.548 -1.251 8.325 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.791 -1.699 9.348 1.00 0.00 H new ATOM 0 HE3 TRP A 14 1.050 3.560 8.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.037 -0.115 10.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 3.327 4.022 9.223 1.00 0.00 H new ATOM 0 HH2 TRP A 14 4.804 2.277 10.062 1.00 0.00 H new ATOM 190 N GLY A 15 -3.359 0.286 10.341 1.00 0.00 N ATOM 191 CA GLY A 15 -3.657 0.414 11.758 1.00 0.00 C ATOM 192 C GLY A 15 -4.072 1.845 12.104 1.00 0.00 C ATOM 193 O GLY A 15 -4.929 2.425 11.438 1.00 0.00 O ATOM 0 H GLY A 15 -3.651 -0.597 9.922 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.456 -0.276 12.029 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.782 0.134 12.344 1.00 0.00 H new ATOM 197 N LYS A 16 -3.445 2.374 13.144 1.00 0.00 N ATOM 198 CA LYS A 16 -3.739 3.726 13.587 1.00 0.00 C ATOM 199 C LYS A 16 -3.572 4.691 12.411 1.00 0.00 C ATOM 200 O LYS A 16 -4.319 5.660 12.287 1.00 0.00 O ATOM 201 CB LYS A 16 -2.887 4.089 14.805 1.00 0.00 C ATOM 202 CG LYS A 16 -1.403 4.153 14.436 1.00 0.00 C ATOM 203 CD LYS A 16 -0.560 4.595 15.633 1.00 0.00 C ATOM 204 CE LYS A 16 -0.088 6.041 15.467 1.00 0.00 C ATOM 205 NZ LYS A 16 0.337 6.601 16.769 1.00 0.00 N ATOM 0 H LYS A 16 -2.734 1.891 13.693 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.775 3.801 13.918 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.208 5.051 15.204 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.038 3.351 15.592 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.068 3.175 14.092 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.260 4.848 13.609 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.145 4.502 16.548 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.303 3.937 15.738 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.741 6.080 14.760 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.892 6.646 15.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 0.654 7.583 16.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.463 6.581 17.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.119 6.033 17.153 1.00 0.00 H new ATOM 219 N GLU A 17 -2.588 4.391 11.576 1.00 0.00 N ATOM 220 CA GLU A 17 -2.314 5.219 10.414 1.00 0.00 C ATOM 221 C GLU A 17 -3.409 5.037 9.362 1.00 0.00 C ATOM 222 O GLU A 17 -3.972 3.952 9.228 1.00 0.00 O ATOM 223 CB GLU A 17 -0.935 4.905 9.830 1.00 0.00 C ATOM 224 CG GLU A 17 0.178 5.419 10.745 1.00 0.00 C ATOM 225 CD GLU A 17 0.065 6.931 10.951 1.00 0.00 C ATOM 226 OE1 GLU A 17 0.316 7.658 9.966 1.00 0.00 O ATOM 227 OE2 GLU A 17 -0.271 7.325 12.088 1.00 0.00 O ATOM 0 H GLU A 17 -1.971 3.586 11.681 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.310 6.263 10.729 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.830 3.829 9.694 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.841 5.362 8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.124 4.912 11.709 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.149 5.179 10.312 1.00 0.00 H new ATOM 234 N LYS A 18 -3.680 6.116 8.643 1.00 0.00 N ATOM 235 CA LYS A 18 -4.698 6.090 7.607 1.00 0.00 C ATOM 236 C LYS A 18 -4.244 6.953 6.428 1.00 0.00 C ATOM 237 O LYS A 18 -3.761 8.068 6.621 1.00 0.00 O ATOM 238 CB LYS A 18 -6.057 6.498 8.180 1.00 0.00 C ATOM 239 CG LYS A 18 -7.039 6.853 7.062 1.00 0.00 C ATOM 240 CD LYS A 18 -8.475 6.900 7.589 1.00 0.00 C ATOM 241 CE LYS A 18 -8.911 5.533 8.118 1.00 0.00 C ATOM 242 NZ LYS A 18 -10.377 5.497 8.318 1.00 0.00 N ATOM 0 H LYS A 18 -3.212 7.015 8.758 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.829 5.076 7.228 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.462 5.683 8.780 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.933 7.352 8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.773 7.819 6.633 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.965 6.117 6.261 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.550 7.642 8.384 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.148 7.217 6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.615 4.754 7.416 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -8.404 5.323 9.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.655 4.562 8.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.652 6.228 9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.855 5.676 7.412 1.00 0.00 H new ATOM 256 N PHE A 19 -4.414 6.405 5.234 1.00 0.00 N ATOM 257 CA PHE A 19 -4.027 7.111 4.024 1.00 0.00 C ATOM 258 C PHE A 19 -5.132 7.035 2.968 1.00 0.00 C ATOM 259 O PHE A 19 -5.397 5.968 2.418 1.00 0.00 O ATOM 260 CB PHE A 19 -2.774 6.420 3.484 1.00 0.00 C ATOM 261 CG PHE A 19 -1.571 6.486 4.429 1.00 0.00 C ATOM 262 CD1 PHE A 19 -0.884 7.650 4.575 1.00 0.00 C ATOM 263 CD2 PHE A 19 -1.190 5.380 5.122 1.00 0.00 C ATOM 264 CE1 PHE A 19 0.231 7.711 5.451 1.00 0.00 C ATOM 265 CE2 PHE A 19 -0.074 5.440 5.998 1.00 0.00 C ATOM 266 CZ PHE A 19 0.613 6.605 6.144 1.00 0.00 C ATOM 0 H PHE A 19 -4.815 5.480 5.078 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.847 8.162 4.248 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.007 5.375 3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.501 6.876 2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.187 8.528 4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.736 4.456 5.006 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.776 8.636 5.567 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.229 4.561 6.548 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.462 6.652 6.810 1.00 0.00 H new ATOM 276 N GLU A 20 -5.746 8.182 2.717 1.00 0.00 N ATOM 277 CA GLU A 20 -6.816 8.259 1.737 1.00 0.00 C ATOM 278 C GLU A 20 -6.400 9.151 0.566 1.00 0.00 C ATOM 279 O GLU A 20 -6.046 10.313 0.761 1.00 0.00 O ATOM 280 CB GLU A 20 -8.111 8.763 2.377 1.00 0.00 C ATOM 281 CG GLU A 20 -8.522 7.877 3.555 1.00 0.00 C ATOM 282 CD GLU A 20 -10.031 7.953 3.797 1.00 0.00 C ATOM 283 OE1 GLU A 20 -10.476 9.017 4.278 1.00 0.00 O ATOM 284 OE2 GLU A 20 -10.705 6.944 3.496 1.00 0.00 O ATOM 0 H GLU A 20 -5.523 9.065 3.175 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.005 7.256 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -7.976 9.789 2.719 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.907 8.777 1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.233 6.845 3.357 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.990 8.190 4.453 1.00 0.00 H new ATOM 291 N GLY A 21 -6.455 8.573 -0.625 1.00 0.00 N ATOM 292 CA GLY A 21 -6.088 9.301 -1.828 1.00 0.00 C ATOM 293 C GLY A 21 -4.741 8.820 -2.371 1.00 0.00 C ATOM 294 O GLY A 21 -3.866 9.628 -2.675 1.00 0.00 O ATOM 0 H GLY A 21 -6.748 7.609 -0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -6.859 9.168 -2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.036 10.368 -1.610 1.00 0.00 H new ATOM 298 N VAL A 22 -4.618 7.505 -2.476 1.00 0.00 N ATOM 299 CA VAL A 22 -3.392 6.906 -2.976 1.00 0.00 C ATOM 300 C VAL A 22 -3.592 6.490 -4.435 1.00 0.00 C ATOM 301 O VAL A 22 -4.522 5.751 -4.752 1.00 0.00 O ATOM 302 CB VAL A 22 -2.972 5.743 -2.075 1.00 0.00 C ATOM 303 CG1 VAL A 22 -1.802 4.971 -2.687 1.00 0.00 C ATOM 304 CG2 VAL A 22 -2.627 6.236 -0.669 1.00 0.00 C ATOM 0 H VAL A 22 -5.347 6.838 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.576 7.629 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.818 5.060 -1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.523 4.150 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.097 4.572 -3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.951 5.640 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.332 5.390 -0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.805 6.949 -0.725 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.499 6.721 -0.230 1.00 0.00 H new ATOM 314 N GLU A 23 -2.703 6.983 -5.285 1.00 0.00 N ATOM 315 CA GLU A 23 -2.770 6.672 -6.702 1.00 0.00 C ATOM 316 C GLU A 23 -2.371 5.215 -6.945 1.00 0.00 C ATOM 317 O GLU A 23 -1.263 4.805 -6.604 1.00 0.00 O ATOM 318 CB GLU A 23 -1.889 7.624 -7.515 1.00 0.00 C ATOM 319 CG GLU A 23 -2.454 9.045 -7.495 1.00 0.00 C ATOM 320 CD GLU A 23 -1.778 9.889 -6.412 1.00 0.00 C ATOM 321 OE1 GLU A 23 -0.534 9.999 -6.473 1.00 0.00 O ATOM 322 OE2 GLU A 23 -2.520 10.405 -5.549 1.00 0.00 O ATOM 0 H GLU A 23 -1.932 7.596 -5.019 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.799 6.808 -7.035 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.877 7.625 -7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.819 7.271 -8.544 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.308 9.512 -8.469 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.529 9.010 -7.316 1.00 0.00 H new ATOM 329 N LEU A 24 -3.298 4.472 -7.533 1.00 0.00 N ATOM 330 CA LEU A 24 -3.057 3.069 -7.826 1.00 0.00 C ATOM 331 C LEU A 24 -3.345 2.805 -9.305 1.00 0.00 C ATOM 332 O LEU A 24 -4.329 3.303 -9.849 1.00 0.00 O ATOM 333 CB LEU A 24 -3.859 2.178 -6.875 1.00 0.00 C ATOM 334 CG LEU A 24 -4.156 0.762 -7.372 1.00 0.00 C ATOM 335 CD1 LEU A 24 -3.138 -0.238 -6.818 1.00 0.00 C ATOM 336 CD2 LEU A 24 -5.594 0.356 -7.045 1.00 0.00 C ATOM 0 H LEU A 24 -4.217 4.815 -7.814 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.010 2.818 -7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.315 2.104 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.806 2.672 -6.659 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.058 0.754 -8.458 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.372 -1.237 -7.186 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.137 0.044 -7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.180 -0.234 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.779 -0.655 -7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.744 0.386 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.286 1.047 -7.527 1.00 0.00 H new ATOM 348 N ASN A 25 -2.468 2.021 -9.915 1.00 0.00 N ATOM 349 CA ASN A 25 -2.615 1.684 -11.320 1.00 0.00 C ATOM 350 C ASN A 25 -2.492 0.169 -11.493 1.00 0.00 C ATOM 351 O ASN A 25 -1.702 -0.476 -10.804 1.00 0.00 O ATOM 352 CB ASN A 25 -1.523 2.346 -12.163 1.00 0.00 C ATOM 353 CG ASN A 25 -2.000 2.574 -13.598 1.00 0.00 C ATOM 354 OD1 ASN A 25 -3.185 2.612 -13.887 1.00 0.00 O ATOM 355 ND2 ASN A 25 -1.015 2.723 -14.479 1.00 0.00 N ATOM 0 H ASN A 25 -1.653 1.609 -9.461 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.591 2.039 -11.651 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.240 3.298 -11.715 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.632 1.718 -12.168 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.231 2.880 -15.463 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.044 2.680 -14.170 1.00 0.00 H new ATOM 362 N THR A 26 -3.284 -0.356 -12.416 1.00 0.00 N ATOM 363 CA THR A 26 -3.273 -1.783 -12.688 1.00 0.00 C ATOM 364 C THR A 26 -2.345 -2.096 -13.864 1.00 0.00 C ATOM 365 O THR A 26 -1.872 -3.222 -14.003 1.00 0.00 O ATOM 366 CB THR A 26 -4.718 -2.231 -12.919 1.00 0.00 C ATOM 367 OG1 THR A 26 -5.289 -1.179 -13.691 1.00 0.00 O ATOM 368 CG2 THR A 26 -5.542 -2.237 -11.630 1.00 0.00 C ATOM 0 H THR A 26 -3.938 0.182 -12.985 1.00 0.00 H new ATOM 0 HA THR A 26 -2.874 -2.343 -11.842 1.00 0.00 H new ATOM 0 HB THR A 26 -4.723 -3.229 -13.358 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.091 -0.840 -13.240 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.559 -2.562 -11.850 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.089 -2.921 -10.912 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.566 -1.232 -11.209 1.00 0.00 H new ATOM 376 N ASP A 27 -2.113 -1.078 -14.679 1.00 0.00 N ATOM 377 CA ASP A 27 -1.250 -1.229 -15.838 1.00 0.00 C ATOM 378 C ASP A 27 0.095 -1.810 -15.395 1.00 0.00 C ATOM 379 O ASP A 27 0.795 -2.438 -16.188 1.00 0.00 O ATOM 380 CB ASP A 27 -0.985 0.121 -16.508 1.00 0.00 C ATOM 381 CG ASP A 27 -0.487 0.039 -17.952 1.00 0.00 C ATOM 382 OD1 ASP A 27 -1.041 -0.798 -18.697 1.00 0.00 O ATOM 383 OD2 ASP A 27 0.436 0.817 -18.279 1.00 0.00 O ATOM 0 H ASP A 27 -2.508 -0.145 -14.560 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.749 -1.890 -16.546 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.905 0.706 -16.489 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.249 0.665 -15.916 1.00 0.00 H new ATOM 388 N GLU A 28 0.415 -1.578 -14.131 1.00 0.00 N ATOM 389 CA GLU A 28 1.663 -2.070 -13.573 1.00 0.00 C ATOM 390 C GLU A 28 1.397 -3.251 -12.637 1.00 0.00 C ATOM 391 O GLU A 28 0.247 -3.627 -12.418 1.00 0.00 O ATOM 392 CB GLU A 28 2.417 -0.954 -12.847 1.00 0.00 C ATOM 393 CG GLU A 28 1.650 0.367 -12.926 1.00 0.00 C ATOM 394 CD GLU A 28 2.468 1.514 -12.329 1.00 0.00 C ATOM 395 OE1 GLU A 28 3.556 1.783 -12.883 1.00 0.00 O ATOM 396 OE2 GLU A 28 1.988 2.095 -11.332 1.00 0.00 O ATOM 0 H GLU A 28 -0.168 -1.056 -13.477 1.00 0.00 H new ATOM 0 HA GLU A 28 2.293 -2.416 -14.392 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.566 -1.230 -11.803 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.406 -0.831 -13.289 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.409 0.590 -13.965 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.704 0.275 -12.393 1.00 0.00 H new ATOM 403 N PRO A 29 2.509 -3.818 -12.097 1.00 0.00 N ATOM 404 CA PRO A 29 2.408 -4.948 -11.190 1.00 0.00 C ATOM 405 C PRO A 29 1.923 -4.502 -9.809 1.00 0.00 C ATOM 406 O PRO A 29 1.860 -3.306 -9.526 1.00 0.00 O ATOM 407 CB PRO A 29 3.800 -5.557 -11.162 1.00 0.00 C ATOM 408 CG PRO A 29 4.737 -4.479 -11.683 1.00 0.00 C ATOM 409 CD PRO A 29 3.888 -3.399 -12.334 1.00 0.00 C ATOM 0 HA PRO A 29 1.673 -5.684 -11.516 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.074 -5.858 -10.151 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.848 -6.450 -11.784 1.00 0.00 H new ATOM 0 HG2 PRO A 29 5.328 -4.061 -10.868 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.439 -4.899 -12.403 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.086 -2.421 -11.895 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.100 -3.318 -13.400 1.00 0.00 H new ATOM 417 N PRO A 30 1.583 -5.512 -8.965 1.00 0.00 N ATOM 418 CA PRO A 30 1.105 -5.235 -7.621 1.00 0.00 C ATOM 419 C PRO A 30 2.256 -4.812 -6.706 1.00 0.00 C ATOM 420 O PRO A 30 2.034 -4.435 -5.557 1.00 0.00 O ATOM 421 CB PRO A 30 0.432 -6.521 -7.170 1.00 0.00 C ATOM 422 CG PRO A 30 0.960 -7.612 -8.087 1.00 0.00 C ATOM 423 CD PRO A 30 1.644 -6.939 -9.266 1.00 0.00 C ATOM 0 HA PRO A 30 0.404 -4.401 -7.588 1.00 0.00 H new ATOM 0 HB2 PRO A 30 0.666 -6.740 -6.128 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -0.653 -6.441 -7.243 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.662 -8.253 -7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 30 0.145 -8.249 -8.431 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.675 -7.278 -9.372 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.135 -7.168 -10.202 1.00 0.00 H new ATOM 431 N MET A 31 3.462 -4.887 -7.251 1.00 0.00 N ATOM 432 CA MET A 31 4.648 -4.516 -6.499 1.00 0.00 C ATOM 433 C MET A 31 4.792 -2.995 -6.418 1.00 0.00 C ATOM 434 O MET A 31 5.341 -2.470 -5.450 1.00 0.00 O ATOM 435 CB MET A 31 5.886 -5.112 -7.171 1.00 0.00 C ATOM 436 CG MET A 31 5.635 -6.559 -7.599 1.00 0.00 C ATOM 437 SD MET A 31 7.188 -7.379 -7.921 1.00 0.00 S ATOM 438 CE MET A 31 7.915 -7.317 -6.291 1.00 0.00 C ATOM 0 H MET A 31 3.643 -5.199 -8.205 1.00 0.00 H new ATOM 0 HA MET A 31 4.551 -4.907 -5.486 1.00 0.00 H new ATOM 0 HB2 MET A 31 6.155 -4.513 -8.041 1.00 0.00 H new ATOM 0 HB3 MET A 31 6.731 -5.074 -6.484 1.00 0.00 H new ATOM 0 HG2 MET A 31 5.090 -7.089 -6.818 1.00 0.00 H new ATOM 0 HG3 MET A 31 5.011 -6.580 -8.493 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.379 -8.277 -6.063 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.670 -6.532 -6.259 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.140 -7.105 -5.555 1.00 0.00 H new ATOM 448 N VAL A 32 4.290 -2.329 -7.447 1.00 0.00 N ATOM 449 CA VAL A 32 4.356 -0.879 -7.505 1.00 0.00 C ATOM 450 C VAL A 32 3.526 -0.289 -6.363 1.00 0.00 C ATOM 451 O VAL A 32 4.059 0.404 -5.497 1.00 0.00 O ATOM 452 CB VAL A 32 3.908 -0.389 -8.884 1.00 0.00 C ATOM 453 CG1 VAL A 32 3.915 1.139 -8.951 1.00 0.00 C ATOM 454 CG2 VAL A 32 4.779 -0.991 -9.989 1.00 0.00 C ATOM 0 H VAL A 32 3.835 -2.767 -8.248 1.00 0.00 H new ATOM 0 HA VAL A 32 5.383 -0.538 -7.371 1.00 0.00 H new ATOM 0 HB VAL A 32 2.884 -0.726 -9.044 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.593 1.461 -9.941 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.234 1.539 -8.200 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.923 1.507 -8.760 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.440 -0.627 -10.959 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.817 -0.698 -9.834 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.701 -2.078 -9.962 1.00 0.00 H new ATOM 464 N PHE A 33 2.235 -0.586 -6.397 1.00 0.00 N ATOM 465 CA PHE A 33 1.327 -0.093 -5.376 1.00 0.00 C ATOM 466 C PHE A 33 1.887 -0.348 -3.975 1.00 0.00 C ATOM 467 O PHE A 33 1.655 0.438 -3.058 1.00 0.00 O ATOM 468 CB PHE A 33 0.015 -0.864 -5.535 1.00 0.00 C ATOM 469 CG PHE A 33 -1.042 -0.518 -4.483 1.00 0.00 C ATOM 470 CD1 PHE A 33 -1.675 0.684 -4.525 1.00 0.00 C ATOM 471 CD2 PHE A 33 -1.347 -1.414 -3.506 1.00 0.00 C ATOM 472 CE1 PHE A 33 -2.655 1.005 -3.550 1.00 0.00 C ATOM 473 CE2 PHE A 33 -2.328 -1.093 -2.530 1.00 0.00 C ATOM 474 CZ PHE A 33 -2.961 0.110 -2.573 1.00 0.00 C ATOM 0 H PHE A 33 1.797 -1.162 -7.116 1.00 0.00 H new ATOM 0 HA PHE A 33 1.185 0.981 -5.492 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.394 -0.664 -6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.225 -1.932 -5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.432 1.395 -5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.844 -2.369 -3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.158 1.960 -3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.571 -1.804 -1.754 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.707 0.355 -1.831 1.00 0.00 H new ATOM 484 N LYS A 34 2.614 -1.449 -3.854 1.00 0.00 N ATOM 485 CA LYS A 34 3.210 -1.816 -2.581 1.00 0.00 C ATOM 486 C LYS A 34 4.496 -1.015 -2.374 1.00 0.00 C ATOM 487 O LYS A 34 4.901 -0.766 -1.239 1.00 0.00 O ATOM 488 CB LYS A 34 3.409 -3.331 -2.500 1.00 0.00 C ATOM 489 CG LYS A 34 2.066 -4.055 -2.381 1.00 0.00 C ATOM 490 CD LYS A 34 2.248 -5.451 -1.781 1.00 0.00 C ATOM 491 CE LYS A 34 1.114 -6.384 -2.211 1.00 0.00 C ATOM 492 NZ LYS A 34 1.319 -7.740 -1.654 1.00 0.00 N ATOM 0 H LYS A 34 2.804 -2.099 -4.617 1.00 0.00 H new ATOM 0 HA LYS A 34 2.540 -1.561 -1.760 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.937 -3.680 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.034 -3.574 -1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.389 -3.472 -1.757 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.603 -4.135 -3.365 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.205 -5.865 -2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.275 -5.383 -0.693 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.158 -5.985 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.069 -6.434 -3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.713 -8.418 -2.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.316 -8.015 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.072 -7.741 -0.644 1.00 0.00 H new ATOM 506 N ALA A 35 5.104 -0.633 -3.488 1.00 0.00 N ATOM 507 CA ALA A 35 6.336 0.135 -3.443 1.00 0.00 C ATOM 508 C ALA A 35 6.045 1.525 -2.875 1.00 0.00 C ATOM 509 O ALA A 35 6.904 2.130 -2.235 1.00 0.00 O ATOM 510 CB ALA A 35 6.952 0.194 -4.842 1.00 0.00 C ATOM 0 H ALA A 35 4.766 -0.841 -4.427 1.00 0.00 H new ATOM 0 HA ALA A 35 7.063 -0.344 -2.787 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.877 0.770 -4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.167 -0.817 -5.188 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.252 0.671 -5.528 1.00 0.00 H new ATOM 516 N GLN A 36 4.831 1.991 -3.128 1.00 0.00 N ATOM 517 CA GLN A 36 4.416 3.298 -2.649 1.00 0.00 C ATOM 518 C GLN A 36 4.062 3.232 -1.162 1.00 0.00 C ATOM 519 O GLN A 36 4.489 4.080 -0.381 1.00 0.00 O ATOM 520 CB GLN A 36 3.241 3.835 -3.469 1.00 0.00 C ATOM 521 CG GLN A 36 2.782 5.196 -2.943 1.00 0.00 C ATOM 522 CD GLN A 36 1.610 5.735 -3.767 1.00 0.00 C ATOM 523 OE1 GLN A 36 1.502 5.510 -4.961 1.00 0.00 O ATOM 524 NE2 GLN A 36 0.742 6.457 -3.064 1.00 0.00 N ATOM 0 H GLN A 36 4.121 1.486 -3.659 1.00 0.00 H new ATOM 0 HA GLN A 36 5.249 3.989 -2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 36 3.534 3.925 -4.515 1.00 0.00 H new ATOM 0 HB3 GLN A 36 2.412 3.128 -3.430 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.485 5.105 -1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.611 5.902 -2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.893 6.607 -2.066 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -0.075 6.861 -3.522 1.00 0.00 H new ATOM 533 N LEU A 37 3.286 2.215 -0.817 1.00 0.00 N ATOM 534 CA LEU A 37 2.870 2.027 0.563 1.00 0.00 C ATOM 535 C LEU A 37 4.103 2.045 1.470 1.00 0.00 C ATOM 536 O LEU A 37 4.025 2.472 2.620 1.00 0.00 O ATOM 537 CB LEU A 37 2.025 0.759 0.699 1.00 0.00 C ATOM 538 CG LEU A 37 0.699 0.751 -0.065 1.00 0.00 C ATOM 539 CD1 LEU A 37 -0.357 -0.070 0.678 1.00 0.00 C ATOM 540 CD2 LEU A 37 0.222 2.177 -0.348 1.00 0.00 C ATOM 0 H LEU A 37 2.935 1.513 -1.468 1.00 0.00 H new ATOM 0 HA LEU A 37 2.227 2.847 0.883 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.621 -0.089 0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.813 0.599 1.756 1.00 0.00 H new ATOM 0 HG LEU A 37 0.862 0.268 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.290 -0.059 0.114 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.010 -1.098 0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.525 0.361 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.722 2.144 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.080 2.707 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.968 2.698 -0.948 1.00 0.00 H new ATOM 552 N PHE A 38 5.211 1.575 0.917 1.00 0.00 N ATOM 553 CA PHE A 38 6.458 1.532 1.661 1.00 0.00 C ATOM 554 C PHE A 38 6.865 2.930 2.132 1.00 0.00 C ATOM 555 O PHE A 38 7.452 3.082 3.202 1.00 0.00 O ATOM 556 CB PHE A 38 7.529 0.996 0.709 1.00 0.00 C ATOM 557 CG PHE A 38 8.934 0.949 1.315 1.00 0.00 C ATOM 558 CD1 PHE A 38 9.090 0.909 2.665 1.00 0.00 C ATOM 559 CD2 PHE A 38 10.025 0.947 0.503 1.00 0.00 C ATOM 560 CE1 PHE A 38 10.393 0.865 3.228 1.00 0.00 C ATOM 561 CE2 PHE A 38 11.328 0.903 1.066 1.00 0.00 C ATOM 562 CZ PHE A 38 11.485 0.863 2.416 1.00 0.00 C ATOM 0 H PHE A 38 5.271 1.221 -0.038 1.00 0.00 H new ATOM 0 HA PHE A 38 6.343 0.900 2.542 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.248 -0.008 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.551 1.619 -0.185 1.00 0.00 H new ATOM 0 HD1 PHE A 38 8.223 0.911 3.309 1.00 0.00 H new ATOM 0 HD2 PHE A 38 9.901 0.979 -0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 38 10.517 0.833 4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 38 12.195 0.901 0.422 1.00 0.00 H new ATOM 0 HZ PHE A 38 12.476 0.830 2.844 1.00 0.00 H new ATOM 572 N ALA A 39 6.535 3.915 1.310 1.00 0.00 N ATOM 573 CA ALA A 39 6.859 5.296 1.629 1.00 0.00 C ATOM 574 C ALA A 39 5.670 5.941 2.345 1.00 0.00 C ATOM 575 O ALA A 39 5.763 7.076 2.810 1.00 0.00 O ATOM 576 CB ALA A 39 7.241 6.040 0.348 1.00 0.00 C ATOM 0 H ALA A 39 6.047 3.785 0.424 1.00 0.00 H new ATOM 0 HA ALA A 39 7.715 5.344 2.302 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.484 7.075 0.587 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.107 5.560 -0.107 1.00 0.00 H new ATOM 0 HB3 ALA A 39 6.404 6.016 -0.350 1.00 0.00 H new ATOM 582 N LEU A 40 4.581 5.189 2.411 1.00 0.00 N ATOM 583 CA LEU A 40 3.376 5.674 3.062 1.00 0.00 C ATOM 584 C LEU A 40 3.329 5.144 4.497 1.00 0.00 C ATOM 585 O LEU A 40 2.977 5.875 5.421 1.00 0.00 O ATOM 586 CB LEU A 40 2.139 5.318 2.234 1.00 0.00 C ATOM 587 CG LEU A 40 2.093 5.894 0.817 1.00 0.00 C ATOM 588 CD1 LEU A 40 0.686 5.783 0.226 1.00 0.00 C ATOM 589 CD2 LEU A 40 2.613 7.333 0.792 1.00 0.00 C ATOM 0 H LEU A 40 4.508 4.248 2.025 1.00 0.00 H new ATOM 0 HA LEU A 40 3.387 6.762 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.072 4.232 2.166 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.255 5.659 2.773 1.00 0.00 H new ATOM 0 HG LEU A 40 2.756 5.302 0.186 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.681 6.199 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.389 4.735 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.016 6.336 0.851 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.569 7.718 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.996 7.954 1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.645 7.353 1.144 1.00 0.00 H new ATOM 601 N THR A 41 3.688 3.876 4.637 1.00 0.00 N ATOM 602 CA THR A 41 3.691 3.240 5.943 1.00 0.00 C ATOM 603 C THR A 41 5.125 3.053 6.443 1.00 0.00 C ATOM 604 O THR A 41 5.470 3.505 7.534 1.00 0.00 O ATOM 605 CB THR A 41 2.911 1.928 5.832 1.00 0.00 C ATOM 606 OG1 THR A 41 3.521 1.253 4.735 1.00 0.00 O ATOM 607 CG2 THR A 41 1.465 2.143 5.380 1.00 0.00 C ATOM 0 H THR A 41 3.979 3.273 3.868 1.00 0.00 H new ATOM 0 HA THR A 41 3.200 3.866 6.688 1.00 0.00 H new ATOM 0 HB THR A 41 2.918 1.419 6.796 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.168 1.611 3.894 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.956 1.181 5.318 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.950 2.780 6.099 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.457 2.622 4.401 1.00 0.00 H new ATOM 615 N GLY A 42 5.922 2.388 5.620 1.00 0.00 N ATOM 616 CA GLY A 42 7.311 2.136 5.965 1.00 0.00 C ATOM 617 C GLY A 42 7.656 0.654 5.806 1.00 0.00 C ATOM 618 O GLY A 42 8.805 0.305 5.541 1.00 0.00 O ATOM 0 H GLY A 42 5.633 2.016 4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.962 2.735 5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.496 2.448 6.993 1.00 0.00 H new ATOM 622 N VAL A 43 6.639 -0.178 5.975 1.00 0.00 N ATOM 623 CA VAL A 43 6.820 -1.615 5.853 1.00 0.00 C ATOM 624 C VAL A 43 7.161 -1.961 4.403 1.00 0.00 C ATOM 625 O VAL A 43 6.494 -1.501 3.477 1.00 0.00 O ATOM 626 CB VAL A 43 5.576 -2.344 6.365 1.00 0.00 C ATOM 627 CG1 VAL A 43 5.748 -3.861 6.261 1.00 0.00 C ATOM 628 CG2 VAL A 43 5.248 -1.927 7.800 1.00 0.00 C ATOM 0 H VAL A 43 5.687 0.115 6.195 1.00 0.00 H new ATOM 0 HA VAL A 43 7.654 -1.949 6.471 1.00 0.00 H new ATOM 0 HB VAL A 43 4.736 -2.058 5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.850 -4.355 6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.911 -4.138 5.220 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.605 -4.172 6.858 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.360 -2.460 8.140 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.088 -2.170 8.451 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.062 -0.853 7.833 1.00 0.00 H new ATOM 638 N GLN A 44 8.200 -2.769 4.249 1.00 0.00 N ATOM 639 CA GLN A 44 8.637 -3.182 2.926 1.00 0.00 C ATOM 640 C GLN A 44 7.440 -3.634 2.088 1.00 0.00 C ATOM 641 O GLN A 44 6.418 -4.051 2.632 1.00 0.00 O ATOM 642 CB GLN A 44 9.691 -4.288 3.018 1.00 0.00 C ATOM 643 CG GLN A 44 11.024 -3.734 3.524 1.00 0.00 C ATOM 644 CD GLN A 44 11.740 -2.941 2.428 1.00 0.00 C ATOM 645 OE1 GLN A 44 11.520 -3.133 1.244 1.00 0.00 O ATOM 646 NE2 GLN A 44 12.605 -2.043 2.889 1.00 0.00 N ATOM 0 H GLN A 44 8.752 -3.149 5.018 1.00 0.00 H new ATOM 0 HA GLN A 44 9.097 -2.326 2.433 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.342 -5.073 3.688 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.831 -4.744 2.038 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.851 -3.092 4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 44 11.659 -4.554 3.858 1.00 0.00 H new ATOM 0 HE21 GLN A 44 12.740 -1.934 3.894 1.00 0.00 H new ATOM 0 HE22 GLN A 44 13.133 -1.463 2.238 1.00 0.00 H new ATOM 655 N PRO A 45 7.610 -3.533 0.742 1.00 0.00 N ATOM 656 CA PRO A 45 6.555 -3.927 -0.176 1.00 0.00 C ATOM 657 C PRO A 45 6.448 -5.450 -0.269 1.00 0.00 C ATOM 658 O PRO A 45 5.619 -5.974 -1.011 1.00 0.00 O ATOM 659 CB PRO A 45 6.923 -3.276 -1.500 1.00 0.00 C ATOM 660 CG PRO A 45 8.400 -2.930 -1.398 1.00 0.00 C ATOM 661 CD PRO A 45 8.806 -3.045 0.063 1.00 0.00 C ATOM 0 HA PRO A 45 5.568 -3.601 0.153 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.737 -3.954 -2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.324 -2.383 -1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.994 -3.606 -2.014 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.582 -1.920 -1.766 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.642 -3.733 0.189 1.00 0.00 H new ATOM 0 HD3 PRO A 45 9.123 -2.082 0.463 1.00 0.00 H new ATOM 669 N ALA A 46 7.299 -6.119 0.495 1.00 0.00 N ATOM 670 CA ALA A 46 7.311 -7.571 0.509 1.00 0.00 C ATOM 671 C ALA A 46 6.583 -8.071 1.759 1.00 0.00 C ATOM 672 O ALA A 46 5.756 -8.978 1.678 1.00 0.00 O ATOM 673 CB ALA A 46 8.756 -8.071 0.437 1.00 0.00 C ATOM 0 H ALA A 46 7.986 -5.681 1.109 1.00 0.00 H new ATOM 0 HA ALA A 46 6.785 -7.967 -0.360 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.765 -9.161 0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.219 -7.713 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.314 -7.695 1.295 1.00 0.00 H new ATOM 679 N ARG A 47 6.918 -7.459 2.885 1.00 0.00 N ATOM 680 CA ARG A 47 6.307 -7.830 4.149 1.00 0.00 C ATOM 681 C ARG A 47 4.916 -7.206 4.270 1.00 0.00 C ATOM 682 O ARG A 47 4.043 -7.751 4.943 1.00 0.00 O ATOM 683 CB ARG A 47 7.167 -7.376 5.331 1.00 0.00 C ATOM 684 CG ARG A 47 8.332 -8.340 5.563 1.00 0.00 C ATOM 685 CD ARG A 47 9.299 -8.328 4.377 1.00 0.00 C ATOM 686 NE ARG A 47 10.453 -9.212 4.656 1.00 0.00 N ATOM 687 CZ ARG A 47 11.527 -9.316 3.862 1.00 0.00 C ATOM 688 NH1 ARG A 47 11.602 -8.593 2.737 1.00 0.00 N ATOM 689 NH2 ARG A 47 12.527 -10.144 4.194 1.00 0.00 N ATOM 0 H ARG A 47 7.605 -6.708 2.948 1.00 0.00 H new ATOM 0 HA ARG A 47 6.224 -8.917 4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.552 -6.374 5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.554 -7.318 6.230 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.864 -8.061 6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 47 7.949 -9.349 5.714 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.785 -8.661 3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.646 -7.312 4.190 1.00 0.00 H new ATOM 0 HE ARG A 47 10.429 -9.777 5.505 1.00 0.00 H new ATOM 0 HH11 ARG A 47 10.841 -7.963 2.484 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.420 -8.673 2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.470 -10.695 5.051 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.345 -10.224 3.590 1.00 0.00 H new ATOM 703 N GLN A 48 4.752 -6.070 3.608 1.00 0.00 N ATOM 704 CA GLN A 48 3.482 -5.365 3.632 1.00 0.00 C ATOM 705 C GLN A 48 2.350 -6.295 3.191 1.00 0.00 C ATOM 706 O GLN A 48 2.128 -6.486 1.996 1.00 0.00 O ATOM 707 CB GLN A 48 3.533 -4.111 2.757 1.00 0.00 C ATOM 708 CG GLN A 48 3.952 -2.888 3.576 1.00 0.00 C ATOM 709 CD GLN A 48 3.845 -1.609 2.744 1.00 0.00 C ATOM 710 OE1 GLN A 48 3.033 -0.735 3.001 1.00 0.00 O ATOM 711 NE2 GLN A 48 4.708 -1.547 1.733 1.00 0.00 N ATOM 0 H GLN A 48 5.479 -5.620 3.051 1.00 0.00 H new ATOM 0 HA GLN A 48 3.286 -5.046 4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.236 -4.263 1.938 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.555 -3.936 2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.321 -2.805 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.977 -3.014 3.926 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.362 -2.313 1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.716 -0.733 1.118 1.00 0.00 H new ATOM 720 N LYS A 49 1.664 -6.850 4.179 1.00 0.00 N ATOM 721 CA LYS A 49 0.561 -7.756 3.908 1.00 0.00 C ATOM 722 C LYS A 49 -0.661 -6.947 3.468 1.00 0.00 C ATOM 723 O LYS A 49 -1.443 -6.494 4.303 1.00 0.00 O ATOM 724 CB LYS A 49 0.299 -8.658 5.116 1.00 0.00 C ATOM 725 CG LYS A 49 -0.526 -9.884 4.716 1.00 0.00 C ATOM 726 CD LYS A 49 -1.023 -10.637 5.952 1.00 0.00 C ATOM 727 CE LYS A 49 -2.127 -11.629 5.582 1.00 0.00 C ATOM 728 NZ LYS A 49 -2.222 -12.701 6.598 1.00 0.00 N ATOM 0 H LYS A 49 1.851 -6.690 5.169 1.00 0.00 H new ATOM 0 HA LYS A 49 0.812 -8.427 3.087 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.247 -8.978 5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.228 -8.096 5.887 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.376 -9.573 4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.079 -10.549 4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.193 -11.168 6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -1.399 -9.927 6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.081 -11.108 5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.921 -12.064 4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.976 -13.366 6.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.316 -13.209 6.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.441 -12.283 7.525 1.00 0.00 H new ATOM 742 N VAL A 50 -0.787 -6.790 2.159 1.00 0.00 N ATOM 743 CA VAL A 50 -1.900 -6.044 1.598 1.00 0.00 C ATOM 744 C VAL A 50 -3.075 -6.994 1.357 1.00 0.00 C ATOM 745 O VAL A 50 -3.050 -7.794 0.422 1.00 0.00 O ATOM 746 CB VAL A 50 -1.454 -5.311 0.331 1.00 0.00 C ATOM 747 CG1 VAL A 50 -2.583 -4.442 -0.226 1.00 0.00 C ATOM 748 CG2 VAL A 50 -0.199 -4.477 0.594 1.00 0.00 C ATOM 0 H VAL A 50 -0.136 -7.167 1.470 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.238 -5.279 2.297 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.207 -6.061 -0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.240 -3.932 -1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.440 -5.070 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.875 -3.703 0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.097 -3.966 -0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.408 -3.740 1.369 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.609 -5.130 0.923 1.00 0.00 H new ATOM 758 N MET A 51 -4.077 -6.875 2.215 1.00 0.00 N ATOM 759 CA MET A 51 -5.259 -7.713 2.107 1.00 0.00 C ATOM 760 C MET A 51 -6.214 -7.179 1.037 1.00 0.00 C ATOM 761 O MET A 51 -6.020 -6.080 0.519 1.00 0.00 O ATOM 762 CB MET A 51 -5.979 -7.758 3.456 1.00 0.00 C ATOM 763 CG MET A 51 -5.522 -8.963 4.281 1.00 0.00 C ATOM 764 SD MET A 51 -6.858 -10.136 4.438 1.00 0.00 S ATOM 765 CE MET A 51 -6.939 -10.741 2.760 1.00 0.00 C ATOM 0 H MET A 51 -4.095 -6.210 2.989 1.00 0.00 H new ATOM 0 HA MET A 51 -4.944 -8.716 1.819 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.782 -6.839 4.008 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.056 -7.810 3.296 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.665 -9.437 3.803 1.00 0.00 H new ATOM 0 HG3 MET A 51 -5.196 -8.636 5.268 1.00 0.00 H new ATOM 0 HE1 MET A 51 -7.846 -10.370 2.283 1.00 0.00 H new ATOM 0 HE2 MET A 51 -6.068 -10.392 2.205 1.00 0.00 H new ATOM 0 HE3 MET A 51 -6.953 -11.831 2.766 1.00 0.00 H new ATOM 775 N VAL A 52 -7.225 -7.981 0.737 1.00 0.00 N ATOM 776 CA VAL A 52 -8.210 -7.603 -0.262 1.00 0.00 C ATOM 777 C VAL A 52 -9.610 -7.935 0.258 1.00 0.00 C ATOM 778 O VAL A 52 -9.768 -8.797 1.122 1.00 0.00 O ATOM 779 CB VAL A 52 -7.891 -8.283 -1.595 1.00 0.00 C ATOM 780 CG1 VAL A 52 -8.748 -7.706 -2.723 1.00 0.00 C ATOM 781 CG2 VAL A 52 -6.401 -8.170 -1.925 1.00 0.00 C ATOM 0 H VAL A 52 -7.383 -8.892 1.169 1.00 0.00 H new ATOM 0 HA VAL A 52 -8.177 -6.529 -0.444 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.133 -9.341 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.502 -8.206 -3.659 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.802 -7.862 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.551 -6.638 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.201 -8.661 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.122 -7.118 -1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.817 -8.650 -1.140 1.00 0.00 H new ATOM 791 N LYS A 53 -10.591 -7.232 -0.289 1.00 0.00 N ATOM 792 CA LYS A 53 -11.973 -7.441 0.109 1.00 0.00 C ATOM 793 C LYS A 53 -12.185 -8.919 0.445 1.00 0.00 C ATOM 794 O LYS A 53 -12.912 -9.248 1.381 1.00 0.00 O ATOM 795 CB LYS A 53 -12.926 -6.912 -0.965 1.00 0.00 C ATOM 796 CG LYS A 53 -12.790 -5.396 -1.120 1.00 0.00 C ATOM 797 CD LYS A 53 -14.160 -4.736 -1.283 1.00 0.00 C ATOM 798 CE LYS A 53 -14.427 -3.740 -0.153 1.00 0.00 C ATOM 799 NZ LYS A 53 -15.764 -3.125 -0.310 1.00 0.00 N ATOM 0 H LYS A 53 -10.456 -6.517 -1.004 1.00 0.00 H new ATOM 0 HA LYS A 53 -12.199 -6.873 1.011 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.713 -7.399 -1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.953 -7.163 -0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.284 -4.982 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.168 -5.170 -1.986 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.208 -4.223 -2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -14.937 -5.500 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -14.364 -4.248 0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.661 -2.965 -0.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.930 -2.452 0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -15.811 -2.624 -1.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -16.492 -3.867 -0.285 1.00 0.00 H new ATOM 813 N GLY A 54 -11.537 -9.769 -0.337 1.00 0.00 N ATOM 814 CA GLY A 54 -11.645 -11.204 -0.134 1.00 0.00 C ATOM 815 C GLY A 54 -10.493 -11.943 -0.818 1.00 0.00 C ATOM 816 O GLY A 54 -10.700 -12.983 -1.441 1.00 0.00 O ATOM 0 H GLY A 54 -10.935 -9.492 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -11.641 -11.425 0.933 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -12.596 -11.560 -0.530 1.00 0.00 H new ATOM 820 N GLY A 55 -9.303 -11.376 -0.679 1.00 0.00 N ATOM 821 CA GLY A 55 -8.118 -11.968 -1.275 1.00 0.00 C ATOM 822 C GLY A 55 -6.855 -11.222 -0.842 1.00 0.00 C ATOM 823 O GLY A 55 -6.902 -10.385 0.059 1.00 0.00 O ATOM 0 H GLY A 55 -9.135 -10.513 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -8.044 -13.015 -0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.203 -11.946 -2.361 1.00 0.00 H new ATOM 827 N THR A 56 -5.754 -11.552 -1.502 1.00 0.00 N ATOM 828 CA THR A 56 -4.481 -10.923 -1.196 1.00 0.00 C ATOM 829 C THR A 56 -3.835 -10.379 -2.472 1.00 0.00 C ATOM 830 O THR A 56 -3.998 -10.951 -3.548 1.00 0.00 O ATOM 831 CB THR A 56 -3.611 -11.948 -0.464 1.00 0.00 C ATOM 832 OG1 THR A 56 -4.352 -12.253 0.714 1.00 0.00 O ATOM 833 CG2 THR A 56 -2.308 -11.341 0.061 1.00 0.00 C ATOM 0 H THR A 56 -5.718 -12.247 -2.248 1.00 0.00 H new ATOM 0 HA THR A 56 -4.613 -10.061 -0.542 1.00 0.00 H new ATOM 0 HB THR A 56 -3.381 -12.775 -1.135 1.00 0.00 H new ATOM 0 HG1 THR A 56 -3.861 -12.912 1.248 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.728 -12.110 0.572 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.729 -10.944 -0.773 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.537 -10.536 0.759 1.00 0.00 H new ATOM 841 N LEU A 57 -3.114 -9.279 -2.309 1.00 0.00 N ATOM 842 CA LEU A 57 -2.443 -8.650 -3.434 1.00 0.00 C ATOM 843 C LEU A 57 -1.213 -9.477 -3.815 1.00 0.00 C ATOM 844 O LEU A 57 -0.325 -9.691 -2.990 1.00 0.00 O ATOM 845 CB LEU A 57 -2.127 -7.187 -3.120 1.00 0.00 C ATOM 846 CG LEU A 57 -2.621 -6.160 -4.141 1.00 0.00 C ATOM 847 CD1 LEU A 57 -1.972 -4.795 -3.905 1.00 0.00 C ATOM 848 CD2 LEU A 57 -2.402 -6.659 -5.571 1.00 0.00 C ATOM 0 H LEU A 57 -2.980 -8.807 -1.415 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.097 -8.630 -4.305 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.560 -6.943 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.046 -7.082 -3.022 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.695 -6.033 -4.005 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.341 -4.084 -4.644 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.222 -4.441 -2.905 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.890 -4.886 -3.997 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.762 -5.910 -6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.339 -6.833 -5.737 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.949 -7.590 -5.719 1.00 0.00 H new ATOM 860 N LYS A 58 -1.200 -9.919 -5.064 1.00 0.00 N ATOM 861 CA LYS A 58 -0.093 -10.717 -5.563 1.00 0.00 C ATOM 862 C LYS A 58 1.148 -9.833 -5.699 1.00 0.00 C ATOM 863 O LYS A 58 1.150 -8.688 -5.249 1.00 0.00 O ATOM 864 CB LYS A 58 -0.488 -11.426 -6.860 1.00 0.00 C ATOM 865 CG LYS A 58 -1.350 -12.657 -6.572 1.00 0.00 C ATOM 866 CD LYS A 58 -1.577 -13.477 -7.844 1.00 0.00 C ATOM 867 CE LYS A 58 -2.827 -14.351 -7.717 1.00 0.00 C ATOM 868 NZ LYS A 58 -2.462 -15.785 -7.747 1.00 0.00 N ATOM 0 H LYS A 58 -1.938 -9.740 -5.745 1.00 0.00 H new ATOM 0 HA LYS A 58 0.156 -11.508 -4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.035 -10.737 -7.503 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.409 -11.725 -7.403 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.865 -13.276 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.310 -12.345 -6.160 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.682 -12.808 -8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.707 -14.105 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.346 -14.121 -6.786 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.518 -14.128 -8.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.322 -16.364 -7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.987 -16.004 -8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.820 -15.997 -6.956 1.00 0.00 H new ATOM 882 N ASP A 59 2.173 -10.398 -6.320 1.00 0.00 N ATOM 883 CA ASP A 59 3.417 -9.675 -6.520 1.00 0.00 C ATOM 884 C ASP A 59 3.800 -9.728 -8.000 1.00 0.00 C ATOM 885 O ASP A 59 4.184 -8.715 -8.583 1.00 0.00 O ATOM 886 CB ASP A 59 4.555 -10.304 -5.714 1.00 0.00 C ATOM 887 CG ASP A 59 4.650 -11.828 -5.810 1.00 0.00 C ATOM 888 OD1 ASP A 59 3.969 -12.491 -4.999 1.00 0.00 O ATOM 889 OD2 ASP A 59 5.402 -12.295 -6.693 1.00 0.00 O ATOM 0 H ASP A 59 2.167 -11.348 -6.691 1.00 0.00 H new ATOM 0 HA ASP A 59 3.267 -8.647 -6.190 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.499 -9.874 -6.050 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.434 -10.028 -4.667 1.00 0.00 H new ATOM 894 N ASP A 60 3.684 -10.920 -8.567 1.00 0.00 N ATOM 895 CA ASP A 60 4.013 -11.119 -9.968 1.00 0.00 C ATOM 896 C ASP A 60 3.101 -10.245 -10.831 1.00 0.00 C ATOM 897 O ASP A 60 3.579 -9.417 -11.605 1.00 0.00 O ATOM 898 CB ASP A 60 3.802 -12.576 -10.382 1.00 0.00 C ATOM 899 CG ASP A 60 4.997 -13.231 -11.077 1.00 0.00 C ATOM 900 OD1 ASP A 60 5.530 -12.594 -12.011 1.00 0.00 O ATOM 901 OD2 ASP A 60 5.352 -14.354 -10.658 1.00 0.00 O ATOM 0 H ASP A 60 3.366 -11.758 -8.081 1.00 0.00 H new ATOM 0 HA ASP A 60 5.060 -10.852 -10.109 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.554 -13.158 -9.494 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.941 -12.627 -11.048 1.00 0.00 H new ATOM 906 N ASP A 61 1.803 -10.458 -10.668 1.00 0.00 N ATOM 907 CA ASP A 61 0.819 -9.701 -11.422 1.00 0.00 C ATOM 908 C ASP A 61 -0.508 -9.697 -10.662 1.00 0.00 C ATOM 909 O ASP A 61 -0.711 -10.504 -9.756 1.00 0.00 O ATOM 910 CB ASP A 61 0.576 -10.329 -12.796 1.00 0.00 C ATOM 911 CG ASP A 61 1.828 -10.508 -13.657 1.00 0.00 C ATOM 912 OD1 ASP A 61 2.472 -11.569 -13.506 1.00 0.00 O ATOM 913 OD2 ASP A 61 2.112 -9.581 -14.445 1.00 0.00 O ATOM 0 H ASP A 61 1.410 -11.145 -10.024 1.00 0.00 H new ATOM 0 HA ASP A 61 1.200 -8.688 -11.551 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.108 -11.303 -12.656 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.136 -9.709 -13.341 1.00 0.00 H new ATOM 918 N TRP A 62 -1.378 -8.779 -11.058 1.00 0.00 N ATOM 919 CA TRP A 62 -2.680 -8.660 -10.425 1.00 0.00 C ATOM 920 C TRP A 62 -3.514 -9.879 -10.825 1.00 0.00 C ATOM 921 O TRP A 62 -3.918 -10.666 -9.970 1.00 0.00 O ATOM 922 CB TRP A 62 -3.348 -7.333 -10.791 1.00 0.00 C ATOM 923 CG TRP A 62 -2.622 -6.100 -10.250 1.00 0.00 C ATOM 924 CD1 TRP A 62 -1.493 -5.541 -10.707 1.00 0.00 C ATOM 925 CD2 TRP A 62 -3.022 -5.292 -9.123 1.00 0.00 C ATOM 926 NE1 TRP A 62 -1.138 -4.436 -9.961 1.00 0.00 N ATOM 927 CE2 TRP A 62 -2.097 -4.279 -8.967 1.00 0.00 C ATOM 928 CE3 TRP A 62 -4.129 -5.412 -8.265 1.00 0.00 C ATOM 929 CZ2 TRP A 62 -2.185 -3.310 -7.961 1.00 0.00 C ATOM 930 CZ3 TRP A 62 -4.202 -4.435 -7.265 1.00 0.00 C ATOM 931 CH2 TRP A 62 -3.280 -3.410 -7.094 1.00 0.00 C ATOM 0 H TRP A 62 -1.206 -8.111 -11.809 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.581 -8.647 -9.340 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -3.411 -7.257 -11.877 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -4.370 -7.336 -10.412 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.932 -5.909 -11.553 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -0.322 -3.843 -10.111 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -4.865 -6.196 -8.369 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -1.448 -2.527 -7.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -5.034 -4.481 -6.578 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -3.407 -2.694 -6.296 1.00 0.00 H new ATOM 942 N GLY A 63 -3.746 -9.998 -12.124 1.00 0.00 N ATOM 943 CA GLY A 63 -4.524 -11.108 -12.647 1.00 0.00 C ATOM 944 C GLY A 63 -6.010 -10.750 -12.719 1.00 0.00 C ATOM 945 O GLY A 63 -6.847 -11.445 -12.146 1.00 0.00 O ATOM 0 H GLY A 63 -3.409 -9.344 -12.830 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.162 -11.375 -13.640 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.387 -11.984 -12.012 1.00 0.00 H new ATOM 949 N ASN A 64 -6.291 -9.667 -13.428 1.00 0.00 N ATOM 950 CA ASN A 64 -7.661 -9.209 -13.582 1.00 0.00 C ATOM 951 C ASN A 64 -8.346 -9.192 -12.214 1.00 0.00 C ATOM 952 O ASN A 64 -9.300 -9.933 -11.984 1.00 0.00 O ATOM 953 CB ASN A 64 -8.455 -10.144 -14.497 1.00 0.00 C ATOM 954 CG ASN A 64 -8.254 -9.774 -15.967 1.00 0.00 C ATOM 955 OD1 ASN A 64 -7.210 -9.293 -16.376 1.00 0.00 O ATOM 956 ND2 ASN A 64 -9.310 -10.023 -16.737 1.00 0.00 N ATOM 0 H ASN A 64 -5.593 -9.093 -13.902 1.00 0.00 H new ATOM 0 HA ASN A 64 -7.635 -8.211 -14.020 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.140 -11.174 -14.331 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.514 -10.090 -14.246 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.276 -9.810 -17.734 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -10.154 -10.427 -16.330 1.00 0.00 H new ATOM 963 N ILE A 65 -7.832 -8.338 -11.341 1.00 0.00 N ATOM 964 CA ILE A 65 -8.382 -8.214 -10.002 1.00 0.00 C ATOM 965 C ILE A 65 -9.572 -7.253 -10.030 1.00 0.00 C ATOM 966 O ILE A 65 -9.521 -6.216 -10.690 1.00 0.00 O ATOM 967 CB ILE A 65 -7.290 -7.811 -9.009 1.00 0.00 C ATOM 968 CG1 ILE A 65 -6.233 -8.910 -8.880 1.00 0.00 C ATOM 969 CG2 ILE A 65 -7.892 -7.433 -7.655 1.00 0.00 C ATOM 970 CD1 ILE A 65 -5.166 -8.527 -7.854 1.00 0.00 C ATOM 0 H ILE A 65 -7.040 -7.725 -11.535 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.757 -9.177 -9.655 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.787 -6.925 -9.396 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.709 -9.844 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.765 -9.085 -9.849 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -7.094 -7.151 -6.968 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -8.575 -6.593 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -8.436 -8.285 -7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.427 -9.325 -7.782 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.675 -7.605 -8.166 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.634 -8.377 -6.881 1.00 0.00 H new ATOM 982 N LYS A 66 -10.615 -7.633 -9.307 1.00 0.00 N ATOM 983 CA LYS A 66 -11.816 -6.817 -9.241 1.00 0.00 C ATOM 984 C LYS A 66 -11.536 -5.572 -8.399 1.00 0.00 C ATOM 985 O LYS A 66 -11.875 -5.528 -7.217 1.00 0.00 O ATOM 986 CB LYS A 66 -13.000 -7.647 -8.739 1.00 0.00 C ATOM 987 CG LYS A 66 -13.604 -8.482 -9.869 1.00 0.00 C ATOM 988 CD LYS A 66 -14.805 -7.770 -10.496 1.00 0.00 C ATOM 989 CE LYS A 66 -15.733 -8.768 -11.190 1.00 0.00 C ATOM 990 NZ LYS A 66 -17.144 -8.497 -10.836 1.00 0.00 N ATOM 0 H LYS A 66 -10.654 -8.494 -8.762 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.098 -6.472 -10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -12.672 -8.303 -7.933 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -13.761 -6.987 -8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.848 -8.668 -10.632 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -13.913 -9.453 -9.483 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.356 -7.231 -9.725 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -14.458 -7.029 -11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -15.604 -8.703 -12.270 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.467 -9.784 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.760 -9.184 -11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.266 -8.582 -9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.399 -7.534 -11.136 1.00 0.00 H new ATOM 1004 N MET A 67 -10.920 -4.589 -9.039 1.00 0.00 N ATOM 1005 CA MET A 67 -10.590 -3.346 -8.363 1.00 0.00 C ATOM 1006 C MET A 67 -11.599 -2.249 -8.711 1.00 0.00 C ATOM 1007 O MET A 67 -12.071 -2.171 -9.844 1.00 0.00 O ATOM 1008 CB MET A 67 -9.186 -2.898 -8.774 1.00 0.00 C ATOM 1009 CG MET A 67 -8.147 -3.967 -8.431 1.00 0.00 C ATOM 1010 SD MET A 67 -7.806 -3.947 -6.679 1.00 0.00 S ATOM 1011 CE MET A 67 -6.907 -2.409 -6.557 1.00 0.00 C ATOM 0 H MET A 67 -10.641 -4.628 -10.019 1.00 0.00 H new ATOM 0 HA MET A 67 -10.625 -3.518 -7.287 1.00 0.00 H new ATOM 0 HB2 MET A 67 -9.164 -2.695 -9.845 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.935 -1.966 -8.268 1.00 0.00 H new ATOM 0 HG2 MET A 67 -8.513 -4.950 -8.727 1.00 0.00 H new ATOM 0 HG3 MET A 67 -7.229 -3.787 -8.991 1.00 0.00 H new ATOM 0 HE1 MET A 67 -6.280 -2.424 -5.666 1.00 0.00 H new ATOM 0 HE2 MET A 67 -6.280 -2.283 -7.440 1.00 0.00 H new ATOM 0 HE3 MET A 67 -7.612 -1.580 -6.491 1.00 0.00 H new ATOM 1021 N LYS A 68 -11.899 -1.428 -7.715 1.00 0.00 N ATOM 1022 CA LYS A 68 -12.842 -0.339 -7.901 1.00 0.00 C ATOM 1023 C LYS A 68 -12.302 0.921 -7.221 1.00 0.00 C ATOM 1024 O LYS A 68 -11.588 0.833 -6.223 1.00 0.00 O ATOM 1025 CB LYS A 68 -14.235 -0.748 -7.420 1.00 0.00 C ATOM 1026 CG LYS A 68 -14.199 -1.203 -5.959 1.00 0.00 C ATOM 1027 CD LYS A 68 -15.282 -2.248 -5.683 1.00 0.00 C ATOM 1028 CE LYS A 68 -14.878 -3.616 -6.236 1.00 0.00 C ATOM 1029 NZ LYS A 68 -15.761 -4.674 -5.697 1.00 0.00 N ATOM 0 H LYS A 68 -11.505 -1.496 -6.776 1.00 0.00 H new ATOM 0 HA LYS A 68 -12.951 -0.108 -8.961 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -14.921 0.092 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.618 -1.554 -8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.219 -1.620 -5.728 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.342 -0.344 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -15.455 -2.323 -4.609 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.221 -1.932 -6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.935 -3.606 -7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -13.842 -3.830 -5.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.473 -5.596 -6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.686 -4.694 -4.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.745 -4.477 -5.969 1.00 0.00 H new ATOM 1043 N ASN A 69 -12.663 2.062 -7.787 1.00 0.00 N ATOM 1044 CA ASN A 69 -12.224 3.338 -7.248 1.00 0.00 C ATOM 1045 C ASN A 69 -13.121 3.725 -6.071 1.00 0.00 C ATOM 1046 O ASN A 69 -14.260 4.148 -6.267 1.00 0.00 O ATOM 1047 CB ASN A 69 -12.320 4.444 -8.300 1.00 0.00 C ATOM 1048 CG ASN A 69 -12.131 3.878 -9.709 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -12.800 2.947 -10.127 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -11.185 4.490 -10.415 1.00 0.00 N ATOM 0 H ASN A 69 -13.255 2.130 -8.615 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.186 3.231 -6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -13.290 4.935 -8.229 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -11.563 5.203 -8.105 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.982 4.186 -11.367 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.662 5.263 -10.004 1.00 0.00 H new ATOM 1057 N GLY A 70 -12.575 3.567 -4.874 1.00 0.00 N ATOM 1058 CA GLY A 70 -13.312 3.896 -3.666 1.00 0.00 C ATOM 1059 C GLY A 70 -13.124 2.815 -2.599 1.00 0.00 C ATOM 1060 O GLY A 70 -13.260 3.086 -1.406 1.00 0.00 O ATOM 0 H GLY A 70 -11.631 3.215 -4.715 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.973 4.857 -3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.371 4.002 -3.899 1.00 0.00 H new ATOM 1064 N MET A 71 -12.815 1.615 -3.065 1.00 0.00 N ATOM 1065 CA MET A 71 -12.607 0.493 -2.166 1.00 0.00 C ATOM 1066 C MET A 71 -11.581 0.839 -1.085 1.00 0.00 C ATOM 1067 O MET A 71 -11.027 1.938 -1.079 1.00 0.00 O ATOM 1068 CB MET A 71 -12.119 -0.718 -2.964 1.00 0.00 C ATOM 1069 CG MET A 71 -10.638 -0.576 -3.324 1.00 0.00 C ATOM 1070 SD MET A 71 -9.684 -1.832 -2.489 1.00 0.00 S ATOM 1071 CE MET A 71 -10.463 -3.299 -3.141 1.00 0.00 C ATOM 0 H MET A 71 -12.703 1.395 -4.055 1.00 0.00 H new ATOM 0 HA MET A 71 -13.555 0.261 -1.680 1.00 0.00 H new ATOM 0 HB2 MET A 71 -12.270 -1.627 -2.382 1.00 0.00 H new ATOM 0 HB3 MET A 71 -12.710 -0.821 -3.874 1.00 0.00 H new ATOM 0 HG2 MET A 71 -10.507 -0.665 -4.402 1.00 0.00 H new ATOM 0 HG3 MET A 71 -10.279 0.413 -3.040 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.908 -4.180 -2.818 1.00 0.00 H new ATOM 0 HE2 MET A 71 -11.487 -3.361 -2.773 1.00 0.00 H new ATOM 0 HE3 MET A 71 -10.470 -3.254 -4.230 1.00 0.00 H new ATOM 1081 N THR A 72 -11.359 -0.118 -0.196 1.00 0.00 N ATOM 1082 CA THR A 72 -10.410 0.073 0.887 1.00 0.00 C ATOM 1083 C THR A 72 -9.356 -1.036 0.874 1.00 0.00 C ATOM 1084 O THR A 72 -9.678 -2.200 0.641 1.00 0.00 O ATOM 1085 CB THR A 72 -11.197 0.148 2.198 1.00 0.00 C ATOM 1086 OG1 THR A 72 -11.501 1.532 2.341 1.00 0.00 O ATOM 1087 CG2 THR A 72 -10.332 -0.173 3.419 1.00 0.00 C ATOM 0 H THR A 72 -11.820 -1.028 -0.204 1.00 0.00 H new ATOM 0 HA THR A 72 -9.858 1.005 0.769 1.00 0.00 H new ATOM 0 HB THR A 72 -12.038 -0.544 2.157 1.00 0.00 H new ATOM 0 HG1 THR A 72 -12.012 1.671 3.165 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.938 -0.106 4.322 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.931 -1.182 3.326 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.510 0.540 3.480 1.00 0.00 H new ATOM 1095 N VAL A 73 -8.119 -0.636 1.128 1.00 0.00 N ATOM 1096 CA VAL A 73 -7.016 -1.582 1.148 1.00 0.00 C ATOM 1097 C VAL A 73 -6.496 -1.722 2.580 1.00 0.00 C ATOM 1098 O VAL A 73 -6.130 -0.732 3.211 1.00 0.00 O ATOM 1099 CB VAL A 73 -5.933 -1.143 0.159 1.00 0.00 C ATOM 1100 CG1 VAL A 73 -4.626 -1.899 0.407 1.00 0.00 C ATOM 1101 CG2 VAL A 73 -6.404 -1.322 -1.285 1.00 0.00 C ATOM 0 H VAL A 73 -7.856 0.330 1.322 1.00 0.00 H new ATOM 0 HA VAL A 73 -7.352 -2.568 0.826 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.742 -0.082 0.320 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.873 -1.569 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.276 -1.699 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.796 -2.969 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.616 -1.003 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.636 -2.372 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.296 -0.719 -1.454 1.00 0.00 H new ATOM 1111 N LEU A 74 -6.481 -2.961 3.051 1.00 0.00 N ATOM 1112 CA LEU A 74 -6.012 -3.244 4.397 1.00 0.00 C ATOM 1113 C LEU A 74 -4.571 -3.752 4.334 1.00 0.00 C ATOM 1114 O LEU A 74 -4.276 -4.706 3.615 1.00 0.00 O ATOM 1115 CB LEU A 74 -6.972 -4.200 5.108 1.00 0.00 C ATOM 1116 CG LEU A 74 -6.901 -4.207 6.636 1.00 0.00 C ATOM 1117 CD1 LEU A 74 -5.466 -4.423 7.118 1.00 0.00 C ATOM 1118 CD2 LEU A 74 -7.516 -2.933 7.219 1.00 0.00 C ATOM 0 H LEU A 74 -6.786 -3.780 2.525 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.003 -2.334 4.997 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.990 -3.947 4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.778 -5.211 4.750 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.492 -5.047 7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.444 -4.424 8.208 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.098 -5.380 6.747 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.831 -3.620 6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -7.453 -2.963 8.307 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -6.973 -2.064 6.848 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.561 -2.863 6.918 1.00 0.00 H new ATOM 1130 N MET A 75 -3.711 -3.093 5.096 1.00 0.00 N ATOM 1131 CA MET A 75 -2.307 -3.467 5.136 1.00 0.00 C ATOM 1132 C MET A 75 -1.911 -3.961 6.529 1.00 0.00 C ATOM 1133 O MET A 75 -2.438 -3.486 7.534 1.00 0.00 O ATOM 1134 CB MET A 75 -1.446 -2.260 4.759 1.00 0.00 C ATOM 1135 CG MET A 75 -0.018 -2.690 4.420 1.00 0.00 C ATOM 1136 SD MET A 75 0.999 -2.638 5.886 1.00 0.00 S ATOM 1137 CE MET A 75 1.847 -1.090 5.620 1.00 0.00 C ATOM 0 H MET A 75 -3.959 -2.302 5.691 1.00 0.00 H new ATOM 0 HA MET A 75 -2.146 -4.276 4.424 1.00 0.00 H new ATOM 0 HB2 MET A 75 -1.887 -1.746 3.905 1.00 0.00 H new ATOM 0 HB3 MET A 75 -1.429 -1.549 5.585 1.00 0.00 H new ATOM 0 HG2 MET A 75 -0.022 -3.698 4.005 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.397 -2.033 3.656 1.00 0.00 H new ATOM 0 HE1 MET A 75 2.907 -1.280 5.450 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.424 -0.588 4.750 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.729 -0.455 6.498 1.00 0.00 H new ATOM 1147 N MET A 76 -0.985 -4.909 6.544 1.00 0.00 N ATOM 1148 CA MET A 76 -0.512 -5.472 7.797 1.00 0.00 C ATOM 1149 C MET A 76 0.974 -5.827 7.712 1.00 0.00 C ATOM 1150 O MET A 76 1.396 -6.536 6.799 1.00 0.00 O ATOM 1151 CB MET A 76 -1.319 -6.729 8.129 1.00 0.00 C ATOM 1152 CG MET A 76 -2.662 -6.365 8.765 1.00 0.00 C ATOM 1153 SD MET A 76 -2.711 -6.933 10.457 1.00 0.00 S ATOM 1154 CE MET A 76 -2.233 -5.434 11.300 1.00 0.00 C ATOM 0 H MET A 76 -0.550 -5.301 5.709 1.00 0.00 H new ATOM 0 HA MET A 76 -0.644 -4.727 8.581 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.487 -7.308 7.221 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.750 -7.362 8.810 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.809 -5.286 8.731 1.00 0.00 H new ATOM 0 HG3 MET A 76 -3.476 -6.816 8.198 1.00 0.00 H new ATOM 0 HE1 MET A 76 -2.213 -5.612 12.375 1.00 0.00 H new ATOM 0 HE2 MET A 76 -1.242 -5.128 10.964 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.952 -4.646 11.076 1.00 0.00 H new ATOM 1164 N GLY A 77 1.728 -5.319 8.676 1.00 0.00 N ATOM 1165 CA GLY A 77 3.157 -5.574 8.722 1.00 0.00 C ATOM 1166 C GLY A 77 3.867 -4.558 9.619 1.00 0.00 C ATOM 1167 O GLY A 77 3.243 -3.622 10.117 1.00 0.00 O ATOM 0 H GLY A 77 1.375 -4.732 9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 77 3.338 -6.582 9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.571 -5.527 7.715 1.00 0.00 H new ATOM 1171 N SER A 78 5.161 -4.777 9.799 1.00 0.00 N ATOM 1172 CA SER A 78 5.962 -3.893 10.628 1.00 0.00 C ATOM 1173 C SER A 78 7.264 -3.536 9.907 1.00 0.00 C ATOM 1174 O SER A 78 7.699 -4.259 9.012 1.00 0.00 O ATOM 1175 CB SER A 78 6.265 -4.533 11.984 1.00 0.00 C ATOM 1176 OG SER A 78 5.394 -4.055 13.006 1.00 0.00 O ATOM 0 H SER A 78 5.675 -5.554 9.385 1.00 0.00 H new ATOM 0 HA SER A 78 5.391 -2.982 10.806 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.170 -5.616 11.903 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.298 -4.324 12.261 1.00 0.00 H new ATOM 0 HG SER A 78 5.618 -4.488 13.856 1.00 0.00 H new ATOM 1182 N ALA A 79 7.848 -2.423 10.324 1.00 0.00 N ATOM 1183 CA ALA A 79 9.091 -1.962 9.730 1.00 0.00 C ATOM 1184 C ALA A 79 10.142 -1.785 10.827 1.00 0.00 C ATOM 1185 O ALA A 79 10.151 -0.773 11.526 1.00 0.00 O ATOM 1186 CB ALA A 79 8.837 -0.668 8.953 1.00 0.00 C ATOM 0 H ALA A 79 7.483 -1.826 11.067 1.00 0.00 H new ATOM 0 HA ALA A 79 9.473 -2.698 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 79 9.770 -0.322 8.507 1.00 0.00 H new ATOM 0 HB2 ALA A 79 8.106 -0.854 8.166 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.454 0.095 9.631 1.00 0.00 H new ATOM 1192 N ASP A 80 11.002 -2.786 10.945 1.00 0.00 N ATOM 1193 CA ASP A 80 12.055 -2.754 11.946 1.00 0.00 C ATOM 1194 C ASP A 80 13.415 -2.856 11.253 1.00 0.00 C ATOM 1195 O ASP A 80 13.837 -3.943 10.863 1.00 0.00 O ATOM 1196 CB ASP A 80 11.929 -3.932 12.915 1.00 0.00 C ATOM 1197 CG ASP A 80 11.494 -5.252 12.276 1.00 0.00 C ATOM 1198 OD1 ASP A 80 11.991 -5.535 11.165 1.00 0.00 O ATOM 1199 OD2 ASP A 80 10.674 -5.947 12.913 1.00 0.00 O ATOM 0 H ASP A 80 10.991 -3.624 10.364 1.00 0.00 H new ATOM 0 HA ASP A 80 11.966 -1.819 12.500 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.890 -4.083 13.406 1.00 0.00 H new ATOM 0 HB3 ASP A 80 11.212 -3.668 13.692 1.00 0.00 H new ATOM 1204 N ALA A 81 14.063 -1.707 11.121 1.00 0.00 N ATOM 1205 CA ALA A 81 15.367 -1.653 10.482 1.00 0.00 C ATOM 1206 C ALA A 81 16.219 -0.580 11.162 1.00 0.00 C ATOM 1207 O ALA A 81 15.694 0.283 11.863 1.00 0.00 O ATOM 1208 CB ALA A 81 15.191 -1.395 8.984 1.00 0.00 C ATOM 0 H ALA A 81 13.709 -0.807 11.446 1.00 0.00 H new ATOM 0 HA ALA A 81 15.887 -2.605 10.590 1.00 0.00 H new ATOM 0 HB1 ALA A 81 16.169 -1.354 8.504 1.00 0.00 H new ATOM 0 HB2 ALA A 81 14.604 -2.200 8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 81 14.675 -0.446 8.836 1.00 0.00 H new ATOM 1214 N LEU A 82 17.521 -0.671 10.932 1.00 0.00 N ATOM 1215 CA LEU A 82 18.452 0.282 11.514 1.00 0.00 C ATOM 1216 C LEU A 82 18.616 1.472 10.567 1.00 0.00 C ATOM 1217 O LEU A 82 18.568 1.311 9.349 1.00 0.00 O ATOM 1218 CB LEU A 82 19.770 -0.407 11.871 1.00 0.00 C ATOM 1219 CG LEU A 82 19.934 -0.828 13.333 1.00 0.00 C ATOM 1220 CD1 LEU A 82 20.752 -2.116 13.445 1.00 0.00 C ATOM 1221 CD2 LEU A 82 20.533 0.307 14.166 1.00 0.00 C ATOM 0 H LEU A 82 17.953 -1.389 10.351 1.00 0.00 H new ATOM 0 HA LEU A 82 18.060 0.674 12.452 1.00 0.00 H new ATOM 0 HB2 LEU A 82 19.875 -1.293 11.245 1.00 0.00 H new ATOM 0 HB3 LEU A 82 20.589 0.264 11.613 1.00 0.00 H new ATOM 0 HG LEU A 82 18.945 -1.039 13.741 1.00 0.00 H new ATOM 0 HD11 LEU A 82 20.853 -2.393 14.494 1.00 0.00 H new ATOM 0 HD12 LEU A 82 20.246 -2.917 12.906 1.00 0.00 H new ATOM 0 HD13 LEU A 82 21.741 -1.958 13.014 1.00 0.00 H new ATOM 0 HD21 LEU A 82 20.639 -0.018 15.201 1.00 0.00 H new ATOM 0 HD22 LEU A 82 21.512 0.574 13.767 1.00 0.00 H new ATOM 0 HD23 LEU A 82 19.875 1.175 14.124 1.00 0.00 H new ATOM 1233 N PRO A 83 18.811 2.671 11.179 1.00 0.00 N ATOM 1234 CA PRO A 83 18.983 3.887 10.404 1.00 0.00 C ATOM 1235 C PRO A 83 20.376 3.943 9.773 1.00 0.00 C ATOM 1236 O PRO A 83 21.186 4.800 10.123 1.00 0.00 O ATOM 1237 CB PRO A 83 18.730 5.019 11.386 1.00 0.00 C ATOM 1238 CG PRO A 83 18.884 4.411 12.771 1.00 0.00 C ATOM 1239 CD PRO A 83 18.874 2.899 12.620 1.00 0.00 C ATOM 0 HA PRO A 83 18.296 3.948 9.560 1.00 0.00 H new ATOM 0 HB2 PRO A 83 19.440 5.833 11.235 1.00 0.00 H new ATOM 0 HB3 PRO A 83 17.732 5.437 11.252 1.00 0.00 H new ATOM 0 HG2 PRO A 83 19.814 4.742 13.232 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.072 4.735 13.422 1.00 0.00 H new ATOM 0 HD2 PRO A 83 19.769 2.452 13.053 1.00 0.00 H new ATOM 0 HD3 PRO A 83 18.018 2.456 13.129 1.00 0.00 H new ATOM 1247 N GLU A 84 20.611 3.019 8.853 1.00 0.00 N ATOM 1248 CA GLU A 84 21.892 2.952 8.170 1.00 0.00 C ATOM 1249 C GLU A 84 21.704 2.449 6.737 1.00 0.00 C ATOM 1250 O GLU A 84 21.765 1.247 6.485 1.00 0.00 O ATOM 1251 CB GLU A 84 22.877 2.068 8.937 1.00 0.00 C ATOM 1252 CG GLU A 84 24.226 2.770 9.107 1.00 0.00 C ATOM 1253 CD GLU A 84 25.290 2.139 8.207 1.00 0.00 C ATOM 1254 OE1 GLU A 84 24.978 1.939 7.013 1.00 0.00 O ATOM 1255 OE2 GLU A 84 26.392 1.870 8.733 1.00 0.00 O ATOM 0 H GLU A 84 19.936 2.311 8.565 1.00 0.00 H new ATOM 0 HA GLU A 84 22.313 3.957 8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 84 22.465 1.823 9.916 1.00 0.00 H new ATOM 0 HB3 GLU A 84 23.017 1.127 8.405 1.00 0.00 H new ATOM 0 HG2 GLU A 84 24.122 3.828 8.866 1.00 0.00 H new ATOM 0 HG3 GLU A 84 24.543 2.709 10.148 1.00 0.00 H new ATOM 1262 N GLU A 85 21.479 3.394 5.837 1.00 0.00 N ATOM 1263 CA GLU A 85 21.282 3.062 4.436 1.00 0.00 C ATOM 1264 C GLU A 85 22.364 3.718 3.577 1.00 0.00 C ATOM 1265 O GLU A 85 22.204 4.853 3.130 1.00 0.00 O ATOM 1266 CB GLU A 85 19.885 3.473 3.966 1.00 0.00 C ATOM 1267 CG GLU A 85 19.194 2.324 3.229 1.00 0.00 C ATOM 1268 CD GLU A 85 17.788 2.727 2.780 1.00 0.00 C ATOM 1269 OE1 GLU A 85 16.966 3.013 3.676 1.00 0.00 O ATOM 1270 OE2 GLU A 85 17.568 2.742 1.549 1.00 0.00 O ATOM 0 H GLU A 85 21.429 4.390 6.050 1.00 0.00 H new ATOM 0 HA GLU A 85 21.364 1.981 4.325 1.00 0.00 H new ATOM 0 HB2 GLU A 85 19.283 3.774 4.823 1.00 0.00 H new ATOM 0 HB3 GLU A 85 19.959 4.339 3.309 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.787 2.034 2.362 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.136 1.452 3.881 1.00 0.00 H new ATOM 1277 N PRO A 86 23.472 2.956 3.367 1.00 0.00 N ATOM 1278 CA PRO A 86 24.580 3.452 2.569 1.00 0.00 C ATOM 1279 C PRO A 86 24.237 3.427 1.078 1.00 0.00 C ATOM 1280 O PRO A 86 24.110 2.358 0.484 1.00 0.00 O ATOM 1281 CB PRO A 86 25.753 2.553 2.924 1.00 0.00 C ATOM 1282 CG PRO A 86 25.148 1.306 3.548 1.00 0.00 C ATOM 1283 CD PRO A 86 23.696 1.608 3.880 1.00 0.00 C ATOM 0 HA PRO A 86 24.816 4.495 2.779 1.00 0.00 H new ATOM 0 HB2 PRO A 86 26.336 2.303 2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 86 26.429 3.050 3.620 1.00 0.00 H new ATOM 0 HG2 PRO A 86 25.215 0.464 2.859 1.00 0.00 H new ATOM 0 HG3 PRO A 86 25.695 1.026 4.448 1.00 0.00 H new ATOM 0 HD2 PRO A 86 23.025 0.889 3.411 1.00 0.00 H new ATOM 0 HD3 PRO A 86 23.517 1.558 4.954 1.00 0.00 H new ATOM 1291 N SER A 87 24.098 4.619 0.516 1.00 0.00 N ATOM 1292 CA SER A 87 23.772 4.748 -0.894 1.00 0.00 C ATOM 1293 C SER A 87 22.410 4.110 -1.177 1.00 0.00 C ATOM 1294 O SER A 87 22.131 3.004 -0.717 1.00 0.00 O ATOM 1295 CB SER A 87 24.851 4.106 -1.769 1.00 0.00 C ATOM 1296 OG SER A 87 26.052 4.871 -1.783 1.00 0.00 O ATOM 0 H SER A 87 24.205 5.504 1.012 1.00 0.00 H new ATOM 0 HA SER A 87 23.727 5.809 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 87 25.065 3.102 -1.402 1.00 0.00 H new ATOM 0 HB3 SER A 87 24.477 4.000 -2.787 1.00 0.00 H new ATOM 0 HG SER A 87 26.716 4.427 -2.351 1.00 0.00 H new ATOM 1302 N ALA A 88 21.599 4.835 -1.932 1.00 0.00 N ATOM 1303 CA ALA A 88 20.273 4.355 -2.282 1.00 0.00 C ATOM 1304 C ALA A 88 20.077 4.467 -3.795 1.00 0.00 C ATOM 1305 O ALA A 88 19.617 5.496 -4.290 1.00 0.00 O ATOM 1306 CB ALA A 88 19.221 5.141 -1.498 1.00 0.00 C ATOM 0 H ALA A 88 21.834 5.752 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 88 20.162 3.305 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 88 18.227 4.780 -1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 88 19.386 5.004 -0.429 1.00 0.00 H new ATOM 0 HB3 ALA A 88 19.300 6.200 -1.744 1.00 0.00 H new ATOM 1312 N LYS A 89 20.434 3.396 -4.488 1.00 0.00 N ATOM 1313 CA LYS A 89 20.304 3.362 -5.934 1.00 0.00 C ATOM 1314 C LYS A 89 20.596 1.946 -6.435 1.00 0.00 C ATOM 1315 O LYS A 89 21.754 1.535 -6.502 1.00 0.00 O ATOM 1316 CB LYS A 89 21.183 4.436 -6.578 1.00 0.00 C ATOM 1317 CG LYS A 89 21.120 4.354 -8.104 1.00 0.00 C ATOM 1318 CD LYS A 89 21.188 5.749 -8.731 1.00 0.00 C ATOM 1319 CE LYS A 89 21.334 5.660 -10.251 1.00 0.00 C ATOM 1320 NZ LYS A 89 22.671 5.137 -10.614 1.00 0.00 N ATOM 0 H LYS A 89 20.814 2.545 -4.074 1.00 0.00 H new ATOM 0 HA LYS A 89 19.282 3.601 -6.230 1.00 0.00 H new ATOM 0 HB2 LYS A 89 20.857 5.423 -6.250 1.00 0.00 H new ATOM 0 HB3 LYS A 89 22.214 4.314 -6.246 1.00 0.00 H new ATOM 0 HG2 LYS A 89 21.945 3.745 -8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 89 20.197 3.859 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 89 20.287 6.308 -8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 89 22.031 6.299 -8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 89 20.560 5.010 -10.659 1.00 0.00 H new ATOM 0 HE3 LYS A 89 21.190 6.645 -10.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 22.859 5.333 -11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 23.396 5.600 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 22.698 4.110 -10.450 1.00 0.00 H new ATOM 1334 N THR A 90 19.528 1.240 -6.774 1.00 0.00 N ATOM 1335 CA THR A 90 19.656 -0.121 -7.267 1.00 0.00 C ATOM 1336 C THR A 90 20.574 -0.161 -8.491 1.00 0.00 C ATOM 1337 O THR A 90 20.269 0.441 -9.520 1.00 0.00 O ATOM 1338 CB THR A 90 18.250 -0.658 -7.544 1.00 0.00 C ATOM 1339 OG1 THR A 90 17.584 0.428 -8.183 1.00 0.00 O ATOM 1340 CG2 THR A 90 17.447 -0.885 -6.262 1.00 0.00 C ATOM 0 H THR A 90 18.570 1.585 -6.717 1.00 0.00 H new ATOM 0 HA THR A 90 20.126 -0.767 -6.526 1.00 0.00 H new ATOM 0 HB THR A 90 18.321 -1.594 -8.098 1.00 0.00 H new ATOM 0 HG1 THR A 90 18.146 0.776 -8.906 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.458 -1.266 -6.515 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.964 -1.609 -5.632 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.346 0.058 -5.724 1.00 0.00 H new ATOM 1348 N SER A 91 21.679 -0.876 -8.339 1.00 0.00 N ATOM 1349 CA SER A 91 22.643 -1.002 -9.419 1.00 0.00 C ATOM 1350 C SER A 91 21.999 -1.706 -10.615 1.00 0.00 C ATOM 1351 O SER A 91 20.912 -2.269 -10.497 1.00 0.00 O ATOM 1352 CB SER A 91 23.887 -1.766 -8.960 1.00 0.00 C ATOM 1353 OG SER A 91 24.858 -0.902 -8.375 1.00 0.00 O ATOM 0 H SER A 91 21.928 -1.374 -7.484 1.00 0.00 H new ATOM 0 HA SER A 91 22.954 -0.001 -9.719 1.00 0.00 H new ATOM 0 HB2 SER A 91 23.598 -2.529 -8.237 1.00 0.00 H new ATOM 0 HB3 SER A 91 24.329 -2.284 -9.811 1.00 0.00 H new ATOM 0 HG SER A 91 25.636 -1.427 -8.093 1.00 0.00 H new ATOM 1359 N GLY A 92 22.698 -1.652 -11.739 1.00 0.00 N ATOM 1360 CA GLY A 92 22.209 -2.278 -12.956 1.00 0.00 C ATOM 1361 C GLY A 92 23.348 -2.953 -13.722 1.00 0.00 C ATOM 1362 O GLY A 92 24.299 -2.292 -14.137 1.00 0.00 O ATOM 0 H GLY A 92 23.600 -1.184 -11.833 1.00 0.00 H new ATOM 0 HA2 GLY A 92 21.446 -3.016 -12.708 1.00 0.00 H new ATOM 0 HA3 GLY A 92 21.734 -1.528 -13.589 1.00 0.00 H new ATOM 1366 N PRO A 93 23.211 -4.295 -13.891 1.00 0.00 N ATOM 1367 CA PRO A 93 24.217 -5.067 -14.601 1.00 0.00 C ATOM 1368 C PRO A 93 24.125 -4.832 -16.110 1.00 0.00 C ATOM 1369 O PRO A 93 25.142 -4.638 -16.774 1.00 0.00 O ATOM 1370 CB PRO A 93 23.955 -6.511 -14.207 1.00 0.00 C ATOM 1371 CG PRO A 93 22.535 -6.545 -13.666 1.00 0.00 C ATOM 1372 CD PRO A 93 22.098 -5.111 -13.414 1.00 0.00 C ATOM 0 HA PRO A 93 25.234 -4.775 -14.339 1.00 0.00 H new ATOM 0 HB2 PRO A 93 24.062 -7.175 -15.065 1.00 0.00 H new ATOM 0 HB3 PRO A 93 24.668 -6.846 -13.454 1.00 0.00 H new ATOM 0 HG2 PRO A 93 21.866 -7.028 -14.379 1.00 0.00 H new ATOM 0 HG3 PRO A 93 22.491 -7.125 -12.744 1.00 0.00 H new ATOM 0 HD2 PRO A 93 21.178 -4.878 -13.950 1.00 0.00 H new ATOM 0 HD3 PRO A 93 21.904 -4.936 -12.356 1.00 0.00 H new ATOM 1380 N SER A 94 22.898 -4.859 -16.607 1.00 0.00 N ATOM 1381 CA SER A 94 22.659 -4.651 -18.025 1.00 0.00 C ATOM 1382 C SER A 94 21.157 -4.541 -18.293 1.00 0.00 C ATOM 1383 O SER A 94 20.346 -5.053 -17.522 1.00 0.00 O ATOM 1384 CB SER A 94 23.266 -5.784 -18.856 1.00 0.00 C ATOM 1385 OG SER A 94 22.781 -7.061 -18.452 1.00 0.00 O ATOM 0 H SER A 94 22.057 -5.022 -16.053 1.00 0.00 H new ATOM 0 HA SER A 94 23.142 -3.720 -18.321 1.00 0.00 H new ATOM 0 HB2 SER A 94 23.035 -5.625 -19.909 1.00 0.00 H new ATOM 0 HB3 SER A 94 24.352 -5.762 -18.761 1.00 0.00 H new ATOM 0 HG SER A 94 23.191 -7.757 -19.007 1.00 0.00 H new ATOM 1391 N SER A 95 20.831 -3.871 -19.388 1.00 0.00 N ATOM 1392 CA SER A 95 19.441 -3.688 -19.767 1.00 0.00 C ATOM 1393 C SER A 95 19.203 -4.248 -21.171 1.00 0.00 C ATOM 1394 O SER A 95 20.132 -4.343 -21.971 1.00 0.00 O ATOM 1395 CB SER A 95 19.045 -2.211 -19.712 1.00 0.00 C ATOM 1396 OG SER A 95 18.022 -1.969 -18.750 1.00 0.00 O ATOM 0 H SER A 95 21.506 -3.448 -20.025 1.00 0.00 H new ATOM 0 HA SER A 95 18.819 -4.231 -19.055 1.00 0.00 H new ATOM 0 HB2 SER A 95 19.921 -1.609 -19.469 1.00 0.00 H new ATOM 0 HB3 SER A 95 18.701 -1.891 -20.696 1.00 0.00 H new ATOM 0 HG SER A 95 17.798 -1.015 -18.744 1.00 0.00 H new ATOM 1402 N GLY A 96 17.953 -4.605 -21.427 1.00 0.00 N ATOM 1403 CA GLY A 96 17.581 -5.154 -22.720 1.00 0.00 C ATOM 1404 C GLY A 96 17.814 -6.665 -22.762 1.00 0.00 C ATOM 1405 O GLY A 96 16.939 -7.442 -22.382 1.00 0.00 O ATOM 0 H GLY A 96 17.185 -4.525 -20.761 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.532 -4.939 -22.922 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.163 -4.671 -23.505 1.00 0.00 H new TER 1409 GLY A 96