USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 506 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 41 THR OG1 : rot 180:sc= 0.0253 USER MOD Set 1.2: A 44 GLN :FLIP amide:sc=-0.00211 F(o=-0.5,f=0.023) USER MOD Set 2.1: A 29 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 30 GLN :FLIP amide:sc= -0.803 F(o=-1.6,f=-0.8) USER MOD Set 2.3: A 33 THR OG1 : rot 180:sc= 0 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 180:sc= 0 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -170:sc=-0.00231 (180deg=-0.0895) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -122:sc= -0.0112 (180deg=-0.466) USER MOD Single : A 22 HIS :FLIP no HD1:sc= -5.2! C(o=-6!,f=-5.2!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 77:sc= 0.166 USER MOD Single : A 48 HIS : no HE2:sc= -14.4! C(o=-14!,f=-16!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00129) USER MOD Single : A 58 GLN : amide:sc= -0.0738 K(o=-0.074,f=-1.4!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.562 -9.168 -17.174 1.00 0.00 N ATOM 2 CA GLY A 1 -10.299 -9.242 -16.462 1.00 0.00 C ATOM 3 C GLY A 1 -9.989 -7.969 -15.699 1.00 0.00 C ATOM 4 O GLY A 1 -10.518 -7.746 -14.610 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.728 -10.062 -17.679 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.334 -9.005 -16.496 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.530 -8.385 -17.857 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.326 -10.081 -15.767 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.496 -9.441 -17.172 1.00 0.00 H new ATOM 8 N SER A 2 -9.129 -7.133 -16.271 1.00 0.00 N ATOM 9 CA SER A 2 -8.745 -5.878 -15.634 1.00 0.00 C ATOM 10 C SER A 2 -9.977 -5.057 -15.265 1.00 0.00 C ATOM 11 O SER A 2 -11.089 -5.357 -15.698 1.00 0.00 O ATOM 12 CB SER A 2 -7.837 -5.068 -16.562 1.00 0.00 C ATOM 13 OG SER A 2 -8.566 -4.543 -17.657 1.00 0.00 O ATOM 0 H SER A 2 -8.685 -7.301 -17.174 1.00 0.00 H new ATOM 0 HA SER A 2 -8.200 -6.114 -14.720 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.375 -4.253 -16.004 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.029 -5.701 -16.929 1.00 0.00 H new ATOM 0 HG SER A 2 -7.964 -4.028 -18.234 1.00 0.00 H new ATOM 19 N SER A 3 -9.769 -4.018 -14.463 1.00 0.00 N ATOM 20 CA SER A 3 -10.862 -3.154 -14.032 1.00 0.00 C ATOM 21 C SER A 3 -11.106 -2.040 -15.045 1.00 0.00 C ATOM 22 O SER A 3 -12.211 -1.887 -15.562 1.00 0.00 O ATOM 23 CB SER A 3 -10.554 -2.553 -12.659 1.00 0.00 C ATOM 24 OG SER A 3 -11.662 -1.824 -12.161 1.00 0.00 O ATOM 0 H SER A 3 -8.854 -3.754 -14.098 1.00 0.00 H new ATOM 0 HA SER A 3 -11.765 -3.760 -13.961 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.294 -3.348 -11.960 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.686 -1.897 -12.732 1.00 0.00 H new ATOM 0 HG SER A 3 -11.440 -1.452 -11.282 1.00 0.00 H new ATOM 30 N GLY A 4 -10.063 -1.263 -15.323 1.00 0.00 N ATOM 31 CA GLY A 4 -10.184 -0.172 -16.272 1.00 0.00 C ATOM 32 C GLY A 4 -10.182 1.186 -15.599 1.00 0.00 C ATOM 33 O GLY A 4 -11.236 1.793 -15.409 1.00 0.00 O ATOM 0 H GLY A 4 -9.137 -1.370 -14.908 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.361 -0.222 -16.985 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.106 -0.290 -16.841 1.00 0.00 H new ATOM 37 N SER A 5 -8.996 1.663 -15.235 1.00 0.00 N ATOM 38 CA SER A 5 -8.863 2.956 -14.573 1.00 0.00 C ATOM 39 C SER A 5 -8.478 4.041 -15.573 1.00 0.00 C ATOM 40 O SER A 5 -7.299 4.342 -15.757 1.00 0.00 O ATOM 41 CB SER A 5 -7.816 2.877 -13.460 1.00 0.00 C ATOM 42 OG SER A 5 -7.773 4.081 -12.715 1.00 0.00 O ATOM 0 H SER A 5 -8.114 1.174 -15.387 1.00 0.00 H new ATOM 0 HA SER A 5 -9.828 3.215 -14.137 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.048 2.043 -12.797 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.835 2.678 -13.892 1.00 0.00 H new ATOM 0 HG SER A 5 -7.098 4.005 -12.009 1.00 0.00 H new ATOM 48 N SER A 6 -9.483 4.626 -16.218 1.00 0.00 N ATOM 49 CA SER A 6 -9.251 5.675 -17.204 1.00 0.00 C ATOM 50 C SER A 6 -8.309 6.741 -16.651 1.00 0.00 C ATOM 51 O SER A 6 -8.644 7.451 -15.705 1.00 0.00 O ATOM 52 CB SER A 6 -10.577 6.316 -17.619 1.00 0.00 C ATOM 53 OG SER A 6 -10.405 7.158 -18.746 1.00 0.00 O ATOM 0 H SER A 6 -10.465 4.391 -16.075 1.00 0.00 H new ATOM 0 HA SER A 6 -8.785 5.221 -18.079 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.304 5.538 -17.850 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.981 6.894 -16.788 1.00 0.00 H new ATOM 0 HG SER A 6 -11.267 7.554 -18.993 1.00 0.00 H new ATOM 59 N GLY A 7 -7.126 6.845 -17.251 1.00 0.00 N ATOM 60 CA GLY A 7 -6.153 7.825 -16.806 1.00 0.00 C ATOM 61 C GLY A 7 -4.779 7.221 -16.591 1.00 0.00 C ATOM 62 O GLY A 7 -4.338 6.372 -17.365 1.00 0.00 O ATOM 0 H GLY A 7 -6.825 6.268 -18.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.084 8.625 -17.544 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.497 8.278 -15.876 1.00 0.00 H new ATOM 66 N LYS A 8 -4.100 7.661 -15.537 1.00 0.00 N ATOM 67 CA LYS A 8 -2.768 7.160 -15.221 1.00 0.00 C ATOM 68 C LYS A 8 -2.846 5.791 -14.553 1.00 0.00 C ATOM 69 O LYS A 8 -3.892 5.399 -14.036 1.00 0.00 O ATOM 70 CB LYS A 8 -2.034 8.144 -14.307 1.00 0.00 C ATOM 71 CG LYS A 8 -1.786 9.499 -14.947 1.00 0.00 C ATOM 72 CD LYS A 8 -1.469 10.558 -13.905 1.00 0.00 C ATOM 73 CE LYS A 8 -0.088 10.350 -13.301 1.00 0.00 C ATOM 74 NZ LYS A 8 0.976 11.004 -14.112 1.00 0.00 N ATOM 0 H LYS A 8 -4.451 8.364 -14.887 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.214 7.058 -16.154 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.615 8.283 -13.395 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.078 7.710 -14.013 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.959 9.423 -15.653 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.665 9.800 -15.517 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.523 11.546 -14.361 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.220 10.530 -13.116 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.071 10.751 -12.288 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.118 9.282 -13.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.902 10.839 -13.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 0.977 10.603 -15.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.794 12.027 -14.164 1.00 0.00 H new ATOM 88 N LYS A 9 -1.732 5.066 -14.566 1.00 0.00 N ATOM 89 CA LYS A 9 -1.673 3.742 -13.960 1.00 0.00 C ATOM 90 C LYS A 9 -0.937 3.788 -12.624 1.00 0.00 C ATOM 91 O LYS A 9 0.181 4.295 -12.536 1.00 0.00 O ATOM 92 CB LYS A 9 -0.978 2.757 -14.903 1.00 0.00 C ATOM 93 CG LYS A 9 -1.689 2.584 -16.234 1.00 0.00 C ATOM 94 CD LYS A 9 -2.815 1.569 -16.137 1.00 0.00 C ATOM 95 CE LYS A 9 -3.573 1.449 -17.450 1.00 0.00 C ATOM 96 NZ LYS A 9 -4.369 2.673 -17.744 1.00 0.00 N ATOM 0 H LYS A 9 -0.857 5.374 -14.990 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.694 3.406 -13.782 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.040 3.100 -15.087 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.904 1.787 -14.411 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.090 3.543 -16.561 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.973 2.263 -16.991 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.407 0.597 -15.861 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.503 1.862 -15.344 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.868 1.271 -18.262 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.237 0.585 -17.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.999 2.492 -18.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.938 2.926 -16.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.727 3.457 -17.976 1.00 0.00 H new ATOM 110 N THR A 10 -1.572 3.253 -11.585 1.00 0.00 N ATOM 111 CA THR A 10 -0.979 3.233 -10.255 1.00 0.00 C ATOM 112 C THR A 10 -0.261 1.914 -9.993 1.00 0.00 C ATOM 113 O THR A 10 -0.880 0.930 -9.589 1.00 0.00 O ATOM 114 CB THR A 10 -2.042 3.452 -9.162 1.00 0.00 C ATOM 115 OG1 THR A 10 -2.711 4.700 -9.372 1.00 0.00 O ATOM 116 CG2 THR A 10 -1.408 3.437 -7.779 1.00 0.00 C ATOM 0 H THR A 10 -2.498 2.828 -11.640 1.00 0.00 H new ATOM 0 HA THR A 10 -0.258 4.050 -10.218 1.00 0.00 H new ATOM 0 HB THR A 10 -2.765 2.638 -9.222 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.386 4.831 -8.674 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.178 3.594 -7.024 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.925 2.474 -7.611 1.00 0.00 H new ATOM 0 HG23 THR A 10 -0.666 4.232 -7.710 1.00 0.00 H new ATOM 124 N GLU A 11 1.048 1.902 -10.225 1.00 0.00 N ATOM 125 CA GLU A 11 1.849 0.702 -10.013 1.00 0.00 C ATOM 126 C GLU A 11 2.870 0.918 -8.900 1.00 0.00 C ATOM 127 O GLU A 11 3.641 1.877 -8.928 1.00 0.00 O ATOM 128 CB GLU A 11 2.565 0.305 -11.306 1.00 0.00 C ATOM 129 CG GLU A 11 3.440 1.408 -11.880 1.00 0.00 C ATOM 130 CD GLU A 11 3.606 1.298 -13.383 1.00 0.00 C ATOM 131 OE1 GLU A 11 2.589 1.388 -14.101 1.00 0.00 O ATOM 132 OE2 GLU A 11 4.755 1.123 -13.841 1.00 0.00 O ATOM 0 H GLU A 11 1.576 2.708 -10.559 1.00 0.00 H new ATOM 0 HA GLU A 11 1.178 -0.103 -9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.181 -0.574 -11.115 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.822 0.018 -12.050 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.004 2.377 -11.636 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.421 1.372 -11.406 1.00 0.00 H new ATOM 139 N TRP A 12 2.867 0.020 -7.921 1.00 0.00 N ATOM 140 CA TRP A 12 3.791 0.113 -6.796 1.00 0.00 C ATOM 141 C TRP A 12 4.989 -0.808 -7.000 1.00 0.00 C ATOM 142 O TRP A 12 4.946 -1.727 -7.818 1.00 0.00 O ATOM 143 CB TRP A 12 3.077 -0.241 -5.491 1.00 0.00 C ATOM 144 CG TRP A 12 2.027 0.755 -5.100 1.00 0.00 C ATOM 145 CD1 TRP A 12 0.944 1.138 -5.839 1.00 0.00 C ATOM 146 CD2 TRP A 12 1.963 1.496 -3.877 1.00 0.00 C ATOM 147 NE1 TRP A 12 0.211 2.072 -5.148 1.00 0.00 N ATOM 148 CE2 TRP A 12 0.814 2.309 -3.941 1.00 0.00 C ATOM 149 CE3 TRP A 12 2.763 1.552 -2.732 1.00 0.00 C ATOM 150 CZ2 TRP A 12 0.449 3.165 -2.906 1.00 0.00 C ATOM 151 CZ3 TRP A 12 2.399 2.402 -1.705 1.00 0.00 C ATOM 152 CH2 TRP A 12 1.250 3.199 -1.797 1.00 0.00 C ATOM 0 H TRP A 12 2.236 -0.780 -7.883 1.00 0.00 H new ATOM 0 HA TRP A 12 4.150 1.140 -6.737 1.00 0.00 H new ATOM 0 HB2 TRP A 12 2.616 -1.224 -5.592 1.00 0.00 H new ATOM 0 HB3 TRP A 12 3.813 -0.315 -4.691 1.00 0.00 H new ATOM 0 HD1 TRP A 12 0.700 0.762 -6.822 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -0.644 2.517 -5.480 1.00 0.00 H new ATOM 0 HE3 TRP A 12 3.650 0.942 -2.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -0.435 3.781 -2.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 3.011 2.453 -0.816 1.00 0.00 H new ATOM 0 HH2 TRP A 12 0.992 3.853 -0.977 1.00 0.00 H new ATOM 163 N SER A 13 6.058 -0.555 -6.251 1.00 0.00 N ATOM 164 CA SER A 13 7.270 -1.360 -6.353 1.00 0.00 C ATOM 165 C SER A 13 7.653 -1.939 -4.994 1.00 0.00 C ATOM 166 O SER A 13 7.315 -1.379 -3.951 1.00 0.00 O ATOM 167 CB SER A 13 8.422 -0.518 -6.904 1.00 0.00 C ATOM 168 OG SER A 13 9.389 -1.333 -7.544 1.00 0.00 O ATOM 0 H SER A 13 6.109 0.200 -5.568 1.00 0.00 H new ATOM 0 HA SER A 13 7.072 -2.185 -7.038 1.00 0.00 H new ATOM 0 HB2 SER A 13 8.035 0.215 -7.611 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.891 0.038 -6.092 1.00 0.00 H new ATOM 0 HG SER A 13 10.114 -0.771 -7.889 1.00 0.00 H new ATOM 174 N ARG A 14 8.361 -3.064 -5.016 1.00 0.00 N ATOM 175 CA ARG A 14 8.790 -3.720 -3.786 1.00 0.00 C ATOM 176 C ARG A 14 9.155 -2.692 -2.720 1.00 0.00 C ATOM 177 O ARG A 14 8.885 -2.890 -1.536 1.00 0.00 O ATOM 178 CB ARG A 14 9.986 -4.633 -4.061 1.00 0.00 C ATOM 179 CG ARG A 14 10.212 -5.681 -2.984 1.00 0.00 C ATOM 180 CD ARG A 14 10.840 -6.942 -3.557 1.00 0.00 C ATOM 181 NE ARG A 14 11.291 -7.854 -2.509 1.00 0.00 N ATOM 182 CZ ARG A 14 11.437 -9.162 -2.686 1.00 0.00 C ATOM 183 NH1 ARG A 14 11.170 -9.709 -3.864 1.00 0.00 N ATOM 184 NH2 ARG A 14 11.851 -9.927 -1.683 1.00 0.00 N ATOM 0 H ARG A 14 8.649 -3.540 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 14 7.960 -4.322 -3.416 1.00 0.00 H new ATOM 0 HB2 ARG A 14 9.838 -5.134 -5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 14 10.884 -4.023 -4.156 1.00 0.00 H new ATOM 0 HG2 ARG A 14 10.858 -5.272 -2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 14 9.262 -5.929 -2.511 1.00 0.00 H new ATOM 0 HD2 ARG A 14 10.116 -7.451 -4.193 1.00 0.00 H new ATOM 0 HD3 ARG A 14 11.685 -6.671 -4.190 1.00 0.00 H new ATOM 0 HE ARG A 14 11.506 -7.465 -1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 14 10.852 -9.125 -4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 14 11.283 -10.714 -3.997 1.00 0.00 H new ATOM 0 HH21 ARG A 14 12.057 -9.510 -0.775 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.963 -10.932 -1.820 1.00 0.00 H new ATOM 198 N GLU A 15 9.770 -1.594 -3.149 1.00 0.00 N ATOM 199 CA GLU A 15 10.173 -0.536 -2.230 1.00 0.00 C ATOM 200 C GLU A 15 8.954 0.169 -1.644 1.00 0.00 C ATOM 201 O GLU A 15 8.718 0.121 -0.437 1.00 0.00 O ATOM 202 CB GLU A 15 11.067 0.478 -2.946 1.00 0.00 C ATOM 203 CG GLU A 15 12.504 0.013 -3.112 1.00 0.00 C ATOM 204 CD GLU A 15 13.302 0.905 -4.043 1.00 0.00 C ATOM 205 OE1 GLU A 15 13.807 1.948 -3.579 1.00 0.00 O ATOM 206 OE2 GLU A 15 13.423 0.558 -5.237 1.00 0.00 O ATOM 0 H GLU A 15 10.000 -1.414 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 15 10.734 -0.992 -1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 15 10.647 0.690 -3.929 1.00 0.00 H new ATOM 0 HB3 GLU A 15 11.059 1.414 -2.388 1.00 0.00 H new ATOM 0 HG2 GLU A 15 12.989 -0.013 -2.136 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.510 -1.006 -3.498 1.00 0.00 H new ATOM 213 N GLU A 16 8.183 0.822 -2.507 1.00 0.00 N ATOM 214 CA GLU A 16 6.989 1.539 -2.074 1.00 0.00 C ATOM 215 C GLU A 16 6.105 0.648 -1.206 1.00 0.00 C ATOM 216 O GLU A 16 5.506 1.108 -0.235 1.00 0.00 O ATOM 217 CB GLU A 16 6.198 2.035 -3.286 1.00 0.00 C ATOM 218 CG GLU A 16 6.740 3.323 -3.881 1.00 0.00 C ATOM 219 CD GLU A 16 6.388 3.483 -5.347 1.00 0.00 C ATOM 220 OE1 GLU A 16 5.205 3.290 -5.698 1.00 0.00 O ATOM 221 OE2 GLU A 16 7.295 3.801 -6.144 1.00 0.00 O ATOM 0 H GLU A 16 8.363 0.870 -3.510 1.00 0.00 H new ATOM 0 HA GLU A 16 7.306 2.396 -1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.202 1.261 -4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.159 2.189 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.345 4.171 -3.322 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.824 3.343 -3.767 1.00 0.00 H new ATOM 228 N GLU A 17 6.029 -0.630 -1.565 1.00 0.00 N ATOM 229 CA GLU A 17 5.218 -1.585 -0.819 1.00 0.00 C ATOM 230 C GLU A 17 5.836 -1.877 0.545 1.00 0.00 C ATOM 231 O GLU A 17 5.232 -1.607 1.582 1.00 0.00 O ATOM 232 CB GLU A 17 5.065 -2.886 -1.611 1.00 0.00 C ATOM 233 CG GLU A 17 4.205 -2.744 -2.855 1.00 0.00 C ATOM 234 CD GLU A 17 4.400 -3.886 -3.833 1.00 0.00 C ATOM 235 OE1 GLU A 17 4.248 -5.054 -3.420 1.00 0.00 O ATOM 236 OE2 GLU A 17 4.706 -3.610 -5.013 1.00 0.00 O ATOM 0 H GLU A 17 6.519 -1.027 -2.367 1.00 0.00 H new ATOM 0 HA GLU A 17 4.233 -1.143 -0.665 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.053 -3.243 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.629 -3.647 -0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.156 -2.696 -2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.442 -1.802 -3.350 1.00 0.00 H new ATOM 243 N GLU A 18 7.045 -2.430 0.534 1.00 0.00 N ATOM 244 CA GLU A 18 7.745 -2.760 1.770 1.00 0.00 C ATOM 245 C GLU A 18 7.495 -1.697 2.836 1.00 0.00 C ATOM 246 O GLU A 18 7.025 -2.000 3.933 1.00 0.00 O ATOM 247 CB GLU A 18 9.246 -2.897 1.511 1.00 0.00 C ATOM 248 CG GLU A 18 9.638 -4.225 0.886 1.00 0.00 C ATOM 249 CD GLU A 18 9.842 -5.317 1.918 1.00 0.00 C ATOM 250 OE1 GLU A 18 8.926 -5.538 2.737 1.00 0.00 O ATOM 251 OE2 GLU A 18 10.918 -5.952 1.907 1.00 0.00 O ATOM 0 H GLU A 18 7.560 -2.659 -0.316 1.00 0.00 H new ATOM 0 HA GLU A 18 7.359 -3.712 2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.568 -2.088 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.781 -2.777 2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.864 -4.534 0.183 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.556 -4.096 0.313 1.00 0.00 H new ATOM 258 N LYS A 19 7.815 -0.451 2.506 1.00 0.00 N ATOM 259 CA LYS A 19 7.626 0.659 3.433 1.00 0.00 C ATOM 260 C LYS A 19 6.162 0.783 3.842 1.00 0.00 C ATOM 261 O LYS A 19 5.852 1.122 4.985 1.00 0.00 O ATOM 262 CB LYS A 19 8.102 1.968 2.798 1.00 0.00 C ATOM 263 CG LYS A 19 7.012 2.709 2.043 1.00 0.00 C ATOM 264 CD LYS A 19 7.592 3.586 0.946 1.00 0.00 C ATOM 265 CE LYS A 19 8.208 4.855 1.514 1.00 0.00 C ATOM 266 NZ LYS A 19 9.632 4.655 1.902 1.00 0.00 N ATOM 0 H LYS A 19 8.207 -0.184 1.603 1.00 0.00 H new ATOM 0 HA LYS A 19 8.219 0.459 4.326 1.00 0.00 H new ATOM 0 HB2 LYS A 19 8.498 2.618 3.578 1.00 0.00 H new ATOM 0 HB3 LYS A 19 8.924 1.753 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.317 1.991 1.607 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.440 3.324 2.738 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.349 3.028 0.395 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.808 3.847 0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.142 5.653 0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.636 5.178 2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.752 4.878 2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.902 3.665 1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.238 5.282 1.335 1.00 0.00 H new ATOM 280 N LEU A 20 5.264 0.506 2.903 1.00 0.00 N ATOM 281 CA LEU A 20 3.832 0.585 3.166 1.00 0.00 C ATOM 282 C LEU A 20 3.420 -0.412 4.244 1.00 0.00 C ATOM 283 O LEU A 20 2.820 -0.040 5.253 1.00 0.00 O ATOM 284 CB LEU A 20 3.042 0.321 1.883 1.00 0.00 C ATOM 285 CG LEU A 20 1.526 0.498 1.979 1.00 0.00 C ATOM 286 CD1 LEU A 20 1.183 1.880 2.513 1.00 0.00 C ATOM 287 CD2 LEU A 20 0.876 0.272 0.622 1.00 0.00 C ATOM 0 H LEU A 20 5.503 0.225 1.952 1.00 0.00 H new ATOM 0 HA LEU A 20 3.609 1.591 3.523 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.417 0.987 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.249 -0.698 1.556 1.00 0.00 H new ATOM 0 HG LEU A 20 1.136 -0.245 2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.100 1.988 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.617 2.005 3.505 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.586 2.639 1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.203 0.402 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.271 0.991 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.093 -0.739 0.279 1.00 0.00 H new ATOM 299 N LEU A 21 3.748 -1.681 4.025 1.00 0.00 N ATOM 300 CA LEU A 21 3.414 -2.733 4.979 1.00 0.00 C ATOM 301 C LEU A 21 3.920 -2.382 6.375 1.00 0.00 C ATOM 302 O LEU A 21 3.250 -2.646 7.374 1.00 0.00 O ATOM 303 CB LEU A 21 4.012 -4.066 4.527 1.00 0.00 C ATOM 304 CG LEU A 21 3.368 -4.709 3.299 1.00 0.00 C ATOM 305 CD1 LEU A 21 2.252 -5.654 3.714 1.00 0.00 C ATOM 306 CD2 LEU A 21 2.840 -3.640 2.353 1.00 0.00 C ATOM 0 H LEU A 21 4.245 -2.006 3.196 1.00 0.00 H new ATOM 0 HA LEU A 21 2.328 -2.824 5.018 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.071 -3.914 4.319 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.948 -4.770 5.357 1.00 0.00 H new ATOM 0 HG LEU A 21 4.129 -5.287 2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.806 -6.102 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.658 -6.439 4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.491 -5.099 4.262 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.385 -4.116 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.094 -3.035 2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.663 -3.003 2.028 1.00 0.00 H new ATOM 318 N HIS A 22 5.106 -1.785 6.436 1.00 0.00 N ATOM 319 CA HIS A 22 5.701 -1.395 7.710 1.00 0.00 C ATOM 320 C HIS A 22 4.864 -0.317 8.393 1.00 0.00 C ATOM 321 O HIS A 22 4.414 -0.491 9.526 1.00 0.00 O ATOM 322 CB HIS A 22 7.128 -0.891 7.497 1.00 0.00 C ATOM 323 CG HIS A 22 7.856 -0.596 8.773 1.00 0.00 C ATOM 324 ND1 HIS A 22 8.191 0.583 9.348 1.00 0.00 N flip ATOM 325 CD2 HIS A 22 8.329 -1.580 9.614 1.00 0.00 C flip ATOM 326 CE1 HIS A 22 8.854 0.292 10.515 1.00 0.00 C flip ATOM 327 NE2 HIS A 22 8.923 -1.020 10.653 1.00 0.00 N flip ATOM 0 H HIS A 22 5.674 -1.561 5.619 1.00 0.00 H new ATOM 0 HA HIS A 22 5.727 -2.273 8.355 1.00 0.00 H new ATOM 0 HB2 HIS A 22 7.688 -1.637 6.933 1.00 0.00 H new ATOM 0 HB3 HIS A 22 7.098 0.013 6.888 1.00 0.00 H new ATOM 0 HD2 HIS A 22 8.230 -2.643 9.450 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.254 1.018 11.207 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.360 -1.516 11.429 1.00 0.00 H new ATOM 336 N LEU A 23 4.661 0.796 7.697 1.00 0.00 N ATOM 337 CA LEU A 23 3.879 1.903 8.237 1.00 0.00 C ATOM 338 C LEU A 23 2.477 1.442 8.623 1.00 0.00 C ATOM 339 O LEU A 23 2.107 1.464 9.797 1.00 0.00 O ATOM 340 CB LEU A 23 3.791 3.037 7.214 1.00 0.00 C ATOM 341 CG LEU A 23 4.982 3.996 7.171 1.00 0.00 C ATOM 342 CD1 LEU A 23 5.226 4.480 5.751 1.00 0.00 C ATOM 343 CD2 LEU A 23 4.753 5.174 8.106 1.00 0.00 C ATOM 0 H LEU A 23 5.027 0.956 6.758 1.00 0.00 H new ATOM 0 HA LEU A 23 4.381 2.268 9.133 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.668 2.598 6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.891 3.616 7.420 1.00 0.00 H new ATOM 0 HG LEU A 23 5.869 3.459 7.507 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.077 5.161 5.740 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.436 3.626 5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.340 5.000 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.611 5.845 8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.855 5.712 7.801 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.629 4.810 9.126 1.00 0.00 H new ATOM 355 N ALA A 24 1.702 1.023 7.628 1.00 0.00 N ATOM 356 CA ALA A 24 0.343 0.552 7.864 1.00 0.00 C ATOM 357 C ALA A 24 0.237 -0.170 9.203 1.00 0.00 C ATOM 358 O ALA A 24 -0.674 0.090 9.990 1.00 0.00 O ATOM 359 CB ALA A 24 -0.103 -0.362 6.733 1.00 0.00 C ATOM 0 H ALA A 24 1.992 1.000 6.650 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.315 1.420 7.896 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.120 -0.706 6.923 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.075 0.185 5.791 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.566 -1.221 6.674 1.00 0.00 H new ATOM 365 N LYS A 25 1.173 -1.078 9.456 1.00 0.00 N ATOM 366 CA LYS A 25 1.186 -1.838 10.701 1.00 0.00 C ATOM 367 C LYS A 25 1.473 -0.928 11.891 1.00 0.00 C ATOM 368 O LYS A 25 0.844 -1.049 12.943 1.00 0.00 O ATOM 369 CB LYS A 25 2.235 -2.951 10.632 1.00 0.00 C ATOM 370 CG LYS A 25 2.484 -3.635 11.965 1.00 0.00 C ATOM 371 CD LYS A 25 3.663 -4.590 11.889 1.00 0.00 C ATOM 372 CE LYS A 25 4.373 -4.706 13.229 1.00 0.00 C ATOM 373 NZ LYS A 25 4.996 -6.046 13.412 1.00 0.00 N ATOM 0 H LYS A 25 1.933 -1.306 8.815 1.00 0.00 H new ATOM 0 HA LYS A 25 0.200 -2.283 10.836 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.914 -3.697 9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.173 -2.533 10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.672 -2.883 12.731 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.591 -4.181 12.267 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.316 -5.574 11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.366 -4.242 11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.141 -3.936 13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 25 3.661 -4.523 14.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.470 -6.085 14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.260 -6.780 13.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.694 -6.210 12.658 1.00 0.00 H new ATOM 387 N LEU A 26 2.425 -0.018 11.718 1.00 0.00 N ATOM 388 CA LEU A 26 2.793 0.914 12.778 1.00 0.00 C ATOM 389 C LEU A 26 1.597 1.761 13.199 1.00 0.00 C ATOM 390 O LEU A 26 1.247 1.816 14.378 1.00 0.00 O ATOM 391 CB LEU A 26 3.935 1.820 12.313 1.00 0.00 C ATOM 392 CG LEU A 26 5.284 1.137 12.087 1.00 0.00 C ATOM 393 CD1 LEU A 26 6.065 1.847 10.993 1.00 0.00 C ATOM 394 CD2 LEU A 26 6.087 1.100 13.380 1.00 0.00 C ATOM 0 H LEU A 26 2.956 0.094 10.854 1.00 0.00 H new ATOM 0 HA LEU A 26 3.124 0.334 13.639 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.634 2.302 11.383 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.070 2.610 13.052 1.00 0.00 H new ATOM 0 HG LEU A 26 5.101 0.111 11.767 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.022 1.347 10.846 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.496 1.821 10.064 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.238 2.883 11.283 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.044 0.610 13.200 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.260 2.118 13.730 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.532 0.545 14.137 1.00 0.00 H new ATOM 406 N MET A 27 0.972 2.418 12.228 1.00 0.00 N ATOM 407 CA MET A 27 -0.188 3.260 12.498 1.00 0.00 C ATOM 408 C MET A 27 -1.291 3.010 11.475 1.00 0.00 C ATOM 409 O MET A 27 -1.415 3.717 10.475 1.00 0.00 O ATOM 410 CB MET A 27 0.212 4.736 12.484 1.00 0.00 C ATOM 411 CG MET A 27 1.527 5.017 13.193 1.00 0.00 C ATOM 412 SD MET A 27 1.998 6.755 13.119 1.00 0.00 S ATOM 413 CE MET A 27 2.943 6.786 11.598 1.00 0.00 C ATOM 0 H MET A 27 1.249 2.384 11.247 1.00 0.00 H new ATOM 0 HA MET A 27 -0.569 3.004 13.487 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.287 5.074 11.450 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.577 5.322 12.955 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.446 4.711 14.236 1.00 0.00 H new ATOM 0 HG3 MET A 27 2.314 4.412 12.743 1.00 0.00 H new ATOM 0 HE1 MET A 27 3.304 7.798 11.414 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.792 6.108 11.683 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.309 6.471 10.769 1.00 0.00 H new ATOM 423 N PRO A 28 -2.112 1.979 11.727 1.00 0.00 N ATOM 424 CA PRO A 28 -3.219 1.613 10.839 1.00 0.00 C ATOM 425 C PRO A 28 -4.345 2.642 10.861 1.00 0.00 C ATOM 426 O PRO A 28 -5.279 2.572 10.062 1.00 0.00 O ATOM 427 CB PRO A 28 -3.704 0.278 11.410 1.00 0.00 C ATOM 428 CG PRO A 28 -3.306 0.312 12.845 1.00 0.00 C ATOM 429 CD PRO A 28 -2.023 1.093 12.900 1.00 0.00 C ATOM 0 HA PRO A 28 -2.905 1.558 9.797 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.783 0.170 11.301 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.245 -0.564 10.892 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.077 0.785 13.453 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -3.166 -0.696 13.235 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -1.938 1.661 13.827 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.152 0.440 12.845 1.00 0.00 H new ATOM 437 N THR A 29 -4.249 3.597 11.780 1.00 0.00 N ATOM 438 CA THR A 29 -5.259 4.640 11.906 1.00 0.00 C ATOM 439 C THR A 29 -4.644 6.025 11.741 1.00 0.00 C ATOM 440 O THR A 29 -5.160 7.010 12.267 1.00 0.00 O ATOM 441 CB THR A 29 -5.974 4.568 13.269 1.00 0.00 C ATOM 442 OG1 THR A 29 -5.017 4.661 14.330 1.00 0.00 O ATOM 443 CG2 THR A 29 -6.760 3.272 13.400 1.00 0.00 C ATOM 0 H THR A 29 -3.482 3.670 12.448 1.00 0.00 H new ATOM 0 HA THR A 29 -5.987 4.472 11.112 1.00 0.00 H new ATOM 0 HB THR A 29 -6.670 5.404 13.334 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.480 4.616 15.193 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.256 3.244 14.370 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.508 3.218 12.609 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.080 2.424 13.315 1.00 0.00 H new ATOM 451 N GLN A 30 -3.538 6.092 11.007 1.00 0.00 N ATOM 452 CA GLN A 30 -2.852 7.357 10.773 1.00 0.00 C ATOM 453 C GLN A 30 -2.475 7.508 9.303 1.00 0.00 C ATOM 454 O GLN A 30 -1.421 8.054 8.976 1.00 0.00 O ATOM 455 CB GLN A 30 -1.600 7.452 11.646 1.00 0.00 C ATOM 456 CG GLN A 30 -1.900 7.555 13.132 1.00 0.00 C ATOM 457 CD GLN A 30 -2.905 8.645 13.451 1.00 0.00 C ATOM 458 OE1 GLN A 30 -3.961 8.285 14.171 1.00 0.00 O flip ATOM 459 NE2 GLN A 30 -2.734 9.798 13.053 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.098 5.285 10.564 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.533 8.165 11.039 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.977 6.575 11.470 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.019 8.322 11.340 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -2.282 6.598 13.489 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.974 7.750 13.673 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.907 10.030 12.502 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.419 10.521 13.274 1.00 0.00 H new ATOM 468 N TRP A 31 -3.341 7.022 8.422 1.00 0.00 N ATOM 469 CA TRP A 31 -3.098 7.102 6.986 1.00 0.00 C ATOM 470 C TRP A 31 -2.773 8.532 6.569 1.00 0.00 C ATOM 471 O TRP A 31 -1.899 8.761 5.733 1.00 0.00 O ATOM 472 CB TRP A 31 -4.316 6.596 6.212 1.00 0.00 C ATOM 473 CG TRP A 31 -4.736 5.212 6.605 1.00 0.00 C ATOM 474 CD1 TRP A 31 -5.832 4.866 7.343 1.00 0.00 C ATOM 475 CD2 TRP A 31 -4.065 3.989 6.282 1.00 0.00 C ATOM 476 NE1 TRP A 31 -5.883 3.502 7.499 1.00 0.00 N ATOM 477 CE2 TRP A 31 -4.811 2.940 6.856 1.00 0.00 C ATOM 478 CE3 TRP A 31 -2.909 3.677 5.562 1.00 0.00 C ATOM 479 CZ2 TRP A 31 -4.435 1.605 6.732 1.00 0.00 C ATOM 480 CZ3 TRP A 31 -2.537 2.351 5.440 1.00 0.00 C ATOM 481 CH2 TRP A 31 -3.299 1.329 6.022 1.00 0.00 C ATOM 0 H TRP A 31 -4.218 6.568 8.676 1.00 0.00 H new ATOM 0 HA TRP A 31 -2.241 6.471 6.752 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -5.149 7.280 6.372 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -4.092 6.611 5.145 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.553 5.563 7.745 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -6.602 2.990 8.010 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -2.316 4.458 5.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -5.020 0.815 7.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.644 2.099 4.887 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -2.983 0.303 5.908 1.00 0.00 H new ATOM 492 N ARG A 32 -3.482 9.491 7.155 1.00 0.00 N ATOM 493 CA ARG A 32 -3.270 10.899 6.842 1.00 0.00 C ATOM 494 C ARG A 32 -1.835 11.314 7.154 1.00 0.00 C ATOM 495 O ARG A 32 -1.352 12.335 6.664 1.00 0.00 O ATOM 496 CB ARG A 32 -4.248 11.772 7.631 1.00 0.00 C ATOM 497 CG ARG A 32 -5.639 11.832 7.022 1.00 0.00 C ATOM 498 CD ARG A 32 -6.353 13.123 7.390 1.00 0.00 C ATOM 499 NE ARG A 32 -6.735 13.153 8.800 1.00 0.00 N ATOM 500 CZ ARG A 32 -7.576 14.044 9.314 1.00 0.00 C ATOM 501 NH1 ARG A 32 -8.120 14.972 8.538 1.00 0.00 N ATOM 502 NH2 ARG A 32 -7.875 14.007 10.606 1.00 0.00 N ATOM 0 H ARG A 32 -4.209 9.318 7.850 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.448 11.040 5.776 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.323 11.390 8.649 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.846 12.783 7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.566 11.752 5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.225 10.980 7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.704 13.971 7.172 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.243 13.235 6.771 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.334 12.452 9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.893 15.003 7.544 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.765 15.655 8.935 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.459 13.294 11.205 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.521 14.691 11.000 1.00 0.00 H new ATOM 516 N THR A 33 -1.158 10.516 7.974 1.00 0.00 N ATOM 517 CA THR A 33 0.220 10.801 8.353 1.00 0.00 C ATOM 518 C THR A 33 1.201 10.011 7.494 1.00 0.00 C ATOM 519 O THR A 33 2.283 10.498 7.163 1.00 0.00 O ATOM 520 CB THR A 33 0.474 10.473 9.836 1.00 0.00 C ATOM 521 OG1 THR A 33 -0.447 11.193 10.662 1.00 0.00 O ATOM 522 CG2 THR A 33 1.900 10.826 10.232 1.00 0.00 C ATOM 0 H THR A 33 -1.542 9.667 8.388 1.00 0.00 H new ATOM 0 HA THR A 33 0.378 11.867 8.192 1.00 0.00 H new ATOM 0 HB THR A 33 0.328 9.402 9.978 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.280 10.977 11.603 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.056 10.586 11.284 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.599 10.254 9.622 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.068 11.891 10.075 1.00 0.00 H new ATOM 530 N ILE A 34 0.816 8.791 7.135 1.00 0.00 N ATOM 531 CA ILE A 34 1.662 7.935 6.313 1.00 0.00 C ATOM 532 C ILE A 34 1.722 8.439 4.875 1.00 0.00 C ATOM 533 O ILE A 34 2.744 8.307 4.203 1.00 0.00 O ATOM 534 CB ILE A 34 1.159 6.479 6.314 1.00 0.00 C ATOM 535 CG1 ILE A 34 1.181 5.910 7.734 1.00 0.00 C ATOM 536 CG2 ILE A 34 2.007 5.625 5.382 1.00 0.00 C ATOM 537 CD1 ILE A 34 0.549 4.540 7.846 1.00 0.00 C ATOM 0 H ILE A 34 -0.076 8.373 7.400 1.00 0.00 H new ATOM 0 HA ILE A 34 2.661 7.966 6.748 1.00 0.00 H new ATOM 0 HB ILE A 34 0.131 6.465 5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.214 5.854 8.078 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.660 6.597 8.400 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.639 4.599 5.393 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.945 6.021 4.368 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.044 5.642 5.716 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.600 4.199 8.880 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.494 4.594 7.533 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.085 3.839 7.206 1.00 0.00 H new ATOM 549 N ALA A 35 0.620 9.018 4.411 1.00 0.00 N ATOM 550 CA ALA A 35 0.548 9.546 3.054 1.00 0.00 C ATOM 551 C ALA A 35 1.741 10.448 2.752 1.00 0.00 C ATOM 552 O ALA A 35 2.498 10.221 1.808 1.00 0.00 O ATOM 553 CB ALA A 35 -0.754 10.306 2.851 1.00 0.00 C ATOM 0 H ALA A 35 -0.235 9.133 4.955 1.00 0.00 H new ATOM 0 HA ALA A 35 0.576 8.705 2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.794 10.694 1.833 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.597 9.635 3.016 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.806 11.134 3.558 1.00 0.00 H new ATOM 559 N PRO A 36 1.913 11.496 3.571 1.00 0.00 N ATOM 560 CA PRO A 36 3.012 12.453 3.411 1.00 0.00 C ATOM 561 C PRO A 36 4.367 11.842 3.749 1.00 0.00 C ATOM 562 O PRO A 36 5.412 12.430 3.466 1.00 0.00 O ATOM 563 CB PRO A 36 2.663 13.563 4.406 1.00 0.00 C ATOM 564 CG PRO A 36 1.823 12.896 5.439 1.00 0.00 C ATOM 565 CD PRO A 36 1.049 11.828 4.716 1.00 0.00 C ATOM 0 HA PRO A 36 3.105 12.798 2.381 1.00 0.00 H new ATOM 0 HB2 PRO A 36 3.561 13.997 4.846 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.122 14.375 3.920 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.441 12.465 6.226 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.151 13.610 5.916 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.873 10.960 5.351 1.00 0.00 H new ATOM 0 HD3 PRO A 36 0.073 12.189 4.392 1.00 0.00 H new ATOM 573 N ILE A 37 4.343 10.659 4.354 1.00 0.00 N ATOM 574 CA ILE A 37 5.571 9.968 4.728 1.00 0.00 C ATOM 575 C ILE A 37 6.042 9.042 3.612 1.00 0.00 C ATOM 576 O ILE A 37 7.202 8.628 3.584 1.00 0.00 O ATOM 577 CB ILE A 37 5.383 9.146 6.017 1.00 0.00 C ATOM 578 CG1 ILE A 37 5.173 10.075 7.215 1.00 0.00 C ATOM 579 CG2 ILE A 37 6.584 8.240 6.247 1.00 0.00 C ATOM 580 CD1 ILE A 37 4.697 9.359 8.459 1.00 0.00 C ATOM 0 H ILE A 37 3.487 10.159 4.595 1.00 0.00 H new ATOM 0 HA ILE A 37 6.325 10.735 4.902 1.00 0.00 H new ATOM 0 HB ILE A 37 4.497 8.521 5.906 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.110 10.587 7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.446 10.842 6.947 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.437 7.666 7.162 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.692 7.558 5.404 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.485 8.847 6.341 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.570 10.079 9.267 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.744 8.870 8.255 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.433 8.611 8.752 1.00 0.00 H new ATOM 592 N ILE A 38 5.137 8.722 2.694 1.00 0.00 N ATOM 593 CA ILE A 38 5.461 7.848 1.574 1.00 0.00 C ATOM 594 C ILE A 38 5.482 8.622 0.260 1.00 0.00 C ATOM 595 O ILE A 38 6.281 8.333 -0.629 1.00 0.00 O ATOM 596 CB ILE A 38 4.457 6.686 1.457 1.00 0.00 C ATOM 597 CG1 ILE A 38 4.580 5.753 2.663 1.00 0.00 C ATOM 598 CG2 ILE A 38 4.681 5.920 0.162 1.00 0.00 C ATOM 599 CD1 ILE A 38 3.783 4.475 2.522 1.00 0.00 C ATOM 0 H ILE A 38 4.173 9.055 2.704 1.00 0.00 H new ATOM 0 HA ILE A 38 6.453 7.441 1.769 1.00 0.00 H new ATOM 0 HB ILE A 38 3.448 7.098 1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.630 5.502 2.812 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.248 6.282 3.557 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.964 5.102 0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.547 6.592 -0.686 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.694 5.517 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.917 3.862 3.413 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.727 4.716 2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.130 3.924 1.648 1.00 0.00 H new ATOM 611 N GLY A 39 4.598 9.608 0.147 1.00 0.00 N ATOM 612 CA GLY A 39 4.532 10.410 -1.061 1.00 0.00 C ATOM 613 C GLY A 39 3.143 10.433 -1.667 1.00 0.00 C ATOM 614 O GLY A 39 2.741 11.425 -2.276 1.00 0.00 O ATOM 0 H GLY A 39 3.926 9.866 0.870 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.843 11.430 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.238 10.017 -1.793 1.00 0.00 H new ATOM 618 N ARG A 40 2.409 9.338 -1.502 1.00 0.00 N ATOM 619 CA ARG A 40 1.058 9.235 -2.040 1.00 0.00 C ATOM 620 C ARG A 40 0.027 9.686 -1.009 1.00 0.00 C ATOM 621 O ARG A 40 0.359 9.938 0.149 1.00 0.00 O ATOM 622 CB ARG A 40 0.766 7.798 -2.473 1.00 0.00 C ATOM 623 CG ARG A 40 1.213 7.487 -3.893 1.00 0.00 C ATOM 624 CD ARG A 40 1.511 6.007 -4.072 1.00 0.00 C ATOM 625 NE ARG A 40 1.254 5.558 -5.437 1.00 0.00 N ATOM 626 CZ ARG A 40 1.962 5.957 -6.488 1.00 0.00 C ATOM 627 NH1 ARG A 40 2.966 6.810 -6.330 1.00 0.00 N ATOM 628 NH2 ARG A 40 1.668 5.504 -7.699 1.00 0.00 N ATOM 0 H ARG A 40 2.727 8.509 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 40 0.989 9.890 -2.909 1.00 0.00 H new ATOM 0 HB2 ARG A 40 1.263 7.113 -1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.305 7.613 -2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.436 7.790 -4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 40 2.103 8.070 -4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.553 5.814 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.901 5.428 -3.379 1.00 0.00 H new ATOM 0 HE ARG A 40 0.489 4.902 -5.592 1.00 0.00 H new ATOM 0 HH11 ARG A 40 3.196 7.161 -5.400 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.508 7.115 -7.138 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.897 4.848 -7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.213 5.812 -8.505 1.00 0.00 H new ATOM 642 N THR A 41 -1.227 9.787 -1.439 1.00 0.00 N ATOM 643 CA THR A 41 -2.307 10.209 -0.556 1.00 0.00 C ATOM 644 C THR A 41 -2.781 9.056 0.323 1.00 0.00 C ATOM 645 O THR A 41 -2.514 7.891 0.031 1.00 0.00 O ATOM 646 CB THR A 41 -3.505 10.757 -1.354 1.00 0.00 C ATOM 647 OG1 THR A 41 -4.098 9.709 -2.129 1.00 0.00 O ATOM 648 CG2 THR A 41 -3.071 11.889 -2.272 1.00 0.00 C ATOM 0 H THR A 41 -1.520 9.582 -2.394 1.00 0.00 H new ATOM 0 HA THR A 41 -1.907 11.003 0.075 1.00 0.00 H new ATOM 0 HB THR A 41 -4.238 11.145 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.860 10.065 -2.632 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.934 12.260 -2.825 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.646 12.698 -1.677 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.321 11.522 -2.973 1.00 0.00 H new ATOM 656 N ALA A 42 -3.485 9.390 1.399 1.00 0.00 N ATOM 657 CA ALA A 42 -3.998 8.382 2.319 1.00 0.00 C ATOM 658 C ALA A 42 -4.853 7.354 1.585 1.00 0.00 C ATOM 659 O ALA A 42 -4.788 6.160 1.874 1.00 0.00 O ATOM 660 CB ALA A 42 -4.800 9.042 3.430 1.00 0.00 C ATOM 0 H ALA A 42 -3.713 10.351 1.655 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.148 7.861 2.760 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.177 8.278 4.110 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.160 9.733 3.979 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.638 9.589 2.998 1.00 0.00 H new ATOM 666 N ALA A 43 -5.653 7.827 0.636 1.00 0.00 N ATOM 667 CA ALA A 43 -6.520 6.948 -0.140 1.00 0.00 C ATOM 668 C ALA A 43 -5.703 5.956 -0.961 1.00 0.00 C ATOM 669 O ALA A 43 -5.958 4.753 -0.930 1.00 0.00 O ATOM 670 CB ALA A 43 -7.426 7.767 -1.048 1.00 0.00 C ATOM 0 H ALA A 43 -5.719 8.814 0.386 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.138 6.381 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.068 7.098 -1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.043 8.431 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.817 8.359 -1.731 1.00 0.00 H new ATOM 676 N GLN A 44 -4.720 6.469 -1.694 1.00 0.00 N ATOM 677 CA GLN A 44 -3.867 5.628 -2.524 1.00 0.00 C ATOM 678 C GLN A 44 -3.109 4.614 -1.673 1.00 0.00 C ATOM 679 O GLN A 44 -3.054 3.429 -2.004 1.00 0.00 O ATOM 680 CB GLN A 44 -2.880 6.488 -3.315 1.00 0.00 C ATOM 681 CG GLN A 44 -3.461 7.056 -4.599 1.00 0.00 C ATOM 682 CD GLN A 44 -2.417 7.738 -5.461 1.00 0.00 C ATOM 683 OE1 GLN A 44 -1.861 8.836 -4.963 1.00 0.00 O flip ATOM 684 NE2 GLN A 44 -2.112 7.282 -6.564 1.00 0.00 N flip ATOM 0 H GLN A 44 -4.495 7.463 -1.730 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.504 5.085 -3.222 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -2.541 7.310 -2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.002 5.889 -3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.928 6.252 -5.168 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.246 7.771 -4.353 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.564 6.435 -6.909 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -1.407 7.751 -7.133 1.00 0.00 H new ATOM 693 N CYS A 45 -2.525 5.088 -0.578 1.00 0.00 N ATOM 694 CA CYS A 45 -1.768 4.223 0.320 1.00 0.00 C ATOM 695 C CYS A 45 -2.667 3.151 0.928 1.00 0.00 C ATOM 696 O CYS A 45 -2.369 1.958 0.850 1.00 0.00 O ATOM 697 CB CYS A 45 -1.118 5.050 1.430 1.00 0.00 C ATOM 698 SG CYS A 45 0.132 6.218 0.845 1.00 0.00 S ATOM 0 H CYS A 45 -2.561 6.066 -0.291 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.988 3.731 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -1.895 5.601 1.960 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.659 4.374 2.151 1.00 0.00 H new ATOM 0 HG CYS A 45 -0.453 7.249 0.311 1.00 0.00 H new ATOM 704 N LEU A 46 -3.767 3.583 1.535 1.00 0.00 N ATOM 705 CA LEU A 46 -4.709 2.660 2.159 1.00 0.00 C ATOM 706 C LEU A 46 -5.261 1.672 1.136 1.00 0.00 C ATOM 707 O LEU A 46 -5.254 0.463 1.362 1.00 0.00 O ATOM 708 CB LEU A 46 -5.858 3.435 2.808 1.00 0.00 C ATOM 709 CG LEU A 46 -7.082 2.610 3.208 1.00 0.00 C ATOM 710 CD1 LEU A 46 -6.714 1.594 4.278 1.00 0.00 C ATOM 711 CD2 LEU A 46 -8.201 3.519 3.694 1.00 0.00 C ATOM 0 H LEU A 46 -4.029 4.566 1.608 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.177 2.100 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.475 3.935 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.180 4.214 2.117 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.436 2.069 2.330 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.597 1.016 4.550 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.946 0.923 3.894 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.335 2.114 5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.064 2.915 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.859 4.087 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.483 4.207 2.897 1.00 0.00 H new ATOM 723 N GLU A 47 -5.736 2.196 0.010 1.00 0.00 N ATOM 724 CA GLU A 47 -6.290 1.359 -1.047 1.00 0.00 C ATOM 725 C GLU A 47 -5.297 0.277 -1.461 1.00 0.00 C ATOM 726 O GLU A 47 -5.619 -0.912 -1.456 1.00 0.00 O ATOM 727 CB GLU A 47 -6.665 2.213 -2.260 1.00 0.00 C ATOM 728 CG GLU A 47 -7.666 1.545 -3.188 1.00 0.00 C ATOM 729 CD GLU A 47 -8.199 2.490 -4.247 1.00 0.00 C ATOM 730 OE1 GLU A 47 -9.081 3.311 -3.920 1.00 0.00 O ATOM 731 OE2 GLU A 47 -7.735 2.408 -5.404 1.00 0.00 O ATOM 0 H GLU A 47 -5.748 3.196 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.187 0.876 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.079 3.160 -1.913 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.761 2.447 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.193 0.691 -3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.498 1.157 -2.600 1.00 0.00 H new ATOM 738 N HIS A 48 -4.087 0.697 -1.818 1.00 0.00 N ATOM 739 CA HIS A 48 -3.046 -0.236 -2.235 1.00 0.00 C ATOM 740 C HIS A 48 -2.736 -1.235 -1.124 1.00 0.00 C ATOM 741 O HIS A 48 -2.773 -2.447 -1.338 1.00 0.00 O ATOM 742 CB HIS A 48 -1.777 0.523 -2.622 1.00 0.00 C ATOM 743 CG HIS A 48 -0.745 -0.335 -3.287 1.00 0.00 C ATOM 744 ND1 HIS A 48 -0.910 -0.869 -4.548 1.00 0.00 N ATOM 745 CD2 HIS A 48 0.471 -0.749 -2.861 1.00 0.00 C ATOM 746 CE1 HIS A 48 0.160 -1.576 -4.867 1.00 0.00 C ATOM 747 NE2 HIS A 48 1.013 -1.519 -3.860 1.00 0.00 N ATOM 0 H HIS A 48 -3.803 1.677 -1.827 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.411 -0.785 -3.103 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.043 1.342 -3.291 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.344 0.970 -1.727 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.729 -0.739 -5.141 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.930 -0.517 -1.911 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.311 -2.110 -5.794 1.00 0.00 H new ATOM 756 N TYR A 49 -2.430 -0.719 0.061 1.00 0.00 N ATOM 757 CA TYR A 49 -2.111 -1.566 1.204 1.00 0.00 C ATOM 758 C TYR A 49 -3.079 -2.742 1.299 1.00 0.00 C ATOM 759 O TYR A 49 -2.694 -3.894 1.101 1.00 0.00 O ATOM 760 CB TYR A 49 -2.153 -0.751 2.497 1.00 0.00 C ATOM 761 CG TYR A 49 -2.184 -1.600 3.748 1.00 0.00 C ATOM 762 CD1 TYR A 49 -1.098 -2.391 4.102 1.00 0.00 C ATOM 763 CD2 TYR A 49 -3.300 -1.613 4.575 1.00 0.00 C ATOM 764 CE1 TYR A 49 -1.122 -3.169 5.243 1.00 0.00 C ATOM 765 CE2 TYR A 49 -3.333 -2.386 5.719 1.00 0.00 C ATOM 766 CZ TYR A 49 -2.241 -3.163 6.049 1.00 0.00 C ATOM 767 OH TYR A 49 -2.270 -3.936 7.186 1.00 0.00 O ATOM 0 H TYR A 49 -2.396 0.282 0.255 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.104 -1.959 1.062 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -1.281 -0.098 2.533 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.033 -0.108 2.483 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -0.219 -2.398 3.474 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.157 -1.008 4.319 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -0.269 -3.779 5.503 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.208 -2.383 6.352 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.130 -3.816 7.641 1.00 0.00 H new ATOM 777 N GLU A 50 -4.338 -2.440 1.602 1.00 0.00 N ATOM 778 CA GLU A 50 -5.362 -3.471 1.723 1.00 0.00 C ATOM 779 C GLU A 50 -5.271 -4.466 0.570 1.00 0.00 C ATOM 780 O GLU A 50 -5.265 -5.679 0.782 1.00 0.00 O ATOM 781 CB GLU A 50 -6.754 -2.837 1.756 1.00 0.00 C ATOM 782 CG GLU A 50 -7.024 -2.024 3.011 1.00 0.00 C ATOM 783 CD GLU A 50 -8.436 -1.475 3.058 1.00 0.00 C ATOM 784 OE1 GLU A 50 -9.356 -2.233 3.431 1.00 0.00 O ATOM 785 OE2 GLU A 50 -8.621 -0.286 2.722 1.00 0.00 O ATOM 0 H GLU A 50 -4.673 -1.491 1.768 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.193 -4.007 2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.871 -2.193 0.884 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.504 -3.624 1.675 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.852 -2.648 3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.315 -1.198 3.064 1.00 0.00 H new ATOM 792 N PHE A 51 -5.201 -3.944 -0.650 1.00 0.00 N ATOM 793 CA PHE A 51 -5.112 -4.786 -1.837 1.00 0.00 C ATOM 794 C PHE A 51 -3.972 -5.792 -1.707 1.00 0.00 C ATOM 795 O PHE A 51 -4.089 -6.940 -2.138 1.00 0.00 O ATOM 796 CB PHE A 51 -4.907 -3.924 -3.085 1.00 0.00 C ATOM 797 CG PHE A 51 -4.358 -4.687 -4.257 1.00 0.00 C ATOM 798 CD1 PHE A 51 -5.209 -5.335 -5.138 1.00 0.00 C ATOM 799 CD2 PHE A 51 -2.992 -4.757 -4.477 1.00 0.00 C ATOM 800 CE1 PHE A 51 -4.708 -6.038 -6.217 1.00 0.00 C ATOM 801 CE2 PHE A 51 -2.485 -5.458 -5.555 1.00 0.00 C ATOM 802 CZ PHE A 51 -3.344 -6.100 -6.426 1.00 0.00 C ATOM 0 H PHE A 51 -5.204 -2.942 -0.842 1.00 0.00 H new ATOM 0 HA PHE A 51 -6.048 -5.336 -1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.859 -3.476 -3.368 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.228 -3.106 -2.844 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.276 -5.290 -4.979 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.316 -4.258 -3.799 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.382 -6.538 -6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.418 -5.504 -5.716 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.950 -6.649 -7.268 1.00 0.00 H new ATOM 812 N LEU A 52 -2.869 -5.353 -1.109 1.00 0.00 N ATOM 813 CA LEU A 52 -1.707 -6.214 -0.922 1.00 0.00 C ATOM 814 C LEU A 52 -2.052 -7.413 -0.045 1.00 0.00 C ATOM 815 O LEU A 52 -1.669 -8.545 -0.343 1.00 0.00 O ATOM 816 CB LEU A 52 -0.558 -5.422 -0.294 1.00 0.00 C ATOM 817 CG LEU A 52 -0.063 -4.213 -1.088 1.00 0.00 C ATOM 818 CD1 LEU A 52 0.825 -3.333 -0.222 1.00 0.00 C ATOM 819 CD2 LEU A 52 0.683 -4.664 -2.335 1.00 0.00 C ATOM 0 H LEU A 52 -2.756 -4.407 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.396 -6.581 -1.900 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.875 -5.079 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.282 -6.099 -0.140 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.928 -3.627 -1.398 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.168 -2.478 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.259 -2.982 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.686 -3.908 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.028 -3.791 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.540 -5.273 -2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.016 -5.252 -2.965 1.00 0.00 H new ATOM 831 N LEU A 53 -2.780 -7.158 1.037 1.00 0.00 N ATOM 832 CA LEU A 53 -3.181 -8.217 1.957 1.00 0.00 C ATOM 833 C LEU A 53 -3.914 -9.331 1.218 1.00 0.00 C ATOM 834 O LEU A 53 -3.562 -10.505 1.337 1.00 0.00 O ATOM 835 CB LEU A 53 -4.072 -7.649 3.062 1.00 0.00 C ATOM 836 CG LEU A 53 -3.366 -6.819 4.135 1.00 0.00 C ATOM 837 CD1 LEU A 53 -2.397 -7.685 4.926 1.00 0.00 C ATOM 838 CD2 LEU A 53 -2.638 -5.641 3.505 1.00 0.00 C ATOM 0 H LEU A 53 -3.105 -6.227 1.299 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.280 -8.636 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.840 -7.029 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.583 -8.478 3.551 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.119 -6.430 4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.903 -7.078 5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.944 -8.495 5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.649 -8.102 4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.141 -5.062 4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.895 -6.009 2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.355 -5.007 2.983 1.00 0.00 H new ATOM 850 N ASP A 54 -4.934 -8.956 0.454 1.00 0.00 N ATOM 851 CA ASP A 54 -5.716 -9.923 -0.308 1.00 0.00 C ATOM 852 C ASP A 54 -4.866 -10.575 -1.394 1.00 0.00 C ATOM 853 O ASP A 54 -4.921 -11.788 -1.597 1.00 0.00 O ATOM 854 CB ASP A 54 -6.935 -9.245 -0.935 1.00 0.00 C ATOM 855 CG ASP A 54 -8.097 -10.201 -1.120 1.00 0.00 C ATOM 856 OD1 ASP A 54 -7.928 -11.210 -1.837 1.00 0.00 O ATOM 857 OD2 ASP A 54 -9.176 -9.940 -0.548 1.00 0.00 O ATOM 0 H ASP A 54 -5.239 -7.989 0.346 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.055 -10.700 0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.249 -8.413 -0.304 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.657 -8.825 -1.901 1.00 0.00 H new ATOM 862 N LYS A 55 -4.080 -9.760 -2.091 1.00 0.00 N ATOM 863 CA LYS A 55 -3.218 -10.256 -3.157 1.00 0.00 C ATOM 864 C LYS A 55 -2.336 -11.396 -2.658 1.00 0.00 C ATOM 865 O LYS A 55 -2.247 -12.447 -3.291 1.00 0.00 O ATOM 866 CB LYS A 55 -2.345 -9.123 -3.703 1.00 0.00 C ATOM 867 CG LYS A 55 -1.352 -9.576 -4.759 1.00 0.00 C ATOM 868 CD LYS A 55 -0.435 -8.441 -5.184 1.00 0.00 C ATOM 869 CE LYS A 55 0.694 -8.941 -6.074 1.00 0.00 C ATOM 870 NZ LYS A 55 0.192 -9.414 -7.393 1.00 0.00 N ATOM 0 H LYS A 55 -4.023 -8.753 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.853 -10.636 -3.957 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.988 -8.352 -4.128 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.801 -8.665 -2.877 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.755 -10.401 -4.369 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.890 -9.955 -5.628 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.012 -7.685 -5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.017 -7.959 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.418 -8.140 -6.227 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.219 -9.754 -5.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.993 -9.731 -7.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.467 -10.206 -7.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.302 -8.636 -7.876 1.00 0.00 H new ATOM 884 N ALA A 56 -1.686 -11.180 -1.518 1.00 0.00 N ATOM 885 CA ALA A 56 -0.815 -12.191 -0.933 1.00 0.00 C ATOM 886 C ALA A 56 -1.571 -13.492 -0.686 1.00 0.00 C ATOM 887 O ALA A 56 -1.093 -14.573 -1.028 1.00 0.00 O ATOM 888 CB ALA A 56 -0.208 -11.677 0.364 1.00 0.00 C ATOM 0 H ALA A 56 -1.747 -10.314 -0.982 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.012 -12.397 -1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.441 -12.442 0.791 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.375 -10.779 0.162 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.004 -11.441 1.070 1.00 0.00 H new ATOM 894 N ALA A 57 -2.753 -13.380 -0.089 1.00 0.00 N ATOM 895 CA ALA A 57 -3.575 -14.548 0.202 1.00 0.00 C ATOM 896 C ALA A 57 -3.724 -15.435 -1.029 1.00 0.00 C ATOM 897 O ALA A 57 -3.593 -16.656 -0.944 1.00 0.00 O ATOM 898 CB ALA A 57 -4.943 -14.116 0.712 1.00 0.00 C ATOM 0 H ALA A 57 -3.163 -12.492 0.202 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.076 -15.129 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.547 -14.998 0.925 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -4.823 -13.529 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.440 -13.511 -0.047 1.00 0.00 H new ATOM 904 N GLN A 58 -3.998 -14.814 -2.171 1.00 0.00 N ATOM 905 CA GLN A 58 -4.166 -15.550 -3.419 1.00 0.00 C ATOM 906 C GLN A 58 -2.930 -16.389 -3.726 1.00 0.00 C ATOM 907 O GLN A 58 -3.039 -17.546 -4.135 1.00 0.00 O ATOM 908 CB GLN A 58 -4.439 -14.583 -4.573 1.00 0.00 C ATOM 909 CG GLN A 58 -5.650 -13.693 -4.346 1.00 0.00 C ATOM 910 CD GLN A 58 -6.956 -14.390 -4.672 1.00 0.00 C ATOM 911 OE1 GLN A 58 -7.005 -15.274 -5.529 1.00 0.00 O ATOM 912 NE2 GLN A 58 -8.025 -13.997 -3.989 1.00 0.00 N ATOM 0 H GLN A 58 -4.108 -13.804 -2.259 1.00 0.00 H new ATOM 0 HA GLN A 58 -5.019 -16.219 -3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.561 -13.956 -4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -4.585 -15.155 -5.489 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -5.666 -13.367 -3.306 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.558 -12.797 -4.960 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.940 -13.261 -3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.931 -14.431 -4.166 1.00 0.00 H new ATOM 921 N ARG A 59 -1.755 -15.800 -3.527 1.00 0.00 N ATOM 922 CA ARG A 59 -0.499 -16.493 -3.784 1.00 0.00 C ATOM 923 C ARG A 59 -0.445 -17.818 -3.029 1.00 0.00 C ATOM 924 O ARG A 59 -0.475 -17.845 -1.799 1.00 0.00 O ATOM 925 CB ARG A 59 0.685 -15.614 -3.379 1.00 0.00 C ATOM 926 CG ARG A 59 2.038 -16.254 -3.645 1.00 0.00 C ATOM 927 CD ARG A 59 3.179 -15.349 -3.206 1.00 0.00 C ATOM 928 NE ARG A 59 3.551 -15.574 -1.812 1.00 0.00 N ATOM 929 CZ ARG A 59 4.393 -16.523 -1.420 1.00 0.00 C ATOM 930 NH1 ARG A 59 4.949 -17.331 -2.313 1.00 0.00 N ATOM 931 NH2 ARG A 59 4.682 -16.665 -0.133 1.00 0.00 N ATOM 0 H ARG A 59 -1.647 -14.844 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.439 -16.701 -4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.627 -14.669 -3.920 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.606 -15.379 -2.318 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.102 -17.205 -3.116 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.135 -16.474 -4.708 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.045 -15.522 -3.845 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.887 -14.307 -3.340 1.00 0.00 H new ATOM 0 HE ARG A 59 3.142 -14.969 -1.100 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.730 -17.224 -3.303 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.595 -18.059 -2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.257 -16.045 0.557 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.329 -17.394 0.167 1.00 0.00 H new ATOM 945 N ASP A 60 -0.366 -18.915 -3.775 1.00 0.00 N ATOM 946 CA ASP A 60 -0.307 -20.244 -3.176 1.00 0.00 C ATOM 947 C ASP A 60 1.001 -20.943 -3.532 1.00 0.00 C ATOM 948 O ASP A 60 1.389 -20.999 -4.699 1.00 0.00 O ATOM 949 CB ASP A 60 -1.494 -21.088 -3.640 1.00 0.00 C ATOM 950 CG ASP A 60 -1.567 -22.425 -2.929 1.00 0.00 C ATOM 951 OD1 ASP A 60 -1.541 -22.436 -1.680 1.00 0.00 O ATOM 952 OD2 ASP A 60 -1.651 -23.461 -3.621 1.00 0.00 O ATOM 0 H ASP A 60 -0.341 -18.910 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.353 -20.130 -2.093 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.418 -20.537 -3.466 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.419 -21.255 -4.715 1.00 0.00 H new ATOM 957 N SER A 61 1.678 -21.474 -2.519 1.00 0.00 N ATOM 958 CA SER A 61 2.945 -22.165 -2.725 1.00 0.00 C ATOM 959 C SER A 61 2.712 -23.605 -3.172 1.00 0.00 C ATOM 960 O SER A 61 1.573 -24.059 -3.272 1.00 0.00 O ATOM 961 CB SER A 61 3.775 -22.146 -1.440 1.00 0.00 C ATOM 962 OG SER A 61 4.249 -20.841 -1.158 1.00 0.00 O ATOM 0 H SER A 61 1.370 -21.439 -1.547 1.00 0.00 H new ATOM 0 HA SER A 61 3.492 -21.643 -3.510 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.170 -22.504 -0.607 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.619 -22.829 -1.538 1.00 0.00 H new ATOM 0 HG SER A 61 4.775 -20.856 -0.331 1.00 0.00 H new ATOM 968 N GLY A 62 3.802 -24.319 -3.439 1.00 0.00 N ATOM 969 CA GLY A 62 3.696 -25.700 -3.872 1.00 0.00 C ATOM 970 C GLY A 62 3.230 -25.822 -5.309 1.00 0.00 C ATOM 971 O GLY A 62 2.431 -25.022 -5.796 1.00 0.00 O ATOM 0 H GLY A 62 4.756 -23.966 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.665 -26.187 -3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.000 -26.229 -3.221 1.00 0.00 H new ATOM 975 N PRO A 63 3.737 -26.845 -6.015 1.00 0.00 N ATOM 976 CA PRO A 63 3.382 -27.093 -7.415 1.00 0.00 C ATOM 977 C PRO A 63 1.942 -27.569 -7.574 1.00 0.00 C ATOM 978 O PRO A 63 1.254 -27.834 -6.588 1.00 0.00 O ATOM 979 CB PRO A 63 4.359 -28.192 -7.839 1.00 0.00 C ATOM 980 CG PRO A 63 4.716 -28.891 -6.572 1.00 0.00 C ATOM 981 CD PRO A 63 4.694 -27.838 -5.499 1.00 0.00 C ATOM 0 HA PRO A 63 3.449 -26.188 -8.018 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.900 -28.876 -8.553 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.242 -27.772 -8.322 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.005 -29.688 -6.352 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.700 -29.353 -6.645 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.372 -28.247 -4.541 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.681 -27.402 -5.344 1.00 0.00 H new ATOM 989 N SER A 64 1.493 -27.676 -8.820 1.00 0.00 N ATOM 990 CA SER A 64 0.133 -28.117 -9.107 1.00 0.00 C ATOM 991 C SER A 64 0.123 -29.158 -10.222 1.00 0.00 C ATOM 992 O SER A 64 0.659 -28.928 -11.306 1.00 0.00 O ATOM 993 CB SER A 64 -0.741 -26.925 -9.500 1.00 0.00 C ATOM 994 OG SER A 64 -1.980 -27.355 -10.037 1.00 0.00 O ATOM 0 H SER A 64 2.051 -27.463 -9.647 1.00 0.00 H new ATOM 0 HA SER A 64 -0.272 -28.573 -8.204 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.918 -26.297 -8.627 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.217 -26.312 -10.233 1.00 0.00 H new ATOM 0 HG SER A 64 -2.520 -26.574 -10.279 1.00 0.00 H new ATOM 1000 N SER A 65 -0.489 -30.305 -9.947 1.00 0.00 N ATOM 1001 CA SER A 65 -0.566 -31.385 -10.924 1.00 0.00 C ATOM 1002 C SER A 65 0.820 -31.735 -11.456 1.00 0.00 C ATOM 1003 O SER A 65 1.001 -31.958 -12.653 1.00 0.00 O ATOM 1004 CB SER A 65 -1.484 -30.988 -12.083 1.00 0.00 C ATOM 1005 OG SER A 65 -2.847 -31.160 -11.735 1.00 0.00 O ATOM 0 H SER A 65 -0.939 -30.511 -9.055 1.00 0.00 H new ATOM 0 HA SER A 65 -0.978 -32.263 -10.427 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.303 -29.948 -12.355 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.250 -31.592 -12.960 1.00 0.00 H new ATOM 0 HG SER A 65 -3.413 -30.898 -12.491 1.00 0.00 H new ATOM 1011 N GLY A 66 1.798 -31.782 -10.556 1.00 0.00 N ATOM 1012 CA GLY A 66 3.156 -32.106 -10.953 1.00 0.00 C ATOM 1013 C GLY A 66 3.963 -30.876 -11.317 1.00 0.00 C ATOM 1014 O GLY A 66 4.917 -30.524 -10.624 1.00 0.00 O ATOM 0 H GLY A 66 1.674 -31.602 -9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.653 -32.635 -10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.130 -32.785 -11.805 1.00 0.00 H new TER 1018 GLY A 66