USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 479 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 54 TYR OH : rot -60:sc= -0.402! USER MOD Set 1.2: B 3 LYS NZ :NH3+ -148:sc= -0.136 (180deg=-1) USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.0735 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 103:sc= -2.31! USER MOD Single : A 16 ASN : amide:sc= -0.086 K(o=-0.086,f=-1.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0503 USER MOD Single : A 23 ASN :FLIP amide:sc= -6.54! C(o=-7.4!,f=-6.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN :FLIP amide:sc= -2.67! C(o=-8.4!,f=-2.7!) USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= -2.97! (180deg=-6.32!) USER MOD Single : A 46 SER OG : rot 180:sc= -1.4 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 121:sc= 1.78 USER MOD Single : A 53 ASN :FLIP amide:sc= -3.3! C(o=-4.8!,f=-3.3!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.0262 K(o=-0.026,f=-1.4!) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= -0.0446 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0185) USER MOD Single : B -3 LYS NZ :NH3+ -177:sc= 0.0498 (180deg=0.0474) USER MOD Single : B -5 SER OG : rot 180:sc= 0 USER MOD Single : B -6 HIS : no HD1:sc= -4.53! C(o=-4.5!,f=-4.9!) USER MOD Single : B -8 LYS NZ :NH3+ -149:sc= -1.78! (180deg=-3.45!) USER MOD Single : B -10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.243 -14.027 -4.501 1.00 0.00 N ATOM 2 CA ALA A 1 3.432 -13.733 -3.292 1.00 0.00 C ATOM 3 C ALA A 1 2.018 -13.290 -3.675 1.00 0.00 C ATOM 4 O ALA A 1 1.754 -12.961 -4.832 1.00 0.00 O ATOM 5 CB ALA A 1 4.110 -12.659 -2.448 1.00 0.00 C ATOM 0 H1 ALA A 1 4.513 -15.031 -4.502 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.685 -13.818 -5.353 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.100 -13.438 -4.496 1.00 0.00 H new ATOM 0 HA ALA A 1 3.355 -14.648 -2.705 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.504 -12.454 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.095 -13.007 -2.139 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.215 -11.747 -3.036 1.00 0.00 H new ATOM 13 N PRO A 2 1.091 -13.277 -2.699 1.00 0.00 N ATOM 14 CA PRO A 2 -0.308 -12.870 -2.920 1.00 0.00 C ATOM 15 C PRO A 2 -0.414 -11.519 -3.618 1.00 0.00 C ATOM 16 O PRO A 2 0.557 -10.777 -3.713 1.00 0.00 O ATOM 17 CB PRO A 2 -0.891 -12.861 -1.487 1.00 0.00 C ATOM 18 CG PRO A 2 0.292 -12.831 -0.586 1.00 0.00 C ATOM 19 CD PRO A 2 1.328 -13.645 -1.295 1.00 0.00 C ATOM 0 HA PRO A 2 -0.852 -13.536 -3.589 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.530 -11.993 -1.327 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.503 -13.745 -1.305 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.636 -11.811 -0.418 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.057 -13.253 0.391 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.338 -13.393 -0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.196 -14.713 -1.124 1.00 0.00 H new ATOM 24 N TRP A 3 -1.597 -11.220 -4.118 1.00 0.00 N ATOM 25 CA TRP A 3 -1.835 -9.984 -4.855 1.00 0.00 C ATOM 26 C TRP A 3 -3.112 -9.310 -4.377 1.00 0.00 C ATOM 27 O TRP A 3 -4.008 -9.953 -3.832 1.00 0.00 O ATOM 28 CB TRP A 3 -1.912 -10.310 -6.345 1.00 0.00 C ATOM 29 CG TRP A 3 -3.137 -11.063 -6.705 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.335 -12.412 -6.713 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.345 -10.472 -7.102 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.626 -12.687 -7.103 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.268 -11.496 -7.350 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.722 -9.157 -7.268 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.569 -11.226 -7.766 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -5.988 -8.882 -7.672 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.912 -9.906 -7.922 1.00 0.00 C ATOM 0 H TRP A 3 -2.418 -11.819 -4.029 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.015 -9.287 -4.679 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -1.879 -9.383 -6.917 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.036 -10.892 -6.631 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.592 -13.152 -6.453 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -5.037 -13.616 -7.193 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.021 -8.358 -7.079 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.276 -12.019 -7.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.290 -7.853 -7.804 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.911 -9.652 -8.243 1.00 0.00 H new ATOM 47 N ALA A 4 -3.175 -7.994 -4.595 1.00 0.00 N ATOM 48 CA ALA A 4 -4.333 -7.234 -4.163 1.00 0.00 C ATOM 49 C ALA A 4 -4.700 -6.109 -5.115 1.00 0.00 C ATOM 50 O ALA A 4 -3.897 -5.683 -5.932 1.00 0.00 O ATOM 51 CB ALA A 4 -4.112 -6.652 -2.776 1.00 0.00 C ATOM 0 H ALA A 4 -2.449 -7.448 -5.059 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.162 -7.942 -4.149 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.994 -6.087 -2.474 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.938 -7.460 -2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.245 -5.991 -2.793 1.00 0.00 H new ATOM 57 N THR A 5 -5.923 -5.645 -5.002 1.00 0.00 N ATOM 58 CA THR A 5 -6.408 -4.549 -5.821 1.00 0.00 C ATOM 59 C THR A 5 -6.728 -3.351 -4.960 1.00 0.00 C ATOM 60 O THR A 5 -7.056 -3.489 -3.781 1.00 0.00 O ATOM 61 CB THR A 5 -7.679 -4.924 -6.604 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.535 -6.219 -7.194 1.00 0.00 O ATOM 63 CG2 THR A 5 -7.963 -3.893 -7.687 1.00 0.00 C ATOM 0 H THR A 5 -6.610 -6.012 -4.344 1.00 0.00 H new ATOM 0 HA THR A 5 -5.612 -4.317 -6.529 1.00 0.00 H new ATOM 0 HB THR A 5 -8.517 -4.942 -5.907 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.351 -6.446 -7.688 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.865 -4.175 -8.230 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.106 -2.914 -7.229 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.122 -3.851 -8.379 1.00 0.00 H new ATOM 71 N ALA A 6 -6.632 -2.169 -5.550 1.00 0.00 N ATOM 72 CA ALA A 6 -6.928 -0.936 -4.839 1.00 0.00 C ATOM 73 C ALA A 6 -8.408 -0.610 -4.944 1.00 0.00 C ATOM 74 O ALA A 6 -9.016 -0.741 -6.007 1.00 0.00 O ATOM 75 CB ALA A 6 -6.087 0.214 -5.382 1.00 0.00 C ATOM 0 H ALA A 6 -6.351 -2.038 -6.522 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.676 -1.075 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.324 1.127 -4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.029 -0.019 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.306 0.357 -6.440 1.00 0.00 H new ATOM 81 N GLU A 7 -8.980 -0.185 -3.828 1.00 0.00 N ATOM 82 CA GLU A 7 -10.388 0.176 -3.775 1.00 0.00 C ATOM 83 C GLU A 7 -10.572 1.681 -3.571 1.00 0.00 C ATOM 84 O GLU A 7 -11.685 2.201 -3.666 1.00 0.00 O ATOM 85 CB GLU A 7 -11.090 -0.559 -2.631 1.00 0.00 C ATOM 86 CG GLU A 7 -10.719 -2.030 -2.535 1.00 0.00 C ATOM 87 CD GLU A 7 -11.580 -2.909 -3.422 1.00 0.00 C ATOM 88 OE1 GLU A 7 -12.670 -3.320 -2.971 1.00 0.00 O ATOM 89 OE2 GLU A 7 -11.164 -3.185 -4.566 1.00 0.00 O ATOM 0 H GLU A 7 -8.487 -0.081 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.828 -0.113 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -10.843 -0.068 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.169 -0.473 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.672 -2.155 -2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.816 -2.358 -1.500 1.00 0.00 H new ATOM 94 N TYR A 8 -9.467 2.374 -3.291 1.00 0.00 N ATOM 95 CA TYR A 8 -9.462 3.812 -3.064 1.00 0.00 C ATOM 96 C TYR A 8 -8.150 4.416 -3.523 1.00 0.00 C ATOM 97 O TYR A 8 -7.106 3.773 -3.414 1.00 0.00 O ATOM 98 CB TYR A 8 -9.606 4.037 -1.580 1.00 0.00 C ATOM 99 CG TYR A 8 -10.810 3.355 -1.027 1.00 0.00 C ATOM 100 CD1 TYR A 8 -12.056 3.944 -1.117 1.00 0.00 C ATOM 101 CD2 TYR A 8 -10.703 2.112 -0.440 1.00 0.00 C ATOM 102 CE1 TYR A 8 -13.171 3.314 -0.628 1.00 0.00 C ATOM 103 CE2 TYR A 8 -11.807 1.468 0.054 1.00 0.00 C ATOM 104 CZ TYR A 8 -13.047 2.070 -0.041 1.00 0.00 C ATOM 105 OH TYR A 8 -14.161 1.429 0.452 1.00 0.00 O ATOM 0 H TYR A 8 -8.545 1.945 -3.216 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.275 4.278 -3.621 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.715 3.671 -1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.671 5.107 -1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -12.153 4.915 -1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -9.735 1.639 -0.369 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -14.139 3.787 -0.701 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -11.709 0.496 0.515 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.900 0.564 0.831 1.00 0.00 H new ATOM 114 N ASP A 9 -8.176 5.640 -4.037 1.00 0.00 N ATOM 115 CA ASP A 9 -6.972 6.329 -4.491 1.00 0.00 C ATOM 116 C ASP A 9 -6.066 6.575 -3.290 1.00 0.00 C ATOM 117 O ASP A 9 -6.142 7.622 -2.649 1.00 0.00 O ATOM 118 CB ASP A 9 -7.384 7.653 -5.130 1.00 0.00 C ATOM 119 CG ASP A 9 -6.192 8.491 -5.548 1.00 0.00 C ATOM 120 OD1 ASP A 9 -5.059 7.965 -5.525 1.00 0.00 O ATOM 121 OD2 ASP A 9 -6.390 9.673 -5.897 1.00 0.00 O ATOM 0 H ASP A 9 -9.032 6.183 -4.151 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.433 5.729 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -8.008 7.454 -6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.993 8.219 -4.425 1.00 0.00 H new ATOM 125 N TYR A 10 -5.208 5.602 -2.989 1.00 0.00 N ATOM 126 CA TYR A 10 -4.334 5.698 -1.820 1.00 0.00 C ATOM 127 C TYR A 10 -3.115 6.572 -2.072 1.00 0.00 C ATOM 128 O TYR A 10 -2.405 6.398 -3.062 1.00 0.00 O ATOM 129 CB TYR A 10 -3.893 4.316 -1.359 1.00 0.00 C ATOM 130 CG TYR A 10 -3.000 4.366 -0.147 1.00 0.00 C ATOM 131 CD1 TYR A 10 -3.349 5.132 0.955 1.00 0.00 C ATOM 132 CD2 TYR A 10 -1.805 3.664 -0.109 1.00 0.00 C ATOM 133 CE1 TYR A 10 -2.534 5.197 2.063 1.00 0.00 C ATOM 134 CE2 TYR A 10 -0.984 3.722 0.999 1.00 0.00 C ATOM 135 CZ TYR A 10 -1.354 4.492 2.079 1.00 0.00 C ATOM 136 OH TYR A 10 -0.544 4.557 3.183 1.00 0.00 O ATOM 0 H TYR A 10 -5.099 4.746 -3.532 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.921 6.172 -1.033 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.773 3.715 -1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.367 3.817 -2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.276 5.687 0.944 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.513 3.064 -0.958 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.820 5.798 2.914 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.058 3.167 1.019 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.641 3.736 3.709 1.00 0.00 H new ATOM 145 N ASP A 11 -2.877 7.520 -1.165 1.00 0.00 N ATOM 146 CA ASP A 11 -1.725 8.396 -1.310 1.00 0.00 C ATOM 147 C ASP A 11 -0.736 8.303 -0.118 1.00 0.00 C ATOM 148 O ASP A 11 -0.552 9.276 0.613 1.00 0.00 O ATOM 149 CB ASP A 11 -2.273 9.816 -1.449 1.00 0.00 C ATOM 150 CG ASP A 11 -1.220 10.904 -1.320 1.00 0.00 C ATOM 151 OD1 ASP A 11 -0.378 11.027 -2.235 1.00 0.00 O ATOM 152 OD2 ASP A 11 -1.238 11.629 -0.303 1.00 0.00 O ATOM 0 H ASP A 11 -3.454 7.695 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.148 8.096 -2.184 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.762 9.912 -2.419 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.038 9.974 -0.689 1.00 0.00 H new ATOM 156 N ALA A 12 -0.133 7.113 0.075 1.00 0.00 N ATOM 157 CA ALA A 12 0.892 6.844 1.120 1.00 0.00 C ATOM 158 C ALA A 12 1.050 7.966 2.159 1.00 0.00 C ATOM 159 O ALA A 12 1.767 8.938 1.927 1.00 0.00 O ATOM 160 CB ALA A 12 2.227 6.604 0.439 1.00 0.00 C ATOM 0 H ALA A 12 -0.343 6.295 -0.496 1.00 0.00 H new ATOM 0 HA ALA A 12 0.550 5.969 1.673 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.989 6.405 1.192 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.146 5.747 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.506 7.487 -0.136 1.00 0.00 H new ATOM 166 N ALA A 13 0.384 7.821 3.291 1.00 0.00 N ATOM 167 CA ALA A 13 0.443 8.799 4.384 1.00 0.00 C ATOM 168 C ALA A 13 1.817 8.930 5.105 1.00 0.00 C ATOM 169 O ALA A 13 2.097 9.993 5.659 1.00 0.00 O ATOM 170 CB ALA A 13 -0.596 8.418 5.408 1.00 0.00 C ATOM 0 H ALA A 13 -0.218 7.021 3.487 1.00 0.00 H new ATOM 0 HA ALA A 13 0.265 9.770 3.922 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.573 9.131 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.583 8.429 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.384 7.418 5.787 1.00 0.00 H new ATOM 176 N GLU A 14 2.670 7.903 5.120 1.00 0.00 N ATOM 177 CA GLU A 14 3.941 7.994 5.895 1.00 0.00 C ATOM 178 C GLU A 14 5.276 8.044 5.125 1.00 0.00 C ATOM 179 O GLU A 14 6.326 8.092 5.765 1.00 0.00 O ATOM 180 CB GLU A 14 4.067 6.788 6.829 1.00 0.00 C ATOM 181 CG GLU A 14 3.224 6.908 8.088 1.00 0.00 C ATOM 182 CD GLU A 14 3.986 7.525 9.243 1.00 0.00 C ATOM 183 OE1 GLU A 14 5.206 7.750 9.096 1.00 0.00 O ATOM 184 OE2 GLU A 14 3.364 7.785 10.295 1.00 0.00 O ATOM 0 H GLU A 14 2.526 7.021 4.628 1.00 0.00 H new ATOM 0 HA GLU A 14 3.827 8.963 6.380 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.774 5.888 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.113 6.664 7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.343 7.513 7.874 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.869 5.919 8.379 1.00 0.00 H new ATOM 189 N ASP A 15 5.255 8.012 3.802 1.00 0.00 N ATOM 190 CA ASP A 15 6.482 8.077 2.973 1.00 0.00 C ATOM 191 C ASP A 15 6.840 6.659 2.575 1.00 0.00 C ATOM 192 O ASP A 15 6.755 6.333 1.388 1.00 0.00 O ATOM 193 CB ASP A 15 7.649 8.808 3.645 1.00 0.00 C ATOM 194 CG ASP A 15 8.543 9.511 2.643 1.00 0.00 C ATOM 195 OD1 ASP A 15 8.479 9.165 1.445 1.00 0.00 O ATOM 196 OD2 ASP A 15 9.307 10.409 3.056 1.00 0.00 O ATOM 0 H ASP A 15 4.395 7.940 3.258 1.00 0.00 H new ATOM 0 HA ASP A 15 6.278 8.681 2.089 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.257 9.538 4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.241 8.094 4.217 1.00 0.00 H new ATOM 200 N ASN A 16 7.244 5.789 3.525 1.00 0.00 N ATOM 201 CA ASN A 16 7.533 4.442 3.050 1.00 0.00 C ATOM 202 C ASN A 16 6.271 3.609 3.181 1.00 0.00 C ATOM 203 O ASN A 16 6.234 2.582 3.861 1.00 0.00 O ATOM 204 CB ASN A 16 8.518 3.896 4.098 1.00 0.00 C ATOM 205 CG ASN A 16 9.612 3.055 3.480 1.00 0.00 C ATOM 206 OD1 ASN A 16 9.535 2.671 2.312 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.642 2.763 4.263 1.00 0.00 N ATOM 0 H ASN A 16 7.365 5.974 4.521 1.00 0.00 H new ATOM 0 HA ASN A 16 7.899 4.423 2.023 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.966 4.729 4.640 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.973 3.298 4.828 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.412 2.199 3.904 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.664 3.102 5.225 1.00 0.00 H new ATOM 213 N GLU A 17 5.242 4.050 2.509 1.00 0.00 N ATOM 214 CA GLU A 17 4.057 3.307 2.273 1.00 0.00 C ATOM 215 C GLU A 17 3.992 3.098 0.774 1.00 0.00 C ATOM 216 O GLU A 17 4.785 3.697 0.046 1.00 0.00 O ATOM 217 CB GLU A 17 2.847 4.043 2.823 1.00 0.00 C ATOM 218 CG GLU A 17 2.721 3.849 4.327 1.00 0.00 C ATOM 219 CD GLU A 17 1.718 4.779 4.975 1.00 0.00 C ATOM 220 OE1 GLU A 17 1.252 5.709 4.293 1.00 0.00 O ATOM 221 OE2 GLU A 17 1.412 4.583 6.168 1.00 0.00 O ATOM 0 H GLU A 17 5.217 4.982 2.096 1.00 0.00 H new ATOM 0 HA GLU A 17 4.061 2.344 2.783 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.931 5.106 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.944 3.682 2.330 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.431 2.818 4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.697 4.002 4.788 1.00 0.00 H new ATOM 226 N LEU A 18 3.095 2.288 0.280 1.00 0.00 N ATOM 227 CA LEU A 18 2.945 2.170 -1.156 1.00 0.00 C ATOM 228 C LEU A 18 1.874 3.181 -1.502 1.00 0.00 C ATOM 229 O LEU A 18 1.268 3.786 -0.618 1.00 0.00 O ATOM 230 CB LEU A 18 2.536 0.756 -1.571 1.00 0.00 C ATOM 231 CG LEU A 18 2.633 0.430 -3.072 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.798 1.146 -3.743 1.00 0.00 C ATOM 233 CD2 LEU A 18 2.768 -1.069 -3.261 1.00 0.00 C ATOM 0 H LEU A 18 2.465 1.707 0.833 1.00 0.00 H new ATOM 0 HA LEU A 18 3.880 2.358 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.158 0.046 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.507 0.590 -1.251 1.00 0.00 H new ATOM 0 HG LEU A 18 1.718 0.784 -3.547 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.825 0.885 -4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.672 2.224 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.732 0.843 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.836 -1.297 -4.325 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.668 -1.420 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.897 -1.569 -2.838 1.00 0.00 H new ATOM 244 N THR A 19 1.636 3.364 -2.786 1.00 0.00 N ATOM 245 CA THR A 19 0.712 4.387 -3.213 1.00 0.00 C ATOM 246 C THR A 19 0.075 3.986 -4.514 1.00 0.00 C ATOM 247 O THR A 19 0.770 3.628 -5.465 1.00 0.00 O ATOM 248 CB THR A 19 1.435 5.728 -3.395 1.00 0.00 C ATOM 249 OG1 THR A 19 2.783 5.628 -2.920 1.00 0.00 O ATOM 250 CG2 THR A 19 0.707 6.811 -2.639 1.00 0.00 C ATOM 0 H THR A 19 2.064 2.825 -3.539 1.00 0.00 H new ATOM 0 HA THR A 19 -0.054 4.500 -2.446 1.00 0.00 H new ATOM 0 HB THR A 19 1.450 5.980 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.237 6.488 -3.041 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.226 7.760 -2.773 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.311 6.898 -3.018 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.679 6.559 -1.579 1.00 0.00 H new ATOM 258 N PHE A 20 -1.233 4.041 -4.576 1.00 0.00 N ATOM 259 CA PHE A 20 -1.916 3.623 -5.777 1.00 0.00 C ATOM 260 C PHE A 20 -3.234 4.347 -5.959 1.00 0.00 C ATOM 261 O PHE A 20 -3.677 5.115 -5.105 1.00 0.00 O ATOM 262 CB PHE A 20 -2.129 2.107 -5.749 1.00 0.00 C ATOM 263 CG PHE A 20 -2.197 1.559 -4.350 1.00 0.00 C ATOM 264 CD1 PHE A 20 -3.339 1.737 -3.591 1.00 0.00 C ATOM 265 CD2 PHE A 20 -1.109 0.911 -3.784 1.00 0.00 C ATOM 266 CE1 PHE A 20 -3.401 1.278 -2.290 1.00 0.00 C ATOM 267 CE2 PHE A 20 -1.167 0.443 -2.484 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.314 0.629 -1.735 1.00 0.00 C ATOM 0 H PHE A 20 -1.839 4.366 -3.822 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.290 3.883 -6.630 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -3.052 1.864 -6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.316 1.619 -6.287 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.192 2.241 -4.021 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.209 0.771 -4.364 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.298 1.426 -1.707 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.317 -0.067 -2.054 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.361 0.268 -0.718 1.00 0.00 H new ATOM 277 N VAL A 21 -3.842 4.083 -7.095 1.00 0.00 N ATOM 278 CA VAL A 21 -5.128 4.656 -7.429 1.00 0.00 C ATOM 279 C VAL A 21 -6.107 3.544 -7.671 1.00 0.00 C ATOM 280 O VAL A 21 -5.781 2.606 -8.387 1.00 0.00 O ATOM 281 CB VAL A 21 -5.072 5.553 -8.660 1.00 0.00 C ATOM 282 CG1 VAL A 21 -4.519 6.911 -8.280 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.246 4.895 -9.745 1.00 0.00 C ATOM 0 H VAL A 21 -3.460 3.466 -7.812 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.439 5.279 -6.590 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.078 5.699 -9.054 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.481 7.549 -9.163 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.163 7.369 -7.529 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.514 6.794 -7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.212 5.544 -10.620 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.233 4.726 -9.379 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.697 3.941 -10.018 1.00 0.00 H new ATOM 293 N GLU A 22 -7.293 3.638 -7.064 1.00 0.00 N ATOM 294 CA GLU A 22 -8.342 2.626 -7.172 1.00 0.00 C ATOM 295 C GLU A 22 -8.222 1.736 -8.409 1.00 0.00 C ATOM 296 O GLU A 22 -7.811 2.168 -9.486 1.00 0.00 O ATOM 297 CB GLU A 22 -9.721 3.303 -7.149 1.00 0.00 C ATOM 298 CG GLU A 22 -10.169 3.905 -8.478 1.00 0.00 C ATOM 299 CD GLU A 22 -9.781 5.364 -8.613 1.00 0.00 C ATOM 300 OE1 GLU A 22 -10.565 6.229 -8.171 1.00 0.00 O ATOM 301 OE2 GLU A 22 -8.693 5.641 -9.160 1.00 0.00 O ATOM 0 H GLU A 22 -7.553 4.430 -6.477 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.221 1.968 -6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.463 2.570 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.709 4.091 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -9.728 3.338 -9.298 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -11.251 3.810 -8.570 1.00 0.00 H new ATOM 306 N ASN A 23 -8.663 0.500 -8.240 1.00 0.00 N ATOM 307 CA ASN A 23 -8.583 -0.475 -9.329 1.00 0.00 C ATOM 308 C ASN A 23 -7.117 -0.783 -9.682 1.00 0.00 C ATOM 309 O ASN A 23 -6.850 -1.469 -10.669 1.00 0.00 O ATOM 310 CB ASN A 23 -9.350 -0.030 -10.596 1.00 0.00 C ATOM 311 CG ASN A 23 -10.141 1.250 -10.441 1.00 0.00 C ATOM 312 OD1 ASN A 23 -11.017 1.261 -9.466 1.00 0.00 O flip ATOM 313 ND2 ASN A 23 -9.959 2.209 -11.191 1.00 0.00 N flip ATOM 0 H ASN A 23 -9.075 0.147 -7.376 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.066 -1.381 -8.963 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.636 0.097 -11.410 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.031 -0.828 -10.891 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.264 2.150 -11.935 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.503 3.063 -11.068 1.00 0.00 H new ATOM 319 N ASP A 24 -6.164 -0.279 -8.876 1.00 0.00 N ATOM 320 CA ASP A 24 -4.744 -0.547 -9.115 1.00 0.00 C ATOM 321 C ASP A 24 -4.451 -1.955 -8.654 1.00 0.00 C ATOM 322 O ASP A 24 -4.920 -2.402 -7.608 1.00 0.00 O ATOM 323 CB ASP A 24 -3.829 0.478 -8.387 1.00 0.00 C ATOM 324 CG ASP A 24 -2.741 -0.149 -7.518 1.00 0.00 C ATOM 325 OD1 ASP A 24 -1.657 -0.448 -8.049 1.00 0.00 O ATOM 326 OD2 ASP A 24 -2.991 -0.351 -6.310 1.00 0.00 O ATOM 0 H ASP A 24 -6.354 0.309 -8.064 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.532 -0.445 -10.179 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.357 1.118 -9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.450 1.120 -7.762 1.00 0.00 H new ATOM 330 N LYS A 25 -3.665 -2.643 -9.458 1.00 0.00 N ATOM 331 CA LYS A 25 -3.289 -3.977 -9.138 1.00 0.00 C ATOM 332 C LYS A 25 -2.032 -4.000 -8.274 1.00 0.00 C ATOM 333 O LYS A 25 -1.104 -3.225 -8.490 1.00 0.00 O ATOM 334 CB LYS A 25 -3.047 -4.746 -10.410 1.00 0.00 C ATOM 335 CG LYS A 25 -2.851 -6.185 -10.117 1.00 0.00 C ATOM 336 CD LYS A 25 -4.183 -6.898 -9.988 1.00 0.00 C ATOM 337 CE LYS A 25 -4.098 -8.301 -10.539 1.00 0.00 C ATOM 338 NZ LYS A 25 -4.967 -8.486 -11.734 1.00 0.00 N ATOM 0 H LYS A 25 -3.282 -2.288 -10.334 1.00 0.00 H new ATOM 0 HA LYS A 25 -4.098 -4.440 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.893 -4.618 -11.086 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.169 -4.350 -10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.263 -6.645 -10.911 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.283 -6.298 -9.194 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.482 -6.932 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.952 -6.339 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.065 -8.524 -10.805 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.389 -9.012 -9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.878 -9.463 -12.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -5.957 -8.299 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.674 -7.826 -12.482 1.00 0.00 H new ATOM 348 N ILE A 26 -2.013 -4.906 -7.303 1.00 0.00 N ATOM 349 CA ILE A 26 -0.873 -5.071 -6.409 1.00 0.00 C ATOM 350 C ILE A 26 -0.490 -6.549 -6.364 1.00 0.00 C ATOM 351 O ILE A 26 -1.356 -7.417 -6.302 1.00 0.00 O ATOM 352 CB ILE A 26 -1.219 -4.586 -4.986 1.00 0.00 C ATOM 353 CG1 ILE A 26 -1.726 -3.143 -5.023 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.008 -4.702 -4.071 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.805 -2.855 -4.000 1.00 0.00 C ATOM 0 H ILE A 26 -2.785 -5.545 -7.114 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.040 -4.475 -6.783 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.011 -5.221 -4.589 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.887 -2.467 -4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.114 -2.928 -6.019 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.272 -4.355 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.312 -5.743 -4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.805 -4.091 -4.464 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.117 -1.814 -4.083 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.661 -3.506 -4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.415 -3.038 -2.999 1.00 0.00 H new ATOM 366 N ILE A 27 0.804 -6.820 -6.383 1.00 0.00 N ATOM 367 CA ILE A 27 1.288 -8.196 -6.398 1.00 0.00 C ATOM 368 C ILE A 27 2.525 -8.366 -5.534 1.00 0.00 C ATOM 369 O ILE A 27 3.071 -7.403 -4.999 1.00 0.00 O ATOM 370 CB ILE A 27 1.543 -8.660 -7.847 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.479 -7.703 -8.579 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.226 -8.788 -8.595 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.312 -8.380 -9.642 1.00 0.00 C ATOM 0 H ILE A 27 1.538 -6.111 -6.388 1.00 0.00 H new ATOM 0 HA ILE A 27 0.513 -8.830 -5.968 1.00 0.00 H new ATOM 0 HB ILE A 27 2.027 -9.636 -7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.890 -6.910 -9.039 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.142 -7.229 -7.855 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.418 -9.116 -9.617 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.408 -9.518 -8.093 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.278 -7.821 -8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.955 -7.644 -10.124 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.927 -9.155 -9.184 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.656 -8.831 -10.386 1.00 0.00 H new ATOM 384 N ASN A 28 2.925 -9.620 -5.381 1.00 0.00 N ATOM 385 CA ASN A 28 4.057 -9.980 -4.553 1.00 0.00 C ATOM 386 C ASN A 28 3.814 -9.475 -3.157 1.00 0.00 C ATOM 387 O ASN A 28 4.691 -8.902 -2.511 1.00 0.00 O ATOM 388 CB ASN A 28 5.391 -9.459 -5.085 1.00 0.00 C ATOM 389 CG ASN A 28 5.647 -9.854 -6.523 1.00 0.00 C ATOM 390 OD1 ASN A 28 4.962 -9.192 -7.441 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.451 -10.743 -6.804 1.00 0.00 N flip ATOM 0 H ASN A 28 2.470 -10.415 -5.830 1.00 0.00 H new ATOM 0 HA ASN A 28 4.139 -11.067 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.409 -8.372 -5.003 1.00 0.00 H new ATOM 0 HB3 ASN A 28 6.199 -9.839 -4.460 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.957 -11.226 -6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.611 -10.996 -7.779 1.00 0.00 H new ATOM 397 N ILE A 29 2.590 -9.702 -2.707 1.00 0.00 N ATOM 398 CA ILE A 29 2.176 -9.265 -1.405 1.00 0.00 C ATOM 399 C ILE A 29 2.829 -10.132 -0.347 1.00 0.00 C ATOM 400 O ILE A 29 2.922 -11.347 -0.473 1.00 0.00 O ATOM 401 CB ILE A 29 0.630 -9.287 -1.245 1.00 0.00 C ATOM 402 CG1 ILE A 29 -0.005 -8.204 -2.132 1.00 0.00 C ATOM 403 CG2 ILE A 29 0.223 -9.093 0.217 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.472 -7.928 -1.838 1.00 0.00 C ATOM 0 H ILE A 29 1.869 -10.191 -3.237 1.00 0.00 H new ATOM 0 HA ILE A 29 2.496 -8.230 -1.281 1.00 0.00 H new ATOM 0 HB ILE A 29 0.266 -10.264 -1.563 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.557 -7.278 -2.012 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.093 -8.503 -3.176 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.864 -9.113 0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.647 -9.895 0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.596 -8.133 0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.838 -7.151 -2.510 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.051 -8.839 -1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.580 -7.595 -0.806 1.00 0.00 H new ATOM 415 N GLU A 30 3.237 -9.490 0.711 1.00 0.00 N ATOM 416 CA GLU A 30 3.833 -10.213 1.812 1.00 0.00 C ATOM 417 C GLU A 30 3.292 -9.684 3.110 1.00 0.00 C ATOM 418 O GLU A 30 2.753 -8.596 3.151 1.00 0.00 O ATOM 419 CB GLU A 30 5.362 -10.170 1.750 1.00 0.00 C ATOM 420 CG GLU A 30 5.905 -10.176 0.327 1.00 0.00 C ATOM 421 CD GLU A 30 7.237 -10.892 0.217 1.00 0.00 C ATOM 422 OE1 GLU A 30 8.003 -10.879 1.203 1.00 0.00 O ATOM 423 OE2 GLU A 30 7.515 -11.468 -0.856 1.00 0.00 O ATOM 0 H GLU A 30 3.172 -8.480 0.840 1.00 0.00 H new ATOM 0 HA GLU A 30 3.562 -11.266 1.738 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.715 -9.275 2.263 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.765 -11.027 2.290 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.182 -10.657 -0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.019 -9.149 -0.019 1.00 0.00 H new ATOM 428 N PHE A 31 3.513 -10.422 4.182 1.00 0.00 N ATOM 429 CA PHE A 31 2.980 -9.979 5.461 1.00 0.00 C ATOM 430 C PHE A 31 4.068 -9.540 6.415 1.00 0.00 C ATOM 431 O PHE A 31 4.198 -10.051 7.527 1.00 0.00 O ATOM 432 CB PHE A 31 2.091 -11.067 6.061 1.00 0.00 C ATOM 433 CG PHE A 31 0.981 -11.479 5.125 1.00 0.00 C ATOM 434 CD1 PHE A 31 -0.051 -10.599 4.806 1.00 0.00 C ATOM 435 CD2 PHE A 31 0.982 -12.737 4.545 1.00 0.00 C ATOM 436 CE1 PHE A 31 -1.057 -10.974 3.933 1.00 0.00 C ATOM 437 CE2 PHE A 31 -0.020 -13.115 3.669 1.00 0.00 C ATOM 438 CZ PHE A 31 -1.040 -12.232 3.363 1.00 0.00 C ATOM 0 H PHE A 31 4.036 -11.297 4.199 1.00 0.00 H new ATOM 0 HA PHE A 31 2.367 -9.095 5.285 1.00 0.00 H new ATOM 0 HB2 PHE A 31 2.700 -11.938 6.305 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.661 -10.707 6.996 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.066 -9.612 5.245 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.775 -13.432 4.780 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.854 -10.284 3.698 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.006 -14.099 3.224 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.822 -12.526 2.679 1.00 0.00 H new ATOM 447 N VAL A 32 4.847 -8.575 5.951 1.00 0.00 N ATOM 448 CA VAL A 32 5.909 -7.984 6.742 1.00 0.00 C ATOM 449 C VAL A 32 5.321 -7.514 8.072 1.00 0.00 C ATOM 450 O VAL A 32 5.986 -7.563 9.106 1.00 0.00 O ATOM 451 CB VAL A 32 6.513 -6.787 5.975 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.265 -7.269 4.745 1.00 0.00 C ATOM 453 CG2 VAL A 32 5.413 -5.813 5.584 1.00 0.00 C ATOM 0 H VAL A 32 4.759 -8.181 5.014 1.00 0.00 H new ATOM 0 HA VAL A 32 6.696 -8.715 6.928 1.00 0.00 H new ATOM 0 HB VAL A 32 7.220 -6.272 6.625 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.684 -6.413 4.216 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.070 -7.937 5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.580 -7.803 4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.847 -4.972 5.044 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.689 -6.319 4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.914 -5.449 6.482 1.00 0.00 H new ATOM 463 N ASP A 33 4.070 -7.060 8.040 1.00 0.00 N ATOM 464 CA ASP A 33 3.363 -6.645 9.246 1.00 0.00 C ATOM 465 C ASP A 33 1.931 -7.190 9.210 1.00 0.00 C ATOM 466 O ASP A 33 1.467 -7.645 8.167 1.00 0.00 O ATOM 467 CB ASP A 33 3.375 -5.128 9.396 1.00 0.00 C ATOM 468 CG ASP A 33 4.434 -4.680 10.381 1.00 0.00 C ATOM 469 OD1 ASP A 33 4.166 -4.726 11.600 1.00 0.00 O ATOM 470 OD2 ASP A 33 5.531 -4.288 9.936 1.00 0.00 O ATOM 0 H ASP A 33 3.523 -6.970 7.184 1.00 0.00 H new ATOM 0 HA ASP A 33 3.874 -7.056 10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.559 -4.666 8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.396 -4.786 9.731 1.00 0.00 H new ATOM 474 N ASP A 34 1.235 -7.158 10.349 1.00 0.00 N ATOM 475 CA ASP A 34 -0.155 -7.620 10.404 1.00 0.00 C ATOM 476 C ASP A 34 -1.064 -6.643 9.656 1.00 0.00 C ATOM 477 O ASP A 34 -1.864 -7.030 8.806 1.00 0.00 O ATOM 478 CB ASP A 34 -0.619 -7.754 11.855 1.00 0.00 C ATOM 479 CG ASP A 34 -2.063 -8.206 11.959 1.00 0.00 C ATOM 480 OD1 ASP A 34 -2.587 -8.754 10.965 1.00 0.00 O ATOM 481 OD2 ASP A 34 -2.671 -8.011 13.032 1.00 0.00 O ATOM 0 H ASP A 34 1.606 -6.821 11.237 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.212 -8.598 9.927 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.021 -8.468 12.374 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.503 -6.795 12.361 1.00 0.00 H new ATOM 485 N ASP A 35 -0.913 -5.366 10.000 1.00 0.00 N ATOM 486 CA ASP A 35 -1.771 -4.303 9.471 1.00 0.00 C ATOM 487 C ASP A 35 -1.303 -3.687 8.159 1.00 0.00 C ATOM 488 O ASP A 35 -2.123 -3.368 7.298 1.00 0.00 O ATOM 489 CB ASP A 35 -1.901 -3.191 10.513 1.00 0.00 C ATOM 490 CG ASP A 35 -0.562 -2.778 11.087 1.00 0.00 C ATOM 491 OD1 ASP A 35 0.471 -3.044 10.436 1.00 0.00 O ATOM 492 OD2 ASP A 35 -0.543 -2.186 12.186 1.00 0.00 O ATOM 0 H ASP A 35 -0.198 -5.038 10.649 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.726 -4.783 9.257 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.381 -2.325 10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.551 -3.528 11.321 1.00 0.00 H new ATOM 496 N TRP A 36 -0.001 -3.518 7.995 1.00 0.00 N ATOM 497 CA TRP A 36 0.520 -3.022 6.727 1.00 0.00 C ATOM 498 C TRP A 36 1.339 -4.116 6.078 1.00 0.00 C ATOM 499 O TRP A 36 2.400 -4.469 6.594 1.00 0.00 O ATOM 500 CB TRP A 36 1.389 -1.779 6.926 1.00 0.00 C ATOM 501 CG TRP A 36 0.611 -0.565 7.310 1.00 0.00 C ATOM 502 CD1 TRP A 36 0.055 -0.327 8.525 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.296 0.575 6.489 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.574 0.885 8.527 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.447 1.459 7.294 1.00 0.00 C ATOM 506 CE3 TRP A 36 0.566 0.942 5.160 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -0.923 2.676 6.829 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.086 2.164 4.695 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.650 3.012 5.537 1.00 0.00 C ATOM 0 H TRP A 36 0.704 -3.712 8.706 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.319 -2.742 6.090 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.132 -1.984 7.697 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.934 -1.575 6.004 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.103 -0.999 9.369 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.061 1.296 9.323 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.134 0.290 4.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.491 3.335 7.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.282 2.462 3.676 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.009 3.955 5.151 1.00 0.00 H new ATOM 519 N TRP A 37 0.886 -4.673 4.956 1.00 0.00 N ATOM 520 CA TRP A 37 1.599 -5.718 4.253 1.00 0.00 C ATOM 521 C TRP A 37 2.426 -5.055 3.177 1.00 0.00 C ATOM 522 O TRP A 37 2.254 -3.864 2.917 1.00 0.00 O ATOM 523 CB TRP A 37 0.600 -6.720 3.662 1.00 0.00 C ATOM 524 CG TRP A 37 -0.620 -6.947 4.484 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.672 -7.218 5.816 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.967 -6.953 4.015 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.972 -7.395 6.208 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.789 -7.234 5.118 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.558 -6.743 2.767 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -4.171 -7.316 5.011 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.932 -6.821 2.658 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.728 -7.106 3.776 1.00 0.00 C ATOM 0 H TRP A 37 0.007 -4.404 4.513 1.00 0.00 H new ATOM 0 HA TRP A 37 2.253 -6.275 4.924 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.296 -6.369 2.676 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.107 -7.674 3.519 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.186 -7.284 6.469 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.282 -7.611 7.155 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.950 -6.523 1.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.786 -7.538 5.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.400 -6.660 1.698 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.801 -7.161 3.662 1.00 0.00 H new ATOM 542 N LEU A 38 3.322 -5.794 2.537 1.00 0.00 N ATOM 543 CA LEU A 38 4.157 -5.208 1.521 1.00 0.00 C ATOM 544 C LEU A 38 3.731 -5.664 0.143 1.00 0.00 C ATOM 545 O LEU A 38 3.150 -6.728 -0.021 1.00 0.00 O ATOM 546 CB LEU A 38 5.631 -5.547 1.817 1.00 0.00 C ATOM 547 CG LEU A 38 6.282 -6.584 0.886 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.567 -5.958 -0.469 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.558 -7.137 1.504 1.00 0.00 C ATOM 0 H LEU A 38 3.482 -6.787 2.707 1.00 0.00 H new ATOM 0 HA LEU A 38 4.046 -4.124 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.213 -4.626 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.701 -5.913 2.841 1.00 0.00 H new ATOM 0 HG LEU A 38 5.589 -7.414 0.749 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.028 -6.699 -1.122 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.634 -5.613 -0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.244 -5.113 -0.344 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.002 -7.869 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.263 -6.323 1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.324 -7.616 2.455 1.00 0.00 H new ATOM 560 N GLY A 39 4.025 -4.827 -0.831 1.00 0.00 N ATOM 561 CA GLY A 39 3.616 -5.194 -2.166 1.00 0.00 C ATOM 562 C GLY A 39 4.637 -5.041 -3.272 1.00 0.00 C ATOM 563 O GLY A 39 5.843 -4.912 -3.064 1.00 0.00 O ATOM 0 H GLY A 39 4.517 -3.939 -0.734 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.294 -6.235 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.743 -4.596 -2.428 1.00 0.00 H new ATOM 567 N GLU A 40 4.060 -5.064 -4.463 1.00 0.00 N ATOM 568 CA GLU A 40 4.730 -4.884 -5.742 1.00 0.00 C ATOM 569 C GLU A 40 3.602 -4.586 -6.720 1.00 0.00 C ATOM 570 O GLU A 40 2.749 -5.433 -6.901 1.00 0.00 O ATOM 571 CB GLU A 40 5.506 -6.131 -6.160 1.00 0.00 C ATOM 572 CG GLU A 40 6.735 -6.396 -5.306 1.00 0.00 C ATOM 573 CD GLU A 40 7.699 -7.369 -5.958 1.00 0.00 C ATOM 574 OE1 GLU A 40 7.712 -7.446 -7.204 1.00 0.00 O ATOM 575 OE2 GLU A 40 8.439 -8.054 -5.222 1.00 0.00 O ATOM 0 H GLU A 40 3.057 -5.217 -4.569 1.00 0.00 H new ATOM 0 HA GLU A 40 5.472 -4.087 -5.702 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.844 -6.995 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 40 5.812 -6.026 -7.201 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.249 -5.454 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.423 -6.792 -4.340 1.00 0.00 H new ATOM 580 N LEU A 41 3.560 -3.433 -7.358 1.00 0.00 N ATOM 581 CA LEU A 41 2.422 -3.191 -8.242 1.00 0.00 C ATOM 582 C LEU A 41 2.550 -3.943 -9.546 1.00 0.00 C ATOM 583 O LEU A 41 3.513 -3.797 -10.271 1.00 0.00 O ATOM 584 CB LEU A 41 2.139 -1.705 -8.474 1.00 0.00 C ATOM 585 CG LEU A 41 1.870 -0.870 -7.219 1.00 0.00 C ATOM 586 CD1 LEU A 41 1.809 0.608 -7.572 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.575 -1.303 -6.550 1.00 0.00 C ATOM 0 H LEU A 41 4.251 -2.686 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 41 1.552 -3.585 -7.717 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.990 -1.271 -9.000 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.277 -1.618 -9.136 1.00 0.00 H new ATOM 0 HG LEU A 41 2.690 -1.032 -6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.617 1.190 -6.670 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.759 0.917 -8.008 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.007 0.778 -8.291 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.404 -0.696 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.255 -1.171 -7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.646 -2.353 -6.265 1.00 0.00 H new ATOM 598 N GLU A 42 1.588 -4.805 -9.812 1.00 0.00 N ATOM 599 CA GLU A 42 1.588 -5.571 -11.040 1.00 0.00 C ATOM 600 C GLU A 42 1.654 -4.630 -12.237 1.00 0.00 C ATOM 601 O GLU A 42 2.328 -4.906 -13.229 1.00 0.00 O ATOM 602 CB GLU A 42 0.327 -6.454 -11.094 1.00 0.00 C ATOM 603 CG GLU A 42 -0.141 -6.814 -12.498 1.00 0.00 C ATOM 604 CD GLU A 42 0.984 -7.327 -13.376 1.00 0.00 C ATOM 605 OE1 GLU A 42 2.112 -7.487 -12.864 1.00 0.00 O ATOM 606 OE2 GLU A 42 0.737 -7.568 -14.577 1.00 0.00 O ATOM 0 H GLU A 42 0.798 -4.991 -9.194 1.00 0.00 H new ATOM 0 HA GLU A 42 2.464 -6.219 -11.072 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.521 -7.375 -10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.483 -5.939 -10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.921 -7.573 -12.433 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.588 -5.936 -12.964 1.00 0.00 H new ATOM 611 N LYS A 43 0.942 -3.516 -12.126 1.00 0.00 N ATOM 612 CA LYS A 43 0.879 -2.567 -13.221 1.00 0.00 C ATOM 613 C LYS A 43 2.220 -1.854 -13.500 1.00 0.00 C ATOM 614 O LYS A 43 2.587 -1.684 -14.663 1.00 0.00 O ATOM 615 CB LYS A 43 -0.273 -1.565 -13.015 1.00 0.00 C ATOM 616 CG LYS A 43 0.124 -0.249 -12.355 1.00 0.00 C ATOM 617 CD LYS A 43 -0.906 0.204 -11.332 1.00 0.00 C ATOM 618 CE LYS A 43 -0.238 0.618 -10.034 1.00 0.00 C ATOM 619 NZ LYS A 43 1.032 1.360 -10.273 1.00 0.00 N ATOM 0 H LYS A 43 0.407 -3.253 -11.298 1.00 0.00 H new ATOM 0 HA LYS A 43 0.671 -3.148 -14.119 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.721 -1.347 -13.984 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.043 -2.040 -12.407 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.093 -0.364 -11.869 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.240 0.520 -13.119 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.479 1.040 -11.733 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.613 -0.603 -11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.920 1.243 -9.458 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.033 -0.268 -9.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.174 2.058 -9.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.829 0.691 -10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.981 1.849 -11.190 1.00 0.00 H new ATOM 629 N ASP A 44 2.955 -1.435 -12.465 1.00 0.00 N ATOM 630 CA ASP A 44 4.218 -0.698 -12.685 1.00 0.00 C ATOM 631 C ASP A 44 5.418 -1.284 -11.925 1.00 0.00 C ATOM 632 O ASP A 44 6.545 -0.812 -12.070 1.00 0.00 O ATOM 633 CB ASP A 44 4.027 0.764 -12.281 1.00 0.00 C ATOM 634 CG ASP A 44 5.040 1.683 -12.935 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.867 1.186 -13.727 1.00 0.00 O ATOM 636 OD2 ASP A 44 5.006 2.899 -12.654 1.00 0.00 O ATOM 0 H ASP A 44 2.711 -1.585 -11.486 1.00 0.00 H new ATOM 0 HA ASP A 44 4.450 -0.788 -13.746 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.021 1.085 -12.553 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.107 0.852 -11.198 1.00 0.00 H new ATOM 640 N GLY A 45 5.166 -2.302 -11.127 1.00 0.00 N ATOM 641 CA GLY A 45 6.240 -2.925 -10.363 1.00 0.00 C ATOM 642 C GLY A 45 6.700 -2.113 -9.167 1.00 0.00 C ATOM 643 O GLY A 45 7.865 -2.194 -8.780 1.00 0.00 O ATOM 0 H GLY A 45 4.243 -2.714 -10.988 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.906 -3.903 -10.018 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.091 -3.094 -11.023 1.00 0.00 H new ATOM 647 N SER A 46 5.808 -1.336 -8.575 1.00 0.00 N ATOM 648 CA SER A 46 6.192 -0.531 -7.420 1.00 0.00 C ATOM 649 C SER A 46 6.050 -1.348 -6.146 1.00 0.00 C ATOM 650 O SER A 46 5.038 -2.003 -5.933 1.00 0.00 O ATOM 651 CB SER A 46 5.339 0.736 -7.337 1.00 0.00 C ATOM 652 OG SER A 46 5.513 1.389 -6.090 1.00 0.00 O ATOM 0 H SER A 46 4.834 -1.244 -8.864 1.00 0.00 H new ATOM 0 HA SER A 46 7.234 -0.234 -7.535 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.610 1.414 -8.147 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.288 0.480 -7.473 1.00 0.00 H new ATOM 0 HG SER A 46 4.958 2.196 -6.063 1.00 0.00 H new ATOM 657 N LYS A 47 7.045 -1.241 -5.267 1.00 0.00 N ATOM 658 CA LYS A 47 7.031 -1.986 -4.010 1.00 0.00 C ATOM 659 C LYS A 47 6.992 -1.047 -2.818 1.00 0.00 C ATOM 660 O LYS A 47 7.568 0.041 -2.853 1.00 0.00 O ATOM 661 CB LYS A 47 8.249 -2.904 -3.861 1.00 0.00 C ATOM 662 CG LYS A 47 8.907 -3.271 -5.184 1.00 0.00 C ATOM 663 CD LYS A 47 10.212 -4.021 -4.970 1.00 0.00 C ATOM 664 CE LYS A 47 10.878 -4.365 -6.293 1.00 0.00 C ATOM 665 NZ LYS A 47 12.131 -3.589 -6.504 1.00 0.00 N ATOM 0 H LYS A 47 7.865 -0.650 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 47 6.130 -2.599 -4.036 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.985 -2.415 -3.223 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.943 -3.818 -3.352 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.225 -3.886 -5.772 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.097 -2.365 -5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.888 -3.414 -4.368 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.020 -4.936 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.103 -5.431 -6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.185 -4.165 -7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.553 -3.853 -7.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.914 -2.572 -6.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.803 -3.799 -5.738 1.00 0.00 H new ATOM 675 N GLY A 48 6.311 -1.468 -1.760 1.00 0.00 N ATOM 676 CA GLY A 48 6.227 -0.673 -0.557 1.00 0.00 C ATOM 677 C GLY A 48 5.191 -1.203 0.407 1.00 0.00 C ATOM 678 O GLY A 48 4.287 -1.938 0.010 1.00 0.00 O ATOM 0 H GLY A 48 5.811 -2.356 -1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.201 -0.655 -0.067 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.983 0.356 -0.820 1.00 0.00 H new ATOM 682 N LEU A 49 5.315 -0.834 1.673 1.00 0.00 N ATOM 683 CA LEU A 49 4.364 -1.293 2.668 1.00 0.00 C ATOM 684 C LEU A 49 3.070 -0.570 2.411 1.00 0.00 C ATOM 685 O LEU A 49 3.045 0.651 2.352 1.00 0.00 O ATOM 686 CB LEU A 49 4.873 -1.000 4.078 1.00 0.00 C ATOM 687 CG LEU A 49 6.063 -1.838 4.524 1.00 0.00 C ATOM 688 CD1 LEU A 49 7.131 -0.953 5.151 1.00 0.00 C ATOM 689 CD2 LEU A 49 5.604 -2.907 5.495 1.00 0.00 C ATOM 0 H LEU A 49 6.053 -0.227 2.030 1.00 0.00 H new ATOM 0 HA LEU A 49 4.224 -2.372 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.148 0.053 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.055 -1.155 4.782 1.00 0.00 H new ATOM 0 HG LEU A 49 6.502 -2.326 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.975 -1.568 5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.469 -0.218 4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.715 -0.439 6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.460 -3.504 5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.149 -2.436 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.873 -3.552 5.007 1.00 0.00 H new ATOM 700 N PHE A 50 1.982 -1.291 2.245 1.00 0.00 N ATOM 701 CA PHE A 50 0.726 -0.664 1.923 1.00 0.00 C ATOM 702 C PHE A 50 -0.354 -0.996 2.932 1.00 0.00 C ATOM 703 O PHE A 50 -0.282 -2.001 3.640 1.00 0.00 O ATOM 704 CB PHE A 50 0.273 -1.081 0.524 1.00 0.00 C ATOM 705 CG PHE A 50 -0.116 -2.529 0.414 1.00 0.00 C ATOM 706 CD1 PHE A 50 0.842 -3.504 0.176 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.440 -2.914 0.544 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.484 -4.836 0.071 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.802 -4.243 0.439 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.839 -5.204 0.203 1.00 0.00 C ATOM 0 H PHE A 50 1.945 -2.307 2.328 1.00 0.00 H new ATOM 0 HA PHE A 50 0.886 0.414 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.576 -0.464 0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.077 -0.877 -0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.879 -3.220 0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.198 -2.167 0.729 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.239 -5.586 -0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.838 -4.530 0.541 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.121 -6.243 0.122 1.00 0.00 H new ATOM 719 N PRO A 51 -1.372 -0.137 2.999 1.00 0.00 N ATOM 720 CA PRO A 51 -2.499 -0.305 3.892 1.00 0.00 C ATOM 721 C PRO A 51 -3.270 -1.584 3.633 1.00 0.00 C ATOM 722 O PRO A 51 -2.936 -2.399 2.773 1.00 0.00 O ATOM 723 CB PRO A 51 -3.413 0.891 3.615 1.00 0.00 C ATOM 724 CG PRO A 51 -2.554 1.885 2.925 1.00 0.00 C ATOM 725 CD PRO A 51 -1.513 1.092 2.187 1.00 0.00 C ATOM 0 HA PRO A 51 -2.151 -0.362 4.923 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.260 0.603 2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -3.821 1.298 4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.139 2.496 2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.092 2.565 3.641 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -1.829 0.866 1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -0.571 1.636 2.115 1.00 0.00 H new ATOM 730 N SER A 52 -4.312 -1.703 4.433 1.00 0.00 N ATOM 731 CA SER A 52 -5.147 -2.881 4.195 1.00 0.00 C ATOM 732 C SER A 52 -6.614 -2.583 4.067 1.00 0.00 C ATOM 733 O SER A 52 -7.378 -3.384 3.525 1.00 0.00 O ATOM 734 CB SER A 52 -4.850 -3.972 5.222 1.00 0.00 C ATOM 735 OG SER A 52 -5.967 -4.828 5.395 1.00 0.00 O ATOM 0 H SER A 52 -4.590 -1.072 5.185 1.00 0.00 H new ATOM 0 HA SER A 52 -4.870 -3.260 3.211 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.988 -4.555 4.899 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.586 -3.516 6.176 1.00 0.00 H new ATOM 0 HG SER A 52 -5.711 -5.748 5.176 1.00 0.00 H new ATOM 740 N ASN A 53 -7.017 -1.432 4.565 1.00 0.00 N ATOM 741 CA ASN A 53 -8.385 -1.012 4.438 1.00 0.00 C ATOM 742 C ASN A 53 -8.570 -0.115 3.203 1.00 0.00 C ATOM 743 O ASN A 53 -9.696 0.116 2.762 1.00 0.00 O ATOM 744 CB ASN A 53 -8.884 -0.364 5.738 1.00 0.00 C ATOM 745 CG ASN A 53 -8.565 1.112 5.864 1.00 0.00 C ATOM 746 OD1 ASN A 53 -7.458 1.547 5.283 1.00 0.00 O flip ATOM 747 ND2 ASN A 53 -9.314 1.860 6.490 1.00 0.00 N flip ATOM 0 H ASN A 53 -6.413 -0.776 5.060 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.010 -1.890 4.276 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.964 -0.497 5.805 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.445 -0.892 6.585 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.159 1.489 6.925 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.090 2.852 6.575 1.00 0.00 H new ATOM 753 N TYR A 54 -7.442 0.398 2.640 1.00 0.00 N ATOM 754 CA TYR A 54 -7.465 1.209 1.416 1.00 0.00 C ATOM 755 C TYR A 54 -7.467 0.271 0.185 1.00 0.00 C ATOM 756 O TYR A 54 -7.697 0.712 -0.942 1.00 0.00 O ATOM 757 CB TYR A 54 -6.246 2.164 1.306 1.00 0.00 C ATOM 758 CG TYR A 54 -6.503 3.617 1.646 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.732 3.985 2.955 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.475 4.625 0.678 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.937 5.299 3.300 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.676 5.942 1.019 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.909 6.278 2.326 1.00 0.00 C ATOM 764 OH TYR A 54 -7.117 7.597 2.657 1.00 0.00 O ATOM 0 H TYR A 54 -6.508 0.257 3.025 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.366 1.821 1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.459 1.792 1.962 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.862 2.113 0.287 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.751 3.226 3.723 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.293 4.365 -0.354 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.120 5.566 4.330 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.650 6.709 0.259 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.007 7.698 3.054 1.00 0.00 H new ATOM 773 N VAL A 55 -7.206 -1.040 0.423 1.00 0.00 N ATOM 774 CA VAL A 55 -7.128 -2.040 -0.655 1.00 0.00 C ATOM 775 C VAL A 55 -7.701 -3.401 -0.247 1.00 0.00 C ATOM 776 O VAL A 55 -7.807 -3.719 0.938 1.00 0.00 O ATOM 777 CB VAL A 55 -5.673 -2.331 -1.083 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.980 -1.062 -1.539 1.00 0.00 C ATOM 779 CG2 VAL A 55 -4.895 -3.012 0.035 1.00 0.00 C ATOM 0 H VAL A 55 -7.047 -1.422 1.355 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.706 -1.594 -1.464 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.704 -3.019 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.957 -1.293 -1.835 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.517 -0.639 -2.388 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.967 -0.341 -0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.875 -3.204 -0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.876 -2.365 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.377 -3.956 0.291 1.00 0.00 H new ATOM 789 N SER A 56 -8.067 -4.191 -1.246 1.00 0.00 N ATOM 790 CA SER A 56 -8.601 -5.534 -1.042 1.00 0.00 C ATOM 791 C SER A 56 -7.637 -6.584 -1.612 1.00 0.00 C ATOM 792 O SER A 56 -7.102 -6.408 -2.703 1.00 0.00 O ATOM 793 CB SER A 56 -9.948 -5.647 -1.734 1.00 0.00 C ATOM 794 OG SER A 56 -10.889 -6.332 -0.926 1.00 0.00 O ATOM 0 H SER A 56 -8.002 -3.919 -2.227 1.00 0.00 H new ATOM 0 HA SER A 56 -8.719 -5.713 0.027 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.324 -4.651 -1.967 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.829 -6.173 -2.681 1.00 0.00 H new ATOM 0 HG SER A 56 -11.746 -6.387 -1.398 1.00 0.00 H new ATOM 799 N LEU A 57 -7.453 -7.692 -0.883 1.00 0.00 N ATOM 800 CA LEU A 57 -6.539 -8.747 -1.341 1.00 0.00 C ATOM 801 C LEU A 57 -7.214 -9.667 -2.348 1.00 0.00 C ATOM 802 O LEU A 57 -8.317 -10.162 -2.119 1.00 0.00 O ATOM 803 CB LEU A 57 -6.025 -9.597 -0.176 1.00 0.00 C ATOM 804 CG LEU A 57 -5.103 -8.884 0.815 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.762 -9.800 1.985 1.00 0.00 C ATOM 806 CD2 LEU A 57 -3.829 -8.424 0.123 1.00 0.00 C ATOM 0 H LEU A 57 -7.914 -7.880 0.008 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.699 -8.239 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.884 -9.986 0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.492 -10.456 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.628 -8.009 1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.105 -9.275 2.679 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.678 -10.089 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.258 -10.692 1.614 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.186 -7.919 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.306 -9.288 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.081 -7.735 -0.683 1.00 0.00 H new ATOM 817 N GLY A 58 -6.535 -9.885 -3.462 1.00 0.00 N ATOM 818 CA GLY A 58 -7.067 -10.740 -4.503 1.00 0.00 C ATOM 819 C GLY A 58 -6.833 -12.215 -4.214 1.00 0.00 C ATOM 820 O GLY A 58 -7.119 -13.067 -5.056 1.00 0.00 O ATOM 0 H GLY A 58 -5.620 -9.483 -3.666 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.136 -10.558 -4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.604 -10.481 -5.455 1.00 0.00 H new ATOM 824 N ASN A 59 -6.314 -12.523 -3.022 1.00 0.00 N ATOM 825 CA ASN A 59 -6.038 -13.901 -2.639 1.00 0.00 C ATOM 826 C ASN A 59 -6.070 -14.062 -1.123 1.00 0.00 C ATOM 827 O ASN A 59 -6.733 -14.959 -0.607 1.00 0.00 O ATOM 828 CB ASN A 59 -4.676 -14.338 -3.180 1.00 0.00 C ATOM 829 CG ASN A 59 -4.496 -15.843 -3.145 1.00 0.00 C ATOM 830 OD1 ASN A 59 -5.469 -16.597 -3.161 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.247 -16.288 -3.096 1.00 0.00 N ATOM 0 H ASN A 59 -6.078 -11.833 -2.309 1.00 0.00 H new ATOM 0 HA ASN A 59 -6.814 -14.534 -3.070 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -4.565 -13.985 -4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -3.887 -13.867 -2.594 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.064 -17.291 -3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -2.470 -15.627 -3.084 1.00 0.00 H new TER 837 ASN A 59 ATOM 838 N ALA B 7 -17.038 11.842 -7.102 1.00 0.00 N ATOM 839 CA ALA B 7 -15.615 12.265 -7.075 1.00 0.00 C ATOM 840 C ALA B 7 -14.804 11.380 -6.122 1.00 0.00 C ATOM 841 O ALA B 7 -14.502 10.240 -6.474 1.00 0.00 O ATOM 842 CB ALA B 7 -15.518 13.737 -6.697 1.00 0.00 C ATOM 0 HA ALA B 7 -15.188 12.143 -8.070 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -14.471 14.040 -6.679 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -16.057 14.337 -7.430 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -15.956 13.889 -5.711 1.00 0.00 H new ATOM 850 N LYS B 6 -14.436 11.882 -4.930 1.00 0.00 N ATOM 851 CA LYS B 6 -13.611 11.077 -4.018 1.00 0.00 C ATOM 852 C LYS B 6 -13.920 9.583 -3.991 1.00 0.00 C ATOM 853 O LYS B 6 -13.040 8.732 -3.862 1.00 0.00 O ATOM 854 CB LYS B 6 -13.558 11.599 -2.590 1.00 0.00 C ATOM 855 CG LYS B 6 -12.207 11.288 -1.944 1.00 0.00 C ATOM 856 CD LYS B 6 -12.360 10.645 -0.579 1.00 0.00 C ATOM 857 CE LYS B 6 -11.491 11.332 0.461 1.00 0.00 C ATOM 858 NZ LYS B 6 -11.909 10.990 1.849 1.00 0.00 N ATOM 0 H LYS B 6 -14.687 12.809 -4.586 1.00 0.00 H new ATOM 0 HA LYS B 6 -12.627 11.196 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -13.728 12.676 -2.586 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -14.358 11.147 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -11.639 10.624 -2.595 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -11.632 12.209 -1.848 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -13.404 10.690 -0.269 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -12.091 9.590 -0.640 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -10.451 11.042 0.313 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -11.544 12.412 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -11.336 11.531 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -12.913 11.228 1.978 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -11.770 9.972 2.013 1.00 0.00 H new ATOM 868 N LYS B 5 -15.237 9.308 -4.120 1.00 0.00 N ATOM 869 CA LYS B 5 -15.660 7.928 -3.946 1.00 0.00 C ATOM 870 C LYS B 5 -15.280 7.427 -2.547 1.00 0.00 C ATOM 871 O LYS B 5 -15.265 6.224 -2.290 1.00 0.00 O ATOM 872 CB LYS B 5 -15.059 7.117 -5.099 1.00 0.00 C ATOM 873 CG LYS B 5 -16.041 6.149 -5.740 1.00 0.00 C ATOM 874 CD LYS B 5 -15.378 4.823 -6.074 1.00 0.00 C ATOM 875 CE LYS B 5 -15.707 4.376 -7.490 1.00 0.00 C ATOM 876 NZ LYS B 5 -14.543 3.725 -8.154 1.00 0.00 N ATOM 0 H LYS B 5 -15.972 9.983 -4.330 1.00 0.00 H new ATOM 0 HA LYS B 5 -16.744 7.819 -3.993 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -14.689 7.803 -5.861 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -14.200 6.558 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -16.879 5.978 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -16.450 6.592 -6.648 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -14.298 4.917 -5.963 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -15.706 4.062 -5.366 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -16.546 3.680 -7.465 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -16.025 5.237 -8.078 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -14.810 3.436 -9.117 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -13.750 4.396 -8.201 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -14.255 2.888 -7.608 1.00 0.00 H new ATOM 886 N THR B 4 -14.994 8.391 -1.646 1.00 0.00 N ATOM 887 CA THR B 4 -14.649 8.140 -0.244 1.00 0.00 C ATOM 888 C THR B 4 -13.585 7.079 -0.074 1.00 0.00 C ATOM 889 O THR B 4 -13.746 5.932 -0.483 1.00 0.00 O ATOM 890 CB THR B 4 -15.881 7.771 0.600 1.00 0.00 C ATOM 891 OG1 THR B 4 -17.073 7.923 -0.181 1.00 0.00 O ATOM 892 CG2 THR B 4 -15.967 8.646 1.841 1.00 0.00 C ATOM 0 H THR B 4 -14.999 9.383 -1.885 1.00 0.00 H new ATOM 0 HA THR B 4 -14.241 9.084 0.118 1.00 0.00 H new ATOM 0 HB THR B 4 -15.782 6.732 0.913 1.00 0.00 H new ATOM 0 HG1 THR B 4 -17.853 7.685 0.363 1.00 0.00 H new ATOM 0 HG21 THR B 4 -16.846 8.367 2.423 1.00 0.00 H new ATOM 0 HG22 THR B 4 -15.072 8.507 2.447 1.00 0.00 H new ATOM 0 HG23 THR B 4 -16.045 9.692 1.544 1.00 0.00 H new ATOM 900 N LYS B 3 -12.491 7.475 0.566 1.00 0.00 N ATOM 901 CA LYS B 3 -11.398 6.576 0.849 1.00 0.00 C ATOM 902 C LYS B 3 -11.066 6.592 2.337 1.00 0.00 C ATOM 903 O LYS B 3 -10.844 7.657 2.913 1.00 0.00 O ATOM 904 CB LYS B 3 -10.159 6.934 0.029 1.00 0.00 C ATOM 905 CG LYS B 3 -9.673 8.362 0.190 1.00 0.00 C ATOM 906 CD LYS B 3 -9.022 8.851 -1.091 1.00 0.00 C ATOM 907 CE LYS B 3 -7.577 9.245 -0.858 1.00 0.00 C ATOM 908 NZ LYS B 3 -7.434 10.208 0.267 1.00 0.00 N ATOM 0 H LYS B 3 -12.345 8.428 0.899 1.00 0.00 H new ATOM 0 HA LYS B 3 -11.712 5.571 0.567 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -9.350 6.258 0.307 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -10.375 6.757 -1.024 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -10.510 9.010 0.449 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -8.959 8.419 1.012 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -9.070 8.068 -1.848 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -9.576 9.705 -1.480 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -6.988 8.352 -0.648 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -7.171 9.688 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -6.632 10.843 0.080 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -8.306 10.768 0.358 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -7.264 9.687 1.151 1.00 0.00 H new ATOM 918 N PRO B 2 -11.073 5.410 2.980 1.00 0.00 N ATOM 919 CA PRO B 2 -10.745 5.260 4.401 1.00 0.00 C ATOM 920 C PRO B 2 -9.577 6.138 4.837 1.00 0.00 C ATOM 921 O PRO B 2 -8.941 6.791 4.016 1.00 0.00 O ATOM 922 CB PRO B 2 -10.276 3.811 4.448 1.00 0.00 C ATOM 923 CG PRO B 2 -11.121 3.107 3.448 1.00 0.00 C ATOM 924 CD PRO B 2 -11.417 4.108 2.369 1.00 0.00 C ATOM 0 HA PRO B 2 -11.583 5.529 5.044 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -9.218 3.729 4.200 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -10.404 3.386 5.443 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -10.602 2.239 3.042 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -12.042 2.743 3.904 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -10.823 3.918 1.475 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -12.464 4.073 2.069 1.00 0.00 H new ATOM 929 N THR B 1 -9.323 6.190 6.133 1.00 0.00 N ATOM 930 CA THR B 1 -8.178 6.929 6.644 1.00 0.00 C ATOM 931 C THR B 1 -7.059 5.941 6.948 1.00 0.00 C ATOM 932 O THR B 1 -7.230 5.055 7.786 1.00 0.00 O ATOM 933 CB THR B 1 -8.528 7.717 7.922 1.00 0.00 C ATOM 934 OG1 THR B 1 -9.851 8.257 7.818 1.00 0.00 O ATOM 935 CG2 THR B 1 -7.533 8.843 8.152 1.00 0.00 C ATOM 0 H THR B 1 -9.889 5.733 6.848 1.00 0.00 H new ATOM 0 HA THR B 1 -7.866 7.649 5.888 1.00 0.00 H new ATOM 0 HB THR B 1 -8.481 7.032 8.769 1.00 0.00 H new ATOM 0 HG1 THR B 1 -10.066 8.755 8.634 1.00 0.00 H new ATOM 0 HG21 THR B 1 -7.800 9.385 9.059 1.00 0.00 H new ATOM 0 HG22 THR B 1 -6.531 8.427 8.260 1.00 0.00 H new ATOM 0 HG23 THR B 1 -7.553 9.526 7.302 1.00 0.00 H new ATOM 943 N PRO B 0 -5.893 6.062 6.284 1.00 0.00 N ATOM 944 CA PRO B 0 -4.780 5.132 6.494 1.00 0.00 C ATOM 945 C PRO B 0 -4.568 4.845 7.976 1.00 0.00 C ATOM 946 O PRO B 0 -4.196 5.735 8.741 1.00 0.00 O ATOM 947 CB PRO B 0 -3.611 5.869 5.850 1.00 0.00 C ATOM 948 CG PRO B 0 -4.278 6.548 4.708 1.00 0.00 C ATOM 949 CD PRO B 0 -5.530 7.119 5.318 1.00 0.00 C ATOM 0 HA PRO B 0 -4.936 4.144 6.062 1.00 0.00 H new ATOM 0 HB2 PRO B 0 -3.147 6.579 6.535 1.00 0.00 H new ATOM 0 HB3 PRO B 0 -2.828 5.186 5.520 1.00 0.00 H new ATOM 0 HG2 PRO B 0 -3.648 7.329 4.282 1.00 0.00 H new ATOM 0 HG3 PRO B 0 -4.507 5.849 3.904 1.00 0.00 H new ATOM 0 HD2 PRO B 0 -5.349 8.077 5.806 1.00 0.00 H new ATOM 0 HD3 PRO B 0 -6.311 7.282 4.575 1.00 0.00 H new ATOM 954 N PRO B -1 -4.805 3.588 8.397 1.00 0.00 N ATOM 955 CA PRO B -1 -4.694 3.201 9.801 1.00 0.00 C ATOM 956 C PRO B -1 -3.278 3.296 10.335 1.00 0.00 C ATOM 957 O PRO B -1 -2.318 3.370 9.567 1.00 0.00 O ATOM 958 CB PRO B -1 -5.158 1.741 9.824 1.00 0.00 C ATOM 959 CG PRO B -1 -4.996 1.247 8.429 1.00 0.00 C ATOM 960 CD PRO B -1 -5.148 2.442 7.529 1.00 0.00 C ATOM 0 HA PRO B -1 -5.284 3.866 10.432 1.00 0.00 H new ATOM 0 HB2 PRO B -1 -4.562 1.151 10.520 1.00 0.00 H new ATOM 0 HB3 PRO B -1 -6.196 1.665 10.149 1.00 0.00 H new ATOM 0 HG2 PRO B -1 -4.020 0.782 8.294 1.00 0.00 H new ATOM 0 HG3 PRO B -1 -5.745 0.490 8.197 1.00 0.00 H new ATOM 0 HD2 PRO B -1 -4.483 2.380 6.668 1.00 0.00 H new ATOM 0 HD3 PRO B -1 -6.164 2.524 7.142 1.00 0.00 H new ATOM 965 N PRO B -2 -3.134 3.304 11.675 1.00 0.00 N ATOM 966 CA PRO B -2 -1.835 3.349 12.340 1.00 0.00 C ATOM 967 C PRO B -2 -0.803 2.525 11.584 1.00 0.00 C ATOM 968 O PRO B -2 -1.174 1.620 10.842 1.00 0.00 O ATOM 969 CB PRO B -2 -2.144 2.639 13.654 1.00 0.00 C ATOM 970 CG PRO B -2 -3.549 3.027 13.973 1.00 0.00 C ATOM 971 CD PRO B -2 -4.241 3.263 12.654 1.00 0.00 C ATOM 0 HA PRO B -2 -1.432 4.358 12.428 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -2.045 1.558 13.553 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -1.459 2.950 14.443 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -4.049 2.240 14.538 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -3.572 3.926 14.589 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -4.948 2.465 12.425 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -4.804 4.196 12.660 1.00 0.00 H new ATOM 976 N LYS B -3 0.472 2.796 11.775 1.00 0.00 N ATOM 977 CA LYS B -3 1.508 2.035 11.099 1.00 0.00 C ATOM 978 C LYS B -3 2.588 1.645 12.076 1.00 0.00 C ATOM 979 O LYS B -3 2.982 2.445 12.925 1.00 0.00 O ATOM 980 CB LYS B -3 2.149 2.801 9.946 1.00 0.00 C ATOM 981 CG LYS B -3 1.286 3.908 9.364 1.00 0.00 C ATOM 982 CD LYS B -3 1.387 5.189 10.180 1.00 0.00 C ATOM 983 CE LYS B -3 0.556 6.306 9.571 1.00 0.00 C ATOM 984 NZ LYS B -3 -0.843 6.299 10.079 1.00 0.00 N ATOM 0 H LYS B -3 0.817 3.534 12.389 1.00 0.00 H new ATOM 0 HA LYS B -3 1.021 1.151 10.687 1.00 0.00 H new ATOM 0 HB2 LYS B -3 3.087 3.234 10.292 1.00 0.00 H new ATOM 0 HB3 LYS B -3 2.397 2.096 9.152 1.00 0.00 H new ATOM 0 HG2 LYS B -3 1.592 4.106 8.337 1.00 0.00 H new ATOM 0 HG3 LYS B -3 0.247 3.580 9.329 1.00 0.00 H new ATOM 0 HD2 LYS B -3 1.051 4.999 11.200 1.00 0.00 H new ATOM 0 HD3 LYS B -3 2.429 5.502 10.241 1.00 0.00 H new ATOM 0 HE2 LYS B -3 1.019 7.267 9.796 1.00 0.00 H new ATOM 0 HE3 LYS B -3 0.548 6.202 8.486 1.00 0.00 H new ATOM 0 HZ1 LYS B -3 -1.389 7.044 9.601 1.00 0.00 H new ATOM 0 HZ2 LYS B -3 -1.277 5.374 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS B -3 -0.841 6.474 11.104 1.00 0.00 H new ATOM 994 N PRO B -4 3.092 0.414 11.981 1.00 0.00 N ATOM 995 CA PRO B -4 4.136 -0.021 12.880 1.00 0.00 C ATOM 996 C PRO B -4 5.389 0.806 12.604 1.00 0.00 C ATOM 997 O PRO B -4 5.996 0.729 11.536 1.00 0.00 O ATOM 998 CB PRO B -4 4.273 -1.527 12.612 1.00 0.00 C ATOM 999 CG PRO B -4 3.202 -1.883 11.627 1.00 0.00 C ATOM 1000 CD PRO B -4 2.680 -0.613 11.028 1.00 0.00 C ATOM 0 HA PRO B -4 3.933 0.128 13.940 1.00 0.00 H new ATOM 0 HB2 PRO B -4 5.260 -1.762 12.214 1.00 0.00 H new ATOM 0 HB3 PRO B -4 4.157 -2.097 13.534 1.00 0.00 H new ATOM 0 HG2 PRO B -4 3.601 -2.535 10.850 1.00 0.00 H new ATOM 0 HG3 PRO B -4 2.398 -2.430 12.120 1.00 0.00 H new ATOM 0 HD2 PRO B -4 3.102 -0.434 10.039 1.00 0.00 H new ATOM 0 HD3 PRO B -4 1.596 -0.640 10.912 1.00 0.00 H new ATOM 1005 N SER B -5 5.750 1.599 13.605 1.00 0.00 N ATOM 1006 CA SER B -5 6.823 2.584 13.493 1.00 0.00 C ATOM 1007 C SER B -5 8.196 2.055 13.095 1.00 0.00 C ATOM 1008 O SER B -5 9.106 2.834 12.810 1.00 0.00 O ATOM 1009 CB SER B -5 6.898 3.423 14.768 1.00 0.00 C ATOM 1010 OG SER B -5 7.531 2.707 15.816 1.00 0.00 O ATOM 0 H SER B -5 5.306 1.578 14.523 1.00 0.00 H new ATOM 0 HA SER B -5 6.541 3.203 12.641 1.00 0.00 H new ATOM 0 HB2 SER B -5 7.447 4.343 14.569 1.00 0.00 H new ATOM 0 HB3 SER B -5 5.893 3.712 15.076 1.00 0.00 H new ATOM 0 HG SER B -5 7.567 3.267 16.619 1.00 0.00 H new ATOM 1015 N HIS B -6 8.350 0.736 13.073 1.00 0.00 N ATOM 1016 CA HIS B -6 9.608 0.143 12.642 1.00 0.00 C ATOM 1017 C HIS B -6 9.698 0.158 11.109 1.00 0.00 C ATOM 1018 O HIS B -6 10.697 -0.267 10.529 1.00 0.00 O ATOM 1019 CB HIS B -6 9.751 -1.291 13.168 1.00 0.00 C ATOM 1020 CG HIS B -6 8.494 -2.099 13.120 1.00 0.00 C ATOM 1021 ND1 HIS B -6 7.558 -2.098 14.133 1.00 0.00 N ATOM 1022 CD2 HIS B -6 8.033 -2.963 12.185 1.00 0.00 C ATOM 1023 CE1 HIS B -6 6.576 -2.926 13.823 1.00 0.00 C ATOM 1024 NE2 HIS B -6 6.840 -3.463 12.647 1.00 0.00 N ATOM 0 H HIS B -6 7.630 0.066 13.344 1.00 0.00 H new ATOM 0 HA HIS B -6 10.424 0.736 13.054 1.00 0.00 H new ATOM 0 HB2 HIS B -6 10.519 -1.802 12.587 1.00 0.00 H new ATOM 0 HB3 HIS B -6 10.104 -1.253 14.199 1.00 0.00 H new ATOM 0 HD2 HIS B -6 8.514 -3.212 11.251 1.00 0.00 H new ATOM 0 HE1 HIS B -6 5.705 -3.129 14.429 1.00 0.00 H new ATOM 0 HE2 HIS B -6 6.253 -4.140 12.160 1.00 0.00 H new ATOM 1032 N LEU B -7 8.633 0.654 10.464 1.00 0.00 N ATOM 1033 CA LEU B -7 8.614 0.715 9.007 1.00 0.00 C ATOM 1034 C LEU B -7 8.595 2.148 8.488 1.00 0.00 C ATOM 1035 O LEU B -7 7.852 2.476 7.564 1.00 0.00 O ATOM 1036 CB LEU B -7 7.446 -0.106 8.440 1.00 0.00 C ATOM 1037 CG LEU B -7 6.855 -1.190 9.344 1.00 0.00 C ATOM 1038 CD1 LEU B -7 5.335 -1.073 9.386 1.00 0.00 C ATOM 1039 CD2 LEU B -7 7.271 -2.566 8.844 1.00 0.00 C ATOM 0 H LEU B -7 7.794 1.010 10.921 1.00 0.00 H new ATOM 0 HA LEU B -7 9.544 0.270 8.653 1.00 0.00 H new ATOM 0 HB2 LEU B -7 6.646 0.584 8.171 1.00 0.00 H new ATOM 0 HB3 LEU B -7 7.782 -0.580 7.518 1.00 0.00 H new ATOM 0 HG LEU B -7 7.237 -1.055 10.356 1.00 0.00 H new ATOM 0 HD11 LEU B -7 4.928 -1.850 10.033 1.00 0.00 H new ATOM 0 HD12 LEU B -7 5.056 -0.094 9.776 1.00 0.00 H new ATOM 0 HD13 LEU B -7 4.933 -1.191 8.380 1.00 0.00 H new ATOM 0 HD21 LEU B -7 6.847 -3.332 9.493 1.00 0.00 H new ATOM 0 HD22 LEU B -7 6.907 -2.709 7.827 1.00 0.00 H new ATOM 0 HD23 LEU B -7 8.358 -2.643 8.854 1.00 0.00 H new ATOM 1050 N LYS B -8 9.423 2.997 9.094 1.00 0.00 N ATOM 1051 CA LYS B -8 9.543 4.391 8.687 1.00 0.00 C ATOM 1052 C LYS B -8 10.870 4.613 7.965 1.00 0.00 C ATOM 1053 O LYS B -8 11.871 3.974 8.290 1.00 0.00 O ATOM 1054 CB LYS B -8 9.460 5.306 9.911 1.00 0.00 C ATOM 1055 CG LYS B -8 8.054 5.787 10.219 1.00 0.00 C ATOM 1056 CD LYS B -8 7.369 4.878 11.209 1.00 0.00 C ATOM 1057 CE LYS B -8 6.043 5.463 11.677 1.00 0.00 C ATOM 1058 NZ LYS B -8 4.935 4.472 11.589 1.00 0.00 N ATOM 0 H LYS B -8 10.025 2.738 9.876 1.00 0.00 H new ATOM 0 HA LYS B -8 8.724 4.630 8.009 1.00 0.00 H new ATOM 0 HB2 LYS B -8 9.851 4.774 10.778 1.00 0.00 H new ATOM 0 HB3 LYS B -8 10.104 6.171 9.751 1.00 0.00 H new ATOM 0 HG2 LYS B -8 8.093 6.800 10.619 1.00 0.00 H new ATOM 0 HG3 LYS B -8 7.472 5.830 9.298 1.00 0.00 H new ATOM 0 HD2 LYS B -8 7.197 3.904 10.752 1.00 0.00 H new ATOM 0 HD3 LYS B -8 8.020 4.717 12.068 1.00 0.00 H new ATOM 0 HE2 LYS B -8 6.141 5.807 12.707 1.00 0.00 H new ATOM 0 HE3 LYS B -8 5.798 6.336 11.072 1.00 0.00 H new ATOM 0 HZ1 LYS B -8 4.041 4.967 11.396 1.00 0.00 H new ATOM 0 HZ2 LYS B -8 5.131 3.799 10.821 1.00 0.00 H new ATOM 0 HZ3 LYS B -8 4.858 3.957 12.489 1.00 0.00 H new ATOM 1068 N PRO B -9 10.903 5.518 6.974 1.00 0.00 N ATOM 1069 CA PRO B -9 12.127 5.802 6.221 1.00 0.00 C ATOM 1070 C PRO B -9 13.284 6.162 7.144 1.00 0.00 C ATOM 1071 O PRO B -9 13.060 6.631 8.261 1.00 0.00 O ATOM 1072 CB PRO B -9 11.751 7.009 5.359 1.00 0.00 C ATOM 1073 CG PRO B -9 10.269 6.961 5.246 1.00 0.00 C ATOM 1074 CD PRO B -9 9.761 6.323 6.511 1.00 0.00 C ATOM 0 HA PRO B -9 12.461 4.940 5.644 1.00 0.00 H new ATOM 0 HB2 PRO B -9 12.081 7.940 5.820 1.00 0.00 H new ATOM 0 HB3 PRO B -9 12.223 6.954 4.378 1.00 0.00 H new ATOM 0 HG2 PRO B -9 9.857 7.963 5.125 1.00 0.00 H new ATOM 0 HG3 PRO B -9 9.966 6.384 4.372 1.00 0.00 H new ATOM 0 HD2 PRO B -9 9.472 7.071 7.249 1.00 0.00 H new ATOM 0 HD3 PRO B -9 8.884 5.704 6.324 1.00 0.00 H new ATOM 1079 N LYS B -10 14.519 5.953 6.700 1.00 0.00 N ATOM 1080 CA LYS B -10 15.674 6.301 7.517 1.00 0.00 C ATOM 1081 C LYS B -10 15.624 5.589 8.865 1.00 0.00 C ATOM 1082 O LYS B -10 16.602 4.970 9.278 1.00 0.00 O ATOM 1083 CB LYS B -10 15.735 7.815 7.729 1.00 0.00 C ATOM 1084 CG LYS B -10 15.537 8.617 6.454 1.00 0.00 C ATOM 1085 CD LYS B -10 15.139 10.053 6.755 1.00 0.00 C ATOM 1086 CE LYS B -10 16.328 10.995 6.657 1.00 0.00 C ATOM 1087 NZ LYS B -10 16.072 12.287 7.353 1.00 0.00 N ATOM 0 H LYS B -10 14.744 5.550 5.791 1.00 0.00 H new ATOM 0 HA LYS B -10 16.571 5.977 6.990 1.00 0.00 H new ATOM 0 HB2 LYS B -10 14.972 8.103 8.452 1.00 0.00 H new ATOM 0 HB3 LYS B -10 16.700 8.074 8.165 1.00 0.00 H new ATOM 0 HG2 LYS B -10 16.458 8.608 5.871 1.00 0.00 H new ATOM 0 HG3 LYS B -10 14.768 8.146 5.842 1.00 0.00 H new ATOM 0 HD2 LYS B -10 14.364 10.370 6.057 1.00 0.00 H new ATOM 0 HD3 LYS B -10 14.710 10.110 7.755 1.00 0.00 H new ATOM 0 HE2 LYS B -10 17.207 10.517 7.090 1.00 0.00 H new ATOM 0 HE3 LYS B -10 16.554 11.186 5.608 1.00 0.00 H new ATOM 0 HZ1 LYS B -10 16.906 12.901 7.263 1.00 0.00 H new ATOM 0 HZ2 LYS B -10 15.249 12.756 6.923 1.00 0.00 H new ATOM 0 HZ3 LYS B -10 15.881 12.107 8.359 1.00 0.00 H new TER 1097 LYS B -10