USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=19 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 Single : A 1 ALA N :NH3+ -117:sc= 0.113 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.491 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -174:sc= -6.31! USER MOD Single : A 16 ASN : amide:sc= -1.71! C(o=-1.7!,f=-3.9!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.115 K(o=-0.12,f=-1.5) USER MOD Single : A 25 LYS NZ :NH3+ -113:sc= -4.83! (180deg=-5.73!) USER MOD Single : A 28 ASN :FLIP amide:sc= -0.708 F(o=-4.7!,f=-0.71) USER MOD Single : A 43 LYS NZ :NH3+ 150:sc= -4.99! (180deg=-8.65!) USER MOD Single : A 46 SER OG : rot -170:sc= -0.509 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 133:sc= 0.574! USER MOD Single : A 53 ASN : amide:sc= -2.21 K(o=-2.2,f=-8.5!) USER MOD Single : A 54 TYR OH : rot -47:sc= -2.55 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.697 K(o=0.7,f=-7.8!) USER MOD Single : B 1 THR OG1 : rot 180:sc= 0 USER MOD Single : B 3 LYS NZ :NH3+ 168:sc= -0.73! (180deg=-1.38!) USER MOD Single : B 4 THR OG1 : rot -72:sc= 1.12 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -3 LYS NZ :NH3+ -165:sc= -1.39! (180deg=-2.78!) USER MOD Single : B -5 SER OG : rot 180:sc= 0 USER MOD Single : B -6 HIS :FLIP no HD1:sc= -0.833 F(o=-1.9,f=-0.83) USER MOD Single : B -8 LYS NZ :NH3+ 173:sc= -1.57 (180deg=-1.73) USER MOD Single : B -10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.105 -14.341 -3.776 1.00 0.00 N ATOM 2 CA ALA A 1 3.293 -13.745 -2.683 1.00 0.00 C ATOM 3 C ALA A 1 1.865 -13.464 -3.152 1.00 0.00 C ATOM 4 O ALA A 1 1.550 -13.603 -4.333 1.00 0.00 O ATOM 5 CB ALA A 1 3.947 -12.463 -2.176 1.00 0.00 C ATOM 0 H1 ALA A 1 4.405 -15.299 -3.503 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.535 -14.391 -4.644 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.944 -13.751 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 1 3.246 -14.463 -1.865 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.341 -12.037 -1.376 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.944 -12.688 -1.796 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.024 -11.746 -2.993 1.00 0.00 H new ATOM 13 N PRO A 2 0.981 -13.066 -2.220 1.00 0.00 N ATOM 14 CA PRO A 2 -0.418 -12.753 -2.532 1.00 0.00 C ATOM 15 C PRO A 2 -0.544 -11.424 -3.256 1.00 0.00 C ATOM 16 O PRO A 2 0.420 -10.669 -3.364 1.00 0.00 O ATOM 17 CB PRO A 2 -1.067 -12.749 -1.140 1.00 0.00 C ATOM 18 CG PRO A 2 0.010 -12.314 -0.215 1.00 0.00 C ATOM 19 CD PRO A 2 1.288 -12.869 -0.784 1.00 0.00 C ATOM 0 HA PRO A 2 -0.894 -13.458 -3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.918 -12.068 -1.103 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.439 -13.739 -0.875 1.00 0.00 H new ATOM 0 HG2 PRO A 2 0.052 -11.227 -0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.165 -12.690 0.793 1.00 0.00 H new ATOM 0 HD2 PRO A 2 2.121 -12.179 -0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.566 -13.806 -0.302 1.00 0.00 H new ATOM 24 N TRP A 3 -1.735 -11.147 -3.755 1.00 0.00 N ATOM 25 CA TRP A 3 -1.993 -9.920 -4.491 1.00 0.00 C ATOM 26 C TRP A 3 -3.306 -9.301 -4.064 1.00 0.00 C ATOM 27 O TRP A 3 -4.129 -9.922 -3.391 1.00 0.00 O ATOM 28 CB TRP A 3 -2.018 -10.197 -5.990 1.00 0.00 C ATOM 29 CG TRP A 3 -3.198 -10.996 -6.409 1.00 0.00 C ATOM 30 CD1 TRP A 3 -3.350 -12.351 -6.430 1.00 0.00 C ATOM 31 CD2 TRP A 3 -4.407 -10.445 -6.857 1.00 0.00 C ATOM 32 NE1 TRP A 3 -4.612 -12.667 -6.878 1.00 0.00 N ATOM 33 CE2 TRP A 3 -5.282 -11.497 -7.155 1.00 0.00 C ATOM 34 CE3 TRP A 3 -4.818 -9.141 -7.033 1.00 0.00 C ATOM 35 CZ2 TRP A 3 -6.572 -11.265 -7.633 1.00 0.00 C ATOM 36 CZ3 TRP A 3 -6.070 -8.902 -7.497 1.00 0.00 C ATOM 37 CH2 TRP A 3 -6.948 -9.952 -7.798 1.00 0.00 C ATOM 0 H TRP A 3 -2.545 -11.760 -3.663 1.00 0.00 H new ATOM 0 HA TRP A 3 -1.189 -9.218 -4.269 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -2.016 -9.250 -6.530 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -1.108 -10.726 -6.272 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -2.595 -13.067 -6.139 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.988 -13.609 -6.987 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -4.153 -8.321 -6.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -7.244 -12.078 -7.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -6.397 -7.882 -7.637 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -7.938 -9.726 -8.166 1.00 0.00 H new ATOM 47 N ALA A 4 -3.473 -8.052 -4.471 1.00 0.00 N ATOM 48 CA ALA A 4 -4.669 -7.326 -4.123 1.00 0.00 C ATOM 49 C ALA A 4 -5.012 -6.232 -5.119 1.00 0.00 C ATOM 50 O ALA A 4 -4.171 -5.797 -5.906 1.00 0.00 O ATOM 51 CB ALA A 4 -4.502 -6.702 -2.745 1.00 0.00 C ATOM 0 H ALA A 4 -2.801 -7.532 -5.035 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.488 -8.045 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.406 -6.153 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.327 -7.487 -2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.653 -6.019 -2.756 1.00 0.00 H new ATOM 57 N THR A 5 -6.253 -5.795 -5.074 1.00 0.00 N ATOM 58 CA THR A 5 -6.711 -4.704 -5.908 1.00 0.00 C ATOM 59 C THR A 5 -7.029 -3.551 -5.014 1.00 0.00 C ATOM 60 O THR A 5 -7.395 -3.731 -3.853 1.00 0.00 O ATOM 61 CB THR A 5 -7.965 -5.024 -6.743 1.00 0.00 C ATOM 62 OG1 THR A 5 -7.842 -6.313 -7.352 1.00 0.00 O ATOM 63 CG2 THR A 5 -8.174 -3.956 -7.823 1.00 0.00 C ATOM 0 H THR A 5 -6.970 -6.184 -4.461 1.00 0.00 H new ATOM 0 HA THR A 5 -5.912 -4.491 -6.619 1.00 0.00 H new ATOM 0 HB THR A 5 -8.829 -5.028 -6.078 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.646 -6.504 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.064 -4.196 -8.405 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.301 -2.982 -7.351 1.00 0.00 H new ATOM 0 HG23 THR A 5 -7.306 -3.930 -8.482 1.00 0.00 H new ATOM 71 N ALA A 6 -6.892 -2.367 -5.543 1.00 0.00 N ATOM 72 CA ALA A 6 -7.136 -1.195 -4.767 1.00 0.00 C ATOM 73 C ALA A 6 -8.624 -0.925 -4.589 1.00 0.00 C ATOM 74 O ALA A 6 -9.481 -1.473 -5.281 1.00 0.00 O ATOM 75 CB ALA A 6 -6.400 -0.014 -5.365 1.00 0.00 C ATOM 0 H ALA A 6 -6.613 -2.194 -6.509 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.745 -1.361 -3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -6.592 0.876 -4.766 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -5.330 -0.220 -5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.748 0.153 -6.385 1.00 0.00 H new ATOM 81 N GLU A 7 -8.888 -0.091 -3.599 1.00 0.00 N ATOM 82 CA GLU A 7 -10.239 0.314 -3.260 1.00 0.00 C ATOM 83 C GLU A 7 -10.404 1.833 -3.166 1.00 0.00 C ATOM 84 O GLU A 7 -11.516 2.353 -3.248 1.00 0.00 O ATOM 85 CB GLU A 7 -10.659 -0.319 -1.933 1.00 0.00 C ATOM 86 CG GLU A 7 -10.838 -1.827 -2.006 1.00 0.00 C ATOM 87 CD GLU A 7 -12.073 -2.231 -2.784 1.00 0.00 C ATOM 88 OE1 GLU A 7 -13.160 -2.313 -2.174 1.00 0.00 O ATOM 89 OE2 GLU A 7 -11.954 -2.467 -4.005 1.00 0.00 O ATOM 0 H GLU A 7 -8.169 0.325 -3.007 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.879 -0.035 -4.071 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.909 -0.087 -1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.594 0.134 -1.604 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.958 -2.271 -2.472 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.902 -2.231 -0.996 1.00 0.00 H new ATOM 94 N TYR A 8 -9.276 2.541 -2.991 1.00 0.00 N ATOM 95 CA TYR A 8 -9.270 4.002 -2.922 1.00 0.00 C ATOM 96 C TYR A 8 -8.069 4.522 -3.708 1.00 0.00 C ATOM 97 O TYR A 8 -7.376 3.735 -4.347 1.00 0.00 O ATOM 98 CB TYR A 8 -9.190 4.422 -1.463 1.00 0.00 C ATOM 99 CG TYR A 8 -10.238 3.758 -0.619 1.00 0.00 C ATOM 100 CD1 TYR A 8 -10.109 2.440 -0.208 1.00 0.00 C ATOM 101 CD2 TYR A 8 -11.369 4.453 -0.253 1.00 0.00 C ATOM 102 CE1 TYR A 8 -11.090 1.836 0.554 1.00 0.00 C ATOM 103 CE2 TYR A 8 -12.356 3.863 0.504 1.00 0.00 C ATOM 104 CZ TYR A 8 -12.214 2.552 0.908 1.00 0.00 C ATOM 105 OH TYR A 8 -13.197 1.957 1.663 1.00 0.00 O ATOM 0 H TYR A 8 -8.353 2.117 -2.895 1.00 0.00 H new ATOM 0 HA TYR A 8 -10.180 4.418 -3.355 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -8.203 4.178 -1.071 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -9.302 5.504 -1.392 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -9.230 1.878 -0.487 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.484 5.480 -0.566 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -10.977 0.810 0.870 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -13.237 4.424 0.780 1.00 0.00 H new ATOM 0 HH TYR A 8 -13.919 2.600 1.825 1.00 0.00 H new ATOM 114 N ASP A 9 -7.818 5.834 -3.702 1.00 0.00 N ATOM 115 CA ASP A 9 -6.688 6.481 -4.383 1.00 0.00 C ATOM 116 C ASP A 9 -5.693 6.911 -3.318 1.00 0.00 C ATOM 117 O ASP A 9 -5.756 8.014 -2.781 1.00 0.00 O ATOM 118 CB ASP A 9 -7.192 7.689 -5.168 1.00 0.00 C ATOM 119 CG ASP A 9 -8.077 7.297 -6.335 1.00 0.00 C ATOM 120 OD1 ASP A 9 -8.981 6.459 -6.138 1.00 0.00 O ATOM 121 OD2 ASP A 9 -7.864 7.828 -7.445 1.00 0.00 O ATOM 0 H ASP A 9 -8.414 6.498 -3.208 1.00 0.00 H new ATOM 0 HA ASP A 9 -6.209 5.797 -5.084 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.748 8.346 -4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.340 8.259 -5.538 1.00 0.00 H new ATOM 125 N TYR A 10 -4.777 6.011 -3.042 1.00 0.00 N ATOM 126 CA TYR A 10 -3.804 6.155 -1.966 1.00 0.00 C ATOM 127 C TYR A 10 -2.596 6.975 -2.362 1.00 0.00 C ATOM 128 O TYR A 10 -1.914 6.683 -3.344 1.00 0.00 O ATOM 129 CB TYR A 10 -3.346 4.788 -1.412 1.00 0.00 C ATOM 130 CG TYR A 10 -4.182 3.589 -1.820 1.00 0.00 C ATOM 131 CD1 TYR A 10 -4.524 3.319 -3.136 1.00 0.00 C ATOM 132 CD2 TYR A 10 -4.685 2.761 -0.868 1.00 0.00 C ATOM 133 CE1 TYR A 10 -5.343 2.285 -3.475 1.00 0.00 C ATOM 134 CE2 TYR A 10 -5.485 1.709 -1.213 1.00 0.00 C ATOM 135 CZ TYR A 10 -5.814 1.479 -2.496 1.00 0.00 C ATOM 136 OH TYR A 10 -6.637 0.446 -2.787 1.00 0.00 O ATOM 0 H TYR A 10 -4.680 5.140 -3.564 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.329 6.697 -1.179 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.319 4.615 -1.732 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.336 4.845 -0.324 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.128 3.949 -3.918 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.450 2.936 0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.612 2.112 -4.507 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.859 1.051 -0.443 1.00 0.00 H new ATOM 0 HH TYR A 10 -6.950 0.033 -1.955 1.00 0.00 H new ATOM 145 N ASP A 11 -2.345 8.006 -1.576 1.00 0.00 N ATOM 146 CA ASP A 11 -1.184 8.842 -1.821 1.00 0.00 C ATOM 147 C ASP A 11 -0.171 8.704 -0.678 1.00 0.00 C ATOM 148 O ASP A 11 0.129 9.679 0.011 1.00 0.00 O ATOM 149 CB ASP A 11 -1.647 10.294 -1.933 1.00 0.00 C ATOM 150 CG ASP A 11 -0.493 11.260 -2.117 1.00 0.00 C ATOM 151 OD1 ASP A 11 0.669 10.805 -2.112 1.00 0.00 O ATOM 152 OD2 ASP A 11 -0.754 12.473 -2.268 1.00 0.00 O ATOM 0 H ASP A 11 -2.917 8.281 -0.777 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.698 8.530 -2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.333 10.389 -2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.203 10.565 -1.036 1.00 0.00 H new ATOM 156 N ALA A 12 0.350 7.476 -0.504 1.00 0.00 N ATOM 157 CA ALA A 12 1.353 7.137 0.514 1.00 0.00 C ATOM 158 C ALA A 12 1.466 8.157 1.655 1.00 0.00 C ATOM 159 O ALA A 12 2.271 9.087 1.596 1.00 0.00 O ATOM 160 CB ALA A 12 2.689 6.918 -0.177 1.00 0.00 C ATOM 0 H ALA A 12 0.079 6.679 -1.079 1.00 0.00 H new ATOM 0 HA ALA A 12 1.024 6.222 1.006 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.446 6.665 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.598 6.103 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.983 7.829 -0.698 1.00 0.00 H new ATOM 166 N ALA A 13 0.649 7.967 2.691 1.00 0.00 N ATOM 167 CA ALA A 13 0.617 8.856 3.853 1.00 0.00 C ATOM 168 C ALA A 13 1.945 8.943 4.650 1.00 0.00 C ATOM 169 O ALA A 13 2.211 9.980 5.258 1.00 0.00 O ATOM 170 CB ALA A 13 -0.508 8.442 4.776 1.00 0.00 C ATOM 0 H ALA A 13 -0.011 7.191 2.748 1.00 0.00 H new ATOM 0 HA ALA A 13 0.454 9.857 3.453 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.531 9.105 5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.457 8.506 4.244 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.347 7.417 5.109 1.00 0.00 H new ATOM 176 N GLU A 14 2.776 7.900 4.665 1.00 0.00 N ATOM 177 CA GLU A 14 4.018 7.938 5.481 1.00 0.00 C ATOM 178 C GLU A 14 5.370 7.990 4.744 1.00 0.00 C ATOM 179 O GLU A 14 6.410 7.970 5.402 1.00 0.00 O ATOM 180 CB GLU A 14 4.086 6.690 6.363 1.00 0.00 C ATOM 181 CG GLU A 14 3.482 6.898 7.736 1.00 0.00 C ATOM 182 CD GLU A 14 4.448 7.573 8.688 1.00 0.00 C ATOM 183 OE1 GLU A 14 5.672 7.480 8.455 1.00 0.00 O ATOM 184 OE2 GLU A 14 3.983 8.192 9.667 1.00 0.00 O ATOM 0 H GLU A 14 2.630 7.036 4.142 1.00 0.00 H new ATOM 0 HA GLU A 14 3.917 8.886 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.567 5.872 5.865 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.127 6.387 6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.580 7.503 7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.181 5.935 8.149 1.00 0.00 H new ATOM 189 N ASP A 15 5.362 8.033 3.424 1.00 0.00 N ATOM 190 CA ASP A 15 6.593 8.122 2.611 1.00 0.00 C ATOM 191 C ASP A 15 6.914 6.722 2.136 1.00 0.00 C ATOM 192 O ASP A 15 6.946 6.488 0.927 1.00 0.00 O ATOM 193 CB ASP A 15 7.770 8.790 3.334 1.00 0.00 C ATOM 194 CG ASP A 15 8.735 9.455 2.373 1.00 0.00 C ATOM 195 OD1 ASP A 15 9.231 8.763 1.459 1.00 0.00 O ATOM 196 OD2 ASP A 15 8.994 10.666 2.534 1.00 0.00 O ATOM 0 H ASP A 15 4.506 8.008 2.870 1.00 0.00 H new ATOM 0 HA ASP A 15 6.417 8.783 1.762 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.388 9.533 4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.303 8.043 3.922 1.00 0.00 H new ATOM 200 N ASN A 16 7.155 5.774 3.057 1.00 0.00 N ATOM 201 CA ASN A 16 7.409 4.443 2.529 1.00 0.00 C ATOM 202 C ASN A 16 6.110 3.662 2.556 1.00 0.00 C ATOM 203 O ASN A 16 5.991 2.604 3.176 1.00 0.00 O ATOM 204 CB ASN A 16 8.332 3.800 3.584 1.00 0.00 C ATOM 205 CG ASN A 16 9.722 3.550 3.034 1.00 0.00 C ATOM 206 OD1 ASN A 16 10.062 4.012 1.944 1.00 0.00 O ATOM 207 ND2 ASN A 16 10.531 2.815 3.783 1.00 0.00 N ATOM 0 H ASN A 16 7.178 5.890 4.070 1.00 0.00 H new ATOM 0 HA ASN A 16 7.820 4.459 1.519 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.397 4.451 4.456 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.899 2.858 3.921 1.00 0.00 H new ATOM 0 HD21 ASN A 16 11.478 2.612 3.463 1.00 0.00 H new ATOM 0 HD22 ASN A 16 10.207 2.453 4.680 1.00 0.00 H new ATOM 213 N GLU A 17 5.137 4.190 1.862 1.00 0.00 N ATOM 214 CA GLU A 17 3.934 3.523 1.499 1.00 0.00 C ATOM 215 C GLU A 17 3.999 3.427 -0.014 1.00 0.00 C ATOM 216 O GLU A 17 4.861 4.057 -0.629 1.00 0.00 O ATOM 217 CB GLU A 17 2.703 4.292 1.961 1.00 0.00 C ATOM 218 CG GLU A 17 1.400 3.665 1.485 1.00 0.00 C ATOM 219 CD GLU A 17 0.165 4.313 2.089 1.00 0.00 C ATOM 220 OE1 GLU A 17 0.322 5.188 2.967 1.00 0.00 O ATOM 221 OE2 GLU A 17 -0.957 3.945 1.683 1.00 0.00 O ATOM 0 H GLU A 17 5.174 5.150 1.520 1.00 0.00 H new ATOM 0 HA GLU A 17 3.848 2.544 1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.700 4.342 3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.762 5.317 1.595 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.345 3.738 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.403 2.604 1.734 1.00 0.00 H new ATOM 226 N LEU A 18 3.136 2.680 -0.631 1.00 0.00 N ATOM 227 CA LEU A 18 3.095 2.661 -2.078 1.00 0.00 C ATOM 228 C LEU A 18 2.053 3.690 -2.466 1.00 0.00 C ATOM 229 O LEU A 18 1.327 4.215 -1.630 1.00 0.00 O ATOM 230 CB LEU A 18 2.661 1.285 -2.558 1.00 0.00 C ATOM 231 CG LEU A 18 3.530 0.640 -3.616 1.00 0.00 C ATOM 232 CD1 LEU A 18 3.070 -0.783 -3.810 1.00 0.00 C ATOM 233 CD2 LEU A 18 3.454 1.410 -4.920 1.00 0.00 C ATOM 0 H LEU A 18 2.453 2.078 -0.170 1.00 0.00 H new ATOM 0 HA LEU A 18 4.068 2.880 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.620 0.619 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.647 1.363 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 18 4.571 0.651 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.686 -1.264 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.163 -1.327 -2.870 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.028 -0.788 -4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.087 0.927 -5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.423 1.425 -5.274 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.797 2.432 -4.760 1.00 0.00 H new ATOM 244 N THR A 19 1.986 3.981 -3.754 1.00 0.00 N ATOM 245 CA THR A 19 1.010 4.936 -4.225 1.00 0.00 C ATOM 246 C THR A 19 0.231 4.298 -5.333 1.00 0.00 C ATOM 247 O THR A 19 0.786 3.867 -6.343 1.00 0.00 O ATOM 248 CB THR A 19 1.650 6.253 -4.689 1.00 0.00 C ATOM 249 OG1 THR A 19 3.064 6.222 -4.461 1.00 0.00 O ATOM 250 CG2 THR A 19 1.034 7.423 -3.944 1.00 0.00 C ATOM 0 H THR A 19 2.584 3.577 -4.475 1.00 0.00 H new ATOM 0 HA THR A 19 0.350 5.201 -3.399 1.00 0.00 H new ATOM 0 HB THR A 19 1.466 6.374 -5.756 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.462 7.065 -4.762 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.495 8.352 -4.280 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.037 7.457 -4.142 1.00 0.00 H new ATOM 0 HG23 THR A 19 1.202 7.302 -2.874 1.00 0.00 H new ATOM 258 N PHE A 20 -1.061 4.241 -5.135 1.00 0.00 N ATOM 259 CA PHE A 20 -1.886 3.534 -6.076 1.00 0.00 C ATOM 260 C PHE A 20 -3.307 4.098 -6.137 1.00 0.00 C ATOM 261 O PHE A 20 -3.624 5.119 -5.526 1.00 0.00 O ATOM 262 CB PHE A 20 -1.861 2.029 -5.708 1.00 0.00 C ATOM 263 CG PHE A 20 -1.867 1.740 -4.224 1.00 0.00 C ATOM 264 CD1 PHE A 20 -0.884 2.192 -3.346 1.00 0.00 C ATOM 265 CD2 PHE A 20 -2.907 1.033 -3.708 1.00 0.00 C ATOM 266 CE1 PHE A 20 -0.972 1.940 -1.987 1.00 0.00 C ATOM 267 CE2 PHE A 20 -2.998 0.770 -2.363 1.00 0.00 C ATOM 268 CZ PHE A 20 -2.038 1.223 -1.496 1.00 0.00 C ATOM 0 H PHE A 20 -1.554 4.665 -4.349 1.00 0.00 H new ATOM 0 HA PHE A 20 -1.486 3.665 -7.082 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -2.725 1.544 -6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.973 1.576 -6.149 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -0.041 2.747 -3.731 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.679 0.670 -4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.208 2.304 -1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.834 0.201 -1.985 1.00 0.00 H new ATOM 0 HZ PHE A 20 -2.118 1.019 -0.438 1.00 0.00 H new ATOM 277 N VAL A 21 -4.117 3.456 -6.963 1.00 0.00 N ATOM 278 CA VAL A 21 -5.515 3.827 -7.144 1.00 0.00 C ATOM 279 C VAL A 21 -6.392 2.580 -7.218 1.00 0.00 C ATOM 280 O VAL A 21 -5.964 1.570 -7.722 1.00 0.00 O ATOM 281 CB VAL A 21 -5.659 4.693 -8.403 1.00 0.00 C ATOM 282 CG1 VAL A 21 -5.077 6.070 -8.137 1.00 0.00 C ATOM 283 CG2 VAL A 21 -4.969 4.043 -9.587 1.00 0.00 C ATOM 0 H VAL A 21 -3.824 2.660 -7.530 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.850 4.411 -6.287 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.717 4.791 -8.647 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.178 6.687 -9.030 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.612 6.538 -7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.022 5.976 -7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.085 4.675 -10.467 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.909 3.918 -9.367 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.417 3.068 -9.779 1.00 0.00 H new ATOM 293 N GLU A 22 -7.612 2.668 -6.688 1.00 0.00 N ATOM 294 CA GLU A 22 -8.604 1.569 -6.628 1.00 0.00 C ATOM 295 C GLU A 22 -8.447 0.435 -7.667 1.00 0.00 C ATOM 296 O GLU A 22 -8.666 -0.743 -7.394 1.00 0.00 O ATOM 297 CB GLU A 22 -9.995 2.226 -6.753 1.00 0.00 C ATOM 298 CG GLU A 22 -11.010 1.497 -7.625 1.00 0.00 C ATOM 299 CD GLU A 22 -11.482 0.191 -7.014 1.00 0.00 C ATOM 300 OE1 GLU A 22 -12.092 0.233 -5.925 1.00 0.00 O ATOM 301 OE2 GLU A 22 -11.242 -0.871 -7.624 1.00 0.00 O ATOM 0 H GLU A 22 -7.959 3.532 -6.271 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.449 1.051 -5.681 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -10.415 2.330 -5.753 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.864 3.233 -7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.870 2.146 -7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.566 1.297 -8.600 1.00 0.00 H new ATOM 306 N ASN A 23 -8.068 0.842 -8.821 1.00 0.00 N ATOM 307 CA ASN A 23 -7.911 -0.107 -9.932 1.00 0.00 C ATOM 308 C ASN A 23 -6.440 -0.468 -10.189 1.00 0.00 C ATOM 309 O ASN A 23 -6.072 -0.887 -11.287 1.00 0.00 O ATOM 310 CB ASN A 23 -8.575 0.445 -11.196 1.00 0.00 C ATOM 311 CG ASN A 23 -8.566 1.963 -11.265 1.00 0.00 C ATOM 312 OD1 ASN A 23 -7.530 2.599 -11.069 1.00 0.00 O ATOM 313 ND2 ASN A 23 -9.725 2.549 -11.543 1.00 0.00 N ATOM 0 H ASN A 23 -7.855 1.813 -9.051 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.411 -1.033 -9.648 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.063 0.045 -12.071 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -9.605 0.092 -11.241 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -9.781 3.566 -11.601 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.559 1.982 -11.698 1.00 0.00 H new ATOM 319 N ASP A 24 -5.616 -0.299 -9.161 1.00 0.00 N ATOM 320 CA ASP A 24 -4.194 -0.624 -9.240 1.00 0.00 C ATOM 321 C ASP A 24 -3.942 -2.021 -8.705 1.00 0.00 C ATOM 322 O ASP A 24 -4.341 -2.366 -7.592 1.00 0.00 O ATOM 323 CB ASP A 24 -3.350 0.428 -8.479 1.00 0.00 C ATOM 324 CG ASP A 24 -2.070 -0.099 -7.834 1.00 0.00 C ATOM 325 OD1 ASP A 24 -2.145 -1.064 -7.042 1.00 0.00 O ATOM 326 OD2 ASP A 24 -0.997 0.476 -8.099 1.00 0.00 O ATOM 0 H ASP A 24 -5.911 0.065 -8.255 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.888 -0.602 -10.286 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.085 1.226 -9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.971 0.874 -7.702 1.00 0.00 H new ATOM 330 N LYS A 25 -3.275 -2.813 -9.521 1.00 0.00 N ATOM 331 CA LYS A 25 -2.926 -4.154 -9.149 1.00 0.00 C ATOM 332 C LYS A 25 -1.764 -4.136 -8.182 1.00 0.00 C ATOM 333 O LYS A 25 -0.701 -3.592 -8.481 1.00 0.00 O ATOM 334 CB LYS A 25 -2.546 -4.924 -10.406 1.00 0.00 C ATOM 335 CG LYS A 25 -3.243 -6.252 -10.539 1.00 0.00 C ATOM 336 CD LYS A 25 -2.939 -7.178 -9.380 1.00 0.00 C ATOM 337 CE LYS A 25 -3.381 -8.586 -9.716 1.00 0.00 C ATOM 338 NZ LYS A 25 -2.503 -9.628 -9.129 1.00 0.00 N ATOM 0 H LYS A 25 -2.965 -2.540 -10.453 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.774 -4.636 -8.662 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.778 -4.314 -11.279 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.468 -5.088 -10.409 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.319 -6.091 -10.600 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.939 -6.728 -11.471 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.871 -7.165 -9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.451 -6.831 -8.482 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.400 -8.735 -9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.402 -8.705 -10.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.002 -10.129 -9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.811 -9.181 -8.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.080 -10.305 -8.591 1.00 0.00 H new ATOM 348 N ILE A 26 -1.966 -4.729 -7.022 1.00 0.00 N ATOM 349 CA ILE A 26 -0.922 -4.792 -6.027 1.00 0.00 C ATOM 350 C ILE A 26 -0.529 -6.252 -5.911 1.00 0.00 C ATOM 351 O ILE A 26 -1.331 -7.102 -5.526 1.00 0.00 O ATOM 352 CB ILE A 26 -1.382 -4.288 -4.642 1.00 0.00 C ATOM 353 CG1 ILE A 26 -2.101 -2.939 -4.766 1.00 0.00 C ATOM 354 CG2 ILE A 26 -0.194 -4.167 -3.704 1.00 0.00 C ATOM 355 CD1 ILE A 26 -2.883 -2.548 -3.526 1.00 0.00 C ATOM 0 H ILE A 26 -2.843 -5.172 -6.749 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.097 -4.150 -6.335 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.083 -5.013 -4.229 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.365 -2.164 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.781 -2.977 -5.617 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.533 -3.811 -2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.279 -5.142 -3.588 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.526 -3.461 -4.118 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.364 -1.583 -3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.643 -3.303 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.205 -2.477 -2.676 1.00 0.00 H new ATOM 366 N ILE A 27 0.702 -6.525 -6.248 1.00 0.00 N ATOM 367 CA ILE A 27 1.167 -7.892 -6.243 1.00 0.00 C ATOM 368 C ILE A 27 2.371 -8.053 -5.344 1.00 0.00 C ATOM 369 O ILE A 27 2.954 -7.077 -4.874 1.00 0.00 O ATOM 370 CB ILE A 27 1.415 -8.384 -7.687 1.00 0.00 C ATOM 371 CG1 ILE A 27 2.502 -7.575 -8.386 1.00 0.00 C ATOM 372 CG2 ILE A 27 0.119 -8.320 -8.489 1.00 0.00 C ATOM 373 CD1 ILE A 27 3.176 -8.334 -9.503 1.00 0.00 C ATOM 0 H ILE A 27 1.396 -5.832 -6.527 1.00 0.00 H new ATOM 0 HA ILE A 27 0.390 -8.531 -5.823 1.00 0.00 H new ATOM 0 HB ILE A 27 1.759 -9.417 -7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.065 -6.661 -8.787 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.252 -7.275 -7.654 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.303 -8.668 -9.505 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.632 -8.954 -8.018 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.241 -7.292 -8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.939 -7.705 -9.961 1.00 0.00 H new ATOM 0 HD12 ILE A 27 3.640 -9.235 -9.102 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.435 -8.611 -10.253 1.00 0.00 H new ATOM 384 N ASN A 28 2.732 -9.297 -5.112 1.00 0.00 N ATOM 385 CA ASN A 28 3.820 -9.622 -4.224 1.00 0.00 C ATOM 386 C ASN A 28 3.534 -9.055 -2.841 1.00 0.00 C ATOM 387 O ASN A 28 4.399 -8.462 -2.196 1.00 0.00 O ATOM 388 CB ASN A 28 5.164 -9.114 -4.744 1.00 0.00 C ATOM 389 CG ASN A 28 5.549 -9.730 -6.071 1.00 0.00 C ATOM 390 OD1 ASN A 28 4.767 -9.439 -7.100 1.00 0.00 O flip ATOM 391 ND2 ASN A 28 6.536 -10.459 -6.171 1.00 0.00 N flip ATOM 0 H ASN A 28 2.279 -10.107 -5.534 1.00 0.00 H new ATOM 0 HA ASN A 28 3.894 -10.708 -4.168 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.121 -8.030 -4.850 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.939 -9.332 -4.009 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.110 -10.656 -5.351 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.780 -10.866 -7.074 1.00 0.00 H new ATOM 397 N ILE A 29 2.291 -9.256 -2.405 1.00 0.00 N ATOM 398 CA ILE A 29 1.820 -8.720 -1.136 1.00 0.00 C ATOM 399 C ILE A 29 2.407 -9.456 0.054 1.00 0.00 C ATOM 400 O ILE A 29 1.677 -10.134 0.778 1.00 0.00 O ATOM 401 CB ILE A 29 0.286 -8.727 -1.068 1.00 0.00 C ATOM 402 CG1 ILE A 29 -0.259 -7.781 -2.129 1.00 0.00 C ATOM 403 CG2 ILE A 29 -0.202 -8.323 0.324 1.00 0.00 C ATOM 404 CD1 ILE A 29 -1.748 -7.617 -2.059 1.00 0.00 C ATOM 0 H ILE A 29 1.590 -9.790 -2.919 1.00 0.00 H new ATOM 0 HA ILE A 29 2.167 -7.688 -1.084 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.079 -9.736 -1.260 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.214 -6.806 -2.016 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.014 -8.155 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.292 -8.336 0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.184 -9.025 1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.154 -7.319 0.557 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.076 -6.931 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.228 -8.585 -2.201 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.024 -7.215 -1.084 1.00 0.00 H new ATOM 415 N GLU A 30 3.700 -9.357 0.272 1.00 0.00 N ATOM 416 CA GLU A 30 4.257 -10.039 1.436 1.00 0.00 C ATOM 417 C GLU A 30 3.680 -9.516 2.736 1.00 0.00 C ATOM 418 O GLU A 30 3.076 -8.454 2.787 1.00 0.00 O ATOM 419 CB GLU A 30 5.788 -10.004 1.436 1.00 0.00 C ATOM 420 CG GLU A 30 6.402 -10.196 0.058 1.00 0.00 C ATOM 421 CD GLU A 30 7.709 -10.963 0.103 1.00 0.00 C ATOM 422 OE1 GLU A 30 7.704 -12.118 0.580 1.00 0.00 O ATOM 423 OE2 GLU A 30 8.739 -10.409 -0.337 1.00 0.00 O ATOM 0 H GLU A 30 4.364 -8.840 -0.305 1.00 0.00 H new ATOM 0 HA GLU A 30 3.960 -11.085 1.360 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.121 -9.049 1.843 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.161 -10.782 2.102 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.695 -10.727 -0.580 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.573 -9.221 -0.398 1.00 0.00 H new ATOM 428 N PHE A 31 3.920 -10.284 3.793 1.00 0.00 N ATOM 429 CA PHE A 31 3.411 -9.897 5.103 1.00 0.00 C ATOM 430 C PHE A 31 4.507 -9.380 6.015 1.00 0.00 C ATOM 431 O PHE A 31 4.924 -10.045 6.964 1.00 0.00 O ATOM 432 CB PHE A 31 2.670 -11.069 5.744 1.00 0.00 C ATOM 433 CG PHE A 31 1.481 -11.519 4.939 1.00 0.00 C ATOM 434 CD1 PHE A 31 0.608 -10.591 4.385 1.00 0.00 C ATOM 435 CD2 PHE A 31 1.241 -12.867 4.727 1.00 0.00 C ATOM 436 CE1 PHE A 31 -0.479 -11.003 3.637 1.00 0.00 C ATOM 437 CE2 PHE A 31 0.155 -13.283 3.978 1.00 0.00 C ATOM 438 CZ PHE A 31 -0.705 -12.350 3.433 1.00 0.00 C ATOM 0 H PHE A 31 4.449 -11.156 3.772 1.00 0.00 H new ATOM 0 HA PHE A 31 2.712 -9.073 4.957 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.358 -11.905 5.865 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.339 -10.781 6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.781 -9.536 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.910 -13.601 5.151 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.151 -10.272 3.212 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.020 -14.337 3.820 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.553 -12.673 2.848 1.00 0.00 H new ATOM 447 N VAL A 32 4.961 -8.181 5.703 1.00 0.00 N ATOM 448 CA VAL A 32 5.986 -7.505 6.475 1.00 0.00 C ATOM 449 C VAL A 32 5.408 -7.050 7.815 1.00 0.00 C ATOM 450 O VAL A 32 6.102 -7.082 8.831 1.00 0.00 O ATOM 451 CB VAL A 32 6.497 -6.280 5.684 1.00 0.00 C ATOM 452 CG1 VAL A 32 7.189 -6.731 4.410 1.00 0.00 C ATOM 453 CG2 VAL A 32 5.344 -5.335 5.366 1.00 0.00 C ATOM 0 H VAL A 32 4.627 -7.645 4.902 1.00 0.00 H new ATOM 0 HA VAL A 32 6.814 -8.190 6.659 1.00 0.00 H new ATOM 0 HB VAL A 32 7.220 -5.742 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.545 -5.859 3.861 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.035 -7.371 4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.485 -7.287 3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.720 -4.477 4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.599 -5.859 4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.887 -4.993 6.295 1.00 0.00 H new ATOM 463 N ASP A 33 4.151 -6.628 7.827 1.00 0.00 N ATOM 464 CA ASP A 33 3.489 -6.231 9.066 1.00 0.00 C ATOM 465 C ASP A 33 2.075 -6.808 9.098 1.00 0.00 C ATOM 466 O ASP A 33 1.559 -7.251 8.078 1.00 0.00 O ATOM 467 CB ASP A 33 3.467 -4.708 9.209 1.00 0.00 C ATOM 468 CG ASP A 33 2.523 -4.242 10.299 1.00 0.00 C ATOM 469 OD1 ASP A 33 2.606 -4.777 11.423 1.00 0.00 O ATOM 470 OD2 ASP A 33 1.699 -3.344 10.025 1.00 0.00 O ATOM 0 H ASP A 33 3.568 -6.551 6.994 1.00 0.00 H new ATOM 0 HA ASP A 33 4.049 -6.629 9.912 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.474 -4.352 9.428 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.170 -4.261 8.260 1.00 0.00 H new ATOM 474 N ASP A 34 1.453 -6.811 10.273 1.00 0.00 N ATOM 475 CA ASP A 34 0.086 -7.306 10.391 1.00 0.00 C ATOM 476 C ASP A 34 -0.839 -6.375 9.618 1.00 0.00 C ATOM 477 O ASP A 34 -1.646 -6.797 8.789 1.00 0.00 O ATOM 478 CB ASP A 34 -0.338 -7.384 11.859 1.00 0.00 C ATOM 479 CG ASP A 34 -1.658 -8.109 12.042 1.00 0.00 C ATOM 480 OD1 ASP A 34 -2.448 -8.156 11.076 1.00 0.00 O ATOM 481 OD2 ASP A 34 -1.901 -8.629 13.151 1.00 0.00 O ATOM 0 H ASP A 34 1.866 -6.481 11.145 1.00 0.00 H new ATOM 0 HA ASP A 34 0.027 -8.312 9.976 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.436 -7.895 12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.421 -6.376 12.264 1.00 0.00 H new ATOM 485 N ASP A 35 -0.687 -5.091 9.923 1.00 0.00 N ATOM 486 CA ASP A 35 -1.537 -4.041 9.376 1.00 0.00 C ATOM 487 C ASP A 35 -1.086 -3.468 8.041 1.00 0.00 C ATOM 488 O ASP A 35 -1.921 -3.161 7.190 1.00 0.00 O ATOM 489 CB ASP A 35 -1.630 -2.890 10.381 1.00 0.00 C ATOM 490 CG ASP A 35 -1.779 -3.378 11.809 1.00 0.00 C ATOM 491 OD1 ASP A 35 -0.864 -4.073 12.298 1.00 0.00 O ATOM 492 OD2 ASP A 35 -2.811 -3.064 12.439 1.00 0.00 O ATOM 0 H ASP A 35 0.033 -4.748 10.559 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.499 -4.520 9.195 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.736 -2.271 10.303 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.480 -2.257 10.126 1.00 0.00 H new ATOM 496 N TRP A 36 0.212 -3.317 7.842 1.00 0.00 N ATOM 497 CA TRP A 36 0.689 -2.823 6.552 1.00 0.00 C ATOM 498 C TRP A 36 1.539 -3.865 5.838 1.00 0.00 C ATOM 499 O TRP A 36 2.652 -4.146 6.266 1.00 0.00 O ATOM 500 CB TRP A 36 1.490 -1.537 6.743 1.00 0.00 C ATOM 501 CG TRP A 36 0.629 -0.349 7.020 1.00 0.00 C ATOM 502 CD1 TRP A 36 -0.236 -0.209 8.058 1.00 0.00 C ATOM 503 CD2 TRP A 36 0.539 0.859 6.253 1.00 0.00 C ATOM 504 NE1 TRP A 36 -0.852 1.012 7.999 1.00 0.00 N ATOM 505 CE2 TRP A 36 -0.399 1.686 6.899 1.00 0.00 C ATOM 506 CE3 TRP A 36 1.157 1.327 5.088 1.00 0.00 C ATOM 507 CZ2 TRP A 36 -0.735 2.949 6.424 1.00 0.00 C ATOM 508 CZ3 TRP A 36 0.822 2.586 4.617 1.00 0.00 C ATOM 509 CH2 TRP A 36 -0.117 3.382 5.284 1.00 0.00 C ATOM 0 H TRP A 36 0.938 -3.520 8.529 1.00 0.00 H new ATOM 0 HA TRP A 36 -0.183 -2.615 5.931 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.191 -1.671 7.567 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.083 -1.348 5.848 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.412 -0.954 8.820 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.538 1.362 8.668 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.881 0.719 4.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.458 3.566 6.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.293 2.960 3.720 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.358 4.358 4.890 1.00 0.00 H new ATOM 519 N TRP A 37 1.061 -4.431 4.727 1.00 0.00 N ATOM 520 CA TRP A 37 1.797 -5.426 3.962 1.00 0.00 C ATOM 521 C TRP A 37 2.590 -4.723 2.894 1.00 0.00 C ATOM 522 O TRP A 37 2.394 -3.532 2.649 1.00 0.00 O ATOM 523 CB TRP A 37 0.817 -6.428 3.336 1.00 0.00 C ATOM 524 CG TRP A 37 -0.238 -6.954 4.253 1.00 0.00 C ATOM 525 CD1 TRP A 37 -0.081 -7.376 5.535 1.00 0.00 C ATOM 526 CD2 TRP A 37 -1.620 -7.141 3.932 1.00 0.00 C ATOM 527 NE1 TRP A 37 -1.282 -7.812 6.039 1.00 0.00 N ATOM 528 CE2 TRP A 37 -2.243 -7.676 5.072 1.00 0.00 C ATOM 529 CE3 TRP A 37 -2.390 -6.905 2.788 1.00 0.00 C ATOM 530 CZ2 TRP A 37 -3.600 -7.981 5.103 1.00 0.00 C ATOM 531 CZ3 TRP A 37 -3.737 -7.207 2.820 1.00 0.00 C ATOM 532 CH2 TRP A 37 -4.331 -7.740 3.971 1.00 0.00 C ATOM 0 H TRP A 37 0.146 -4.207 4.335 1.00 0.00 H new ATOM 0 HA TRP A 37 2.477 -5.975 4.614 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.330 -5.950 2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.387 -7.271 2.945 1.00 0.00 H new ATOM 0 HD1 TRP A 37 0.852 -7.370 6.079 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.434 -8.177 6.979 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.939 -6.494 1.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.060 -8.393 5.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.342 -7.029 1.943 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.387 -7.965 3.965 1.00 0.00 H new ATOM 542 N LEU A 38 3.485 -5.442 2.253 1.00 0.00 N ATOM 543 CA LEU A 38 4.305 -4.855 1.229 1.00 0.00 C ATOM 544 C LEU A 38 3.854 -5.294 -0.136 1.00 0.00 C ATOM 545 O LEU A 38 3.282 -6.352 -0.292 1.00 0.00 O ATOM 546 CB LEU A 38 5.773 -5.212 1.488 1.00 0.00 C ATOM 547 CG LEU A 38 6.335 -6.381 0.669 1.00 0.00 C ATOM 548 CD1 LEU A 38 6.610 -5.915 -0.752 1.00 0.00 C ATOM 549 CD2 LEU A 38 7.604 -6.928 1.307 1.00 0.00 C ATOM 0 H LEU A 38 3.660 -6.432 2.426 1.00 0.00 H new ATOM 0 HA LEU A 38 4.204 -3.770 1.260 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.381 -4.330 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.888 -5.447 2.546 1.00 0.00 H new ATOM 0 HG LEU A 38 5.600 -7.185 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.010 -6.744 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.683 -5.565 -1.206 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.335 -5.101 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 38 7.984 -7.756 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.356 -6.140 1.355 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.382 -7.280 2.314 1.00 0.00 H new ATOM 560 N GLY A 39 4.153 -4.464 -1.111 1.00 0.00 N ATOM 561 CA GLY A 39 3.702 -4.816 -2.437 1.00 0.00 C ATOM 562 C GLY A 39 4.704 -4.731 -3.562 1.00 0.00 C ATOM 563 O GLY A 39 5.912 -4.578 -3.380 1.00 0.00 O ATOM 0 H GLY A 39 4.675 -3.592 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.322 -5.837 -2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.860 -4.171 -2.688 1.00 0.00 H new ATOM 567 N GLU A 40 4.111 -4.843 -4.739 1.00 0.00 N ATOM 568 CA GLU A 40 4.762 -4.753 -6.027 1.00 0.00 C ATOM 569 C GLU A 40 3.620 -4.522 -7.012 1.00 0.00 C ATOM 570 O GLU A 40 2.711 -5.329 -7.055 1.00 0.00 O ATOM 571 CB GLU A 40 5.545 -6.022 -6.354 1.00 0.00 C ATOM 572 CG GLU A 40 6.702 -5.773 -7.299 1.00 0.00 C ATOM 573 CD GLU A 40 7.928 -6.595 -6.954 1.00 0.00 C ATOM 574 OE1 GLU A 40 8.167 -6.828 -5.751 1.00 0.00 O ATOM 575 OE2 GLU A 40 8.649 -7.007 -7.888 1.00 0.00 O ATOM 0 H GLU A 40 3.108 -5.008 -4.821 1.00 0.00 H new ATOM 0 HA GLU A 40 5.501 -3.953 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.925 -6.457 -5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.871 -6.755 -6.798 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.390 -6.004 -8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.962 -4.715 -7.278 1.00 0.00 H new ATOM 580 N LEU A 41 3.609 -3.446 -7.767 1.00 0.00 N ATOM 581 CA LEU A 41 2.480 -3.243 -8.672 1.00 0.00 C ATOM 582 C LEU A 41 2.648 -4.012 -9.969 1.00 0.00 C ATOM 583 O LEU A 41 3.636 -3.873 -10.659 1.00 0.00 O ATOM 584 CB LEU A 41 2.203 -1.758 -8.931 1.00 0.00 C ATOM 585 CG LEU A 41 2.087 -0.888 -7.677 1.00 0.00 C ATOM 586 CD1 LEU A 41 2.113 0.587 -8.049 1.00 0.00 C ATOM 587 CD2 LEU A 41 0.816 -1.223 -6.914 1.00 0.00 C ATOM 0 H LEU A 41 4.329 -2.723 -7.782 1.00 0.00 H new ATOM 0 HA LEU A 41 1.602 -3.647 -8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.001 -1.360 -9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.278 -1.671 -9.501 1.00 0.00 H new ATOM 0 HG LEU A 41 2.941 -1.096 -7.032 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.030 1.192 -7.146 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.050 0.818 -8.555 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.278 0.810 -8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.749 -0.595 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.049 -1.043 -7.552 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.836 -2.272 -6.617 1.00 0.00 H new ATOM 598 N GLU A 42 1.696 -4.881 -10.266 1.00 0.00 N ATOM 599 CA GLU A 42 1.758 -5.669 -11.485 1.00 0.00 C ATOM 600 C GLU A 42 1.849 -4.753 -12.712 1.00 0.00 C ATOM 601 O GLU A 42 2.583 -5.037 -13.658 1.00 0.00 O ATOM 602 CB GLU A 42 0.534 -6.615 -11.552 1.00 0.00 C ATOM 603 CG GLU A 42 -0.296 -6.542 -12.826 1.00 0.00 C ATOM 604 CD GLU A 42 0.388 -7.198 -14.010 1.00 0.00 C ATOM 605 OE1 GLU A 42 1.571 -7.576 -13.876 1.00 0.00 O ATOM 606 OE2 GLU A 42 -0.258 -7.331 -15.069 1.00 0.00 O ATOM 0 H GLU A 42 0.877 -5.058 -9.684 1.00 0.00 H new ATOM 0 HA GLU A 42 2.658 -6.284 -11.480 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.884 -7.640 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.116 -6.396 -10.705 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.259 -7.024 -12.655 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.500 -5.498 -13.062 1.00 0.00 H new ATOM 611 N LYS A 43 1.094 -3.654 -12.682 1.00 0.00 N ATOM 612 CA LYS A 43 1.064 -2.742 -13.828 1.00 0.00 C ATOM 613 C LYS A 43 2.396 -2.008 -14.069 1.00 0.00 C ATOM 614 O LYS A 43 2.808 -1.863 -15.221 1.00 0.00 O ATOM 615 CB LYS A 43 -0.111 -1.764 -13.736 1.00 0.00 C ATOM 616 CG LYS A 43 0.169 -0.518 -12.919 1.00 0.00 C ATOM 617 CD LYS A 43 -1.073 -0.060 -12.171 1.00 0.00 C ATOM 618 CE LYS A 43 -0.756 0.235 -10.722 1.00 0.00 C ATOM 619 NZ LYS A 43 0.551 0.932 -10.576 1.00 0.00 N ATOM 0 H LYS A 43 0.507 -3.377 -11.895 1.00 0.00 H new ATOM 0 HA LYS A 43 0.913 -3.372 -14.705 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.398 -1.465 -14.744 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.966 -2.283 -13.302 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.971 -0.718 -12.209 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.516 0.280 -13.575 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.480 0.832 -12.647 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.842 -0.831 -12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.547 0.851 -10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.737 -0.697 -10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.524 1.548 -9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.309 0.229 -10.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.734 1.507 -11.423 1.00 0.00 H new ATOM 629 N ASP A 44 3.077 -1.543 -13.020 1.00 0.00 N ATOM 630 CA ASP A 44 4.335 -0.795 -13.211 1.00 0.00 C ATOM 631 C ASP A 44 5.507 -1.379 -12.416 1.00 0.00 C ATOM 632 O ASP A 44 6.644 -0.926 -12.540 1.00 0.00 O ATOM 633 CB ASP A 44 4.136 0.669 -12.818 1.00 0.00 C ATOM 634 CG ASP A 44 5.117 1.593 -13.514 1.00 0.00 C ATOM 635 OD1 ASP A 44 5.158 1.582 -14.762 1.00 0.00 O ATOM 636 OD2 ASP A 44 5.842 2.327 -12.810 1.00 0.00 O ATOM 0 H ASP A 44 2.793 -1.664 -12.048 1.00 0.00 H new ATOM 0 HA ASP A 44 4.589 -0.876 -14.268 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.118 0.973 -13.063 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.248 0.771 -11.739 1.00 0.00 H new ATOM 640 N GLY A 45 5.218 -2.381 -11.607 1.00 0.00 N ATOM 641 CA GLY A 45 6.254 -3.001 -10.796 1.00 0.00 C ATOM 642 C GLY A 45 6.729 -2.129 -9.649 1.00 0.00 C ATOM 643 O GLY A 45 7.909 -2.164 -9.299 1.00 0.00 O ATOM 0 H GLY A 45 4.287 -2.781 -11.493 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.876 -3.941 -10.394 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.105 -3.245 -11.432 1.00 0.00 H new ATOM 647 N SER A 46 5.834 -1.348 -9.053 1.00 0.00 N ATOM 648 CA SER A 46 6.231 -0.483 -7.948 1.00 0.00 C ATOM 649 C SER A 46 6.044 -1.215 -6.631 1.00 0.00 C ATOM 650 O SER A 46 5.032 -1.877 -6.426 1.00 0.00 O ATOM 651 CB SER A 46 5.395 0.792 -7.954 1.00 0.00 C ATOM 652 OG SER A 46 5.157 1.241 -9.278 1.00 0.00 O ATOM 0 H SER A 46 4.848 -1.296 -9.310 1.00 0.00 H new ATOM 0 HA SER A 46 7.281 -0.217 -8.066 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.445 0.610 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.909 1.570 -7.390 1.00 0.00 H new ATOM 0 HG SER A 46 4.759 2.136 -9.253 1.00 0.00 H new ATOM 657 N LYS A 47 6.994 -1.046 -5.713 1.00 0.00 N ATOM 658 CA LYS A 47 6.910 -1.715 -4.421 1.00 0.00 C ATOM 659 C LYS A 47 6.846 -0.715 -3.277 1.00 0.00 C ATOM 660 O LYS A 47 7.434 0.365 -3.339 1.00 0.00 O ATOM 661 CB LYS A 47 8.095 -2.654 -4.187 1.00 0.00 C ATOM 662 CG LYS A 47 8.517 -3.423 -5.429 1.00 0.00 C ATOM 663 CD LYS A 47 9.934 -3.067 -5.850 1.00 0.00 C ATOM 664 CE LYS A 47 10.301 -3.717 -7.175 1.00 0.00 C ATOM 665 NZ LYS A 47 11.012 -2.772 -8.080 1.00 0.00 N ATOM 0 H LYS A 47 7.819 -0.460 -5.839 1.00 0.00 H new ATOM 0 HA LYS A 47 5.991 -2.300 -4.443 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.943 -2.072 -3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.836 -3.364 -3.401 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.452 -4.494 -5.235 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.828 -3.205 -6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.028 -1.984 -5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.635 -3.388 -5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.932 -4.586 -6.990 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.397 -4.078 -7.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.244 -3.254 -8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.401 -1.954 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.888 -2.447 -7.624 1.00 0.00 H new ATOM 675 N GLY A 48 6.123 -1.094 -2.235 1.00 0.00 N ATOM 676 CA GLY A 48 5.979 -0.260 -1.061 1.00 0.00 C ATOM 677 C GLY A 48 4.872 -0.762 -0.164 1.00 0.00 C ATOM 678 O GLY A 48 3.979 -1.476 -0.620 1.00 0.00 O ATOM 0 H GLY A 48 5.624 -1.982 -2.183 1.00 0.00 H new ATOM 0 HA2 GLY A 48 6.918 -0.242 -0.508 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.768 0.765 -1.364 1.00 0.00 H new ATOM 682 N LEU A 49 4.914 -0.399 1.108 1.00 0.00 N ATOM 683 CA LEU A 49 3.898 -0.869 2.033 1.00 0.00 C ATOM 684 C LEU A 49 2.578 -0.166 1.777 1.00 0.00 C ATOM 685 O LEU A 49 2.487 0.750 0.961 1.00 0.00 O ATOM 686 CB LEU A 49 4.299 -0.669 3.494 1.00 0.00 C ATOM 687 CG LEU A 49 5.780 -0.826 3.815 1.00 0.00 C ATOM 688 CD1 LEU A 49 6.232 0.299 4.735 1.00 0.00 C ATOM 689 CD2 LEU A 49 6.030 -2.180 4.454 1.00 0.00 C ATOM 0 H LEU A 49 5.625 0.207 1.517 1.00 0.00 H new ATOM 0 HA LEU A 49 3.791 -1.939 1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.986 0.329 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.740 -1.380 4.103 1.00 0.00 H new ATOM 0 HG LEU A 49 6.358 -0.770 2.893 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.292 0.181 4.961 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.070 1.258 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.658 0.265 5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.091 -2.285 4.681 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.453 -2.260 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.726 -2.969 3.766 1.00 0.00 H new ATOM 700 N PHE A 50 1.561 -0.614 2.488 1.00 0.00 N ATOM 701 CA PHE A 50 0.221 -0.063 2.333 1.00 0.00 C ATOM 702 C PHE A 50 -0.689 -0.484 3.471 1.00 0.00 C ATOM 703 O PHE A 50 -0.439 -1.501 4.113 1.00 0.00 O ATOM 704 CB PHE A 50 -0.345 -0.542 0.994 1.00 0.00 C ATOM 705 CG PHE A 50 -0.438 -2.044 0.859 1.00 0.00 C ATOM 706 CD1 PHE A 50 0.630 -2.782 0.363 1.00 0.00 C ATOM 707 CD2 PHE A 50 -1.599 -2.715 1.215 1.00 0.00 C ATOM 708 CE1 PHE A 50 0.538 -4.160 0.226 1.00 0.00 C ATOM 709 CE2 PHE A 50 -1.692 -4.091 1.081 1.00 0.00 C ATOM 710 CZ PHE A 50 -0.624 -4.809 0.586 1.00 0.00 C ATOM 0 H PHE A 50 1.634 -1.359 3.181 1.00 0.00 H new ATOM 0 HA PHE A 50 0.277 1.025 2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.339 -0.115 0.859 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.280 -0.155 0.189 1.00 0.00 H new ATOM 0 HD1 PHE A 50 1.542 -2.277 0.081 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.440 -2.158 1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.374 -4.723 -0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.601 -4.601 1.364 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.698 -5.881 0.480 1.00 0.00 H new ATOM 719 N PRO A 51 -1.771 0.276 3.750 1.00 0.00 N ATOM 720 CA PRO A 51 -2.662 -0.102 4.826 1.00 0.00 C ATOM 721 C PRO A 51 -3.697 -1.073 4.287 1.00 0.00 C ATOM 722 O PRO A 51 -4.639 -0.727 3.594 1.00 0.00 O ATOM 723 CB PRO A 51 -3.256 1.245 5.234 1.00 0.00 C ATOM 724 CG PRO A 51 -3.083 2.162 4.051 1.00 0.00 C ATOM 725 CD PRO A 51 -2.208 1.468 3.041 1.00 0.00 C ATOM 0 HA PRO A 51 -2.200 -0.613 5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.309 1.142 5.495 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -2.748 1.644 6.112 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.051 2.404 3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.630 3.103 4.363 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.758 1.219 2.134 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.365 2.091 2.741 1.00 0.00 H new ATOM 730 N SER A 52 -3.394 -2.302 4.602 1.00 0.00 N ATOM 731 CA SER A 52 -4.212 -3.428 4.151 1.00 0.00 C ATOM 732 C SER A 52 -5.739 -3.146 4.079 1.00 0.00 C ATOM 733 O SER A 52 -6.451 -3.787 3.305 1.00 0.00 O ATOM 734 CB SER A 52 -3.963 -4.651 5.042 1.00 0.00 C ATOM 735 OG SER A 52 -5.109 -5.484 5.111 1.00 0.00 O ATOM 0 H SER A 52 -2.588 -2.564 5.170 1.00 0.00 H new ATOM 0 HA SER A 52 -3.895 -3.615 3.125 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.120 -5.221 4.652 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.689 -4.323 6.045 1.00 0.00 H new ATOM 0 HG SER A 52 -4.845 -6.416 4.962 1.00 0.00 H new ATOM 740 N ASN A 53 -6.238 -2.183 4.891 1.00 0.00 N ATOM 741 CA ASN A 53 -7.675 -1.846 4.900 1.00 0.00 C ATOM 742 C ASN A 53 -8.048 -0.904 3.744 1.00 0.00 C ATOM 743 O ASN A 53 -9.226 -0.723 3.432 1.00 0.00 O ATOM 744 CB ASN A 53 -8.092 -1.210 6.231 1.00 0.00 C ATOM 745 CG ASN A 53 -7.622 0.228 6.376 1.00 0.00 C ATOM 746 OD1 ASN A 53 -6.616 0.626 5.789 1.00 0.00 O ATOM 747 ND2 ASN A 53 -8.351 1.016 7.160 1.00 0.00 N ATOM 0 H ASN A 53 -5.672 -1.635 5.539 1.00 0.00 H new ATOM 0 HA ASN A 53 -8.214 -2.785 4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -9.178 -1.242 6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -7.689 -1.803 7.052 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.083 1.991 7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.178 0.645 7.628 1.00 0.00 H new ATOM 753 N TYR A 54 -7.040 -0.315 3.121 1.00 0.00 N ATOM 754 CA TYR A 54 -7.249 0.573 1.992 1.00 0.00 C ATOM 755 C TYR A 54 -7.345 -0.277 0.697 1.00 0.00 C ATOM 756 O TYR A 54 -7.691 0.235 -0.368 1.00 0.00 O ATOM 757 CB TYR A 54 -6.076 1.569 1.916 1.00 0.00 C ATOM 758 CG TYR A 54 -6.381 3.024 2.161 1.00 0.00 C ATOM 759 CD1 TYR A 54 -6.415 3.494 3.458 1.00 0.00 C ATOM 760 CD2 TYR A 54 -6.531 3.943 1.121 1.00 0.00 C ATOM 761 CE1 TYR A 54 -6.612 4.828 3.725 1.00 0.00 C ATOM 762 CE2 TYR A 54 -6.708 5.281 1.378 1.00 0.00 C ATOM 763 CZ TYR A 54 -6.753 5.724 2.677 1.00 0.00 C ATOM 764 OH TYR A 54 -6.912 7.067 2.923 1.00 0.00 O ATOM 0 H TYR A 54 -6.062 -0.438 3.382 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.175 1.136 2.108 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -5.323 1.257 2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -5.624 1.482 0.928 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.285 2.802 4.277 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.508 3.597 0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -6.657 5.176 4.746 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.811 5.981 0.562 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.594 7.194 3.616 1.00 0.00 H new ATOM 773 N VAL A 55 -7.146 -1.606 0.829 1.00 0.00 N ATOM 774 CA VAL A 55 -7.139 -2.511 -0.328 1.00 0.00 C ATOM 775 C VAL A 55 -7.849 -3.831 -0.068 1.00 0.00 C ATOM 776 O VAL A 55 -8.026 -4.245 1.077 1.00 0.00 O ATOM 777 CB VAL A 55 -5.699 -2.911 -0.725 1.00 0.00 C ATOM 778 CG1 VAL A 55 -4.877 -1.715 -1.150 1.00 0.00 C ATOM 779 CG2 VAL A 55 -5.025 -3.675 0.410 1.00 0.00 C ATOM 0 H VAL A 55 -6.989 -2.069 1.724 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.649 -1.945 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.764 -3.571 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.873 -2.041 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.347 -1.237 -2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.818 -1.003 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.012 -3.949 0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.985 -3.046 1.299 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.595 -4.578 0.630 1.00 0.00 H new ATOM 789 N SER A 56 -8.251 -4.479 -1.146 1.00 0.00 N ATOM 790 CA SER A 56 -8.882 -5.781 -1.079 1.00 0.00 C ATOM 791 C SER A 56 -7.912 -6.844 -1.602 1.00 0.00 C ATOM 792 O SER A 56 -7.424 -6.743 -2.726 1.00 0.00 O ATOM 793 CB SER A 56 -10.145 -5.776 -1.917 1.00 0.00 C ATOM 794 OG SER A 56 -11.106 -6.687 -1.410 1.00 0.00 O ATOM 0 H SER A 56 -8.148 -4.115 -2.093 1.00 0.00 H new ATOM 0 HA SER A 56 -9.141 -6.010 -0.045 1.00 0.00 H new ATOM 0 HB2 SER A 56 -10.568 -4.771 -1.935 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.901 -6.038 -2.947 1.00 0.00 H new ATOM 0 HG SER A 56 -11.910 -6.660 -1.970 1.00 0.00 H new ATOM 799 N LEU A 57 -7.681 -7.885 -0.807 1.00 0.00 N ATOM 800 CA LEU A 57 -6.748 -8.932 -1.230 1.00 0.00 C ATOM 801 C LEU A 57 -7.386 -9.846 -2.258 1.00 0.00 C ATOM 802 O LEU A 57 -8.494 -10.348 -2.074 1.00 0.00 O ATOM 803 CB LEU A 57 -6.239 -9.754 -0.047 1.00 0.00 C ATOM 804 CG LEU A 57 -5.281 -9.013 0.888 1.00 0.00 C ATOM 805 CD1 LEU A 57 -4.889 -9.884 2.077 1.00 0.00 C ATOM 806 CD2 LEU A 57 -4.041 -8.576 0.125 1.00 0.00 C ATOM 0 H LEU A 57 -8.111 -8.028 0.107 1.00 0.00 H new ATOM 0 HA LEU A 57 -5.894 -8.430 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -7.095 -10.098 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.736 -10.642 -0.430 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.794 -8.131 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.208 -9.331 2.724 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.782 -10.156 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.396 -10.788 1.719 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.366 -8.050 0.799 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.537 -9.452 -0.282 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.330 -7.912 -0.690 1.00 0.00 H new ATOM 817 N GLY A 58 -6.658 -10.049 -3.343 1.00 0.00 N ATOM 818 CA GLY A 58 -7.145 -10.872 -4.428 1.00 0.00 C ATOM 819 C GLY A 58 -6.974 -12.359 -4.172 1.00 0.00 C ATOM 820 O GLY A 58 -7.292 -13.178 -5.034 1.00 0.00 O ATOM 0 H GLY A 58 -5.729 -9.654 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.201 -10.657 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.618 -10.604 -5.344 1.00 0.00 H new ATOM 824 N ASN A 59 -6.480 -12.714 -2.987 1.00 0.00 N ATOM 825 CA ASN A 59 -6.268 -14.115 -2.638 1.00 0.00 C ATOM 826 C ASN A 59 -5.731 -14.254 -1.213 1.00 0.00 C ATOM 827 O ASN A 59 -6.259 -15.033 -0.423 1.00 0.00 O ATOM 828 CB ASN A 59 -5.326 -14.789 -3.651 1.00 0.00 C ATOM 829 CG ASN A 59 -3.853 -14.553 -3.364 1.00 0.00 C ATOM 830 OD1 ASN A 59 -3.394 -13.413 -3.293 1.00 0.00 O ATOM 831 ND2 ASN A 59 -3.107 -15.640 -3.203 1.00 0.00 N ATOM 0 H ASN A 59 -6.220 -12.052 -2.256 1.00 0.00 H new ATOM 0 HA ASN A 59 -7.232 -14.623 -2.679 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.519 -15.862 -3.656 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.556 -14.419 -4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.109 -15.550 -3.012 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.532 -16.565 -3.271 1.00 0.00 H new TER 837 ASN A 59 ATOM 838 N ALA B 7 -6.444 17.046 1.180 1.00 0.00 N ATOM 839 CA ALA B 7 -7.875 16.645 1.199 1.00 0.00 C ATOM 840 C ALA B 7 -8.021 15.145 0.898 1.00 0.00 C ATOM 841 O ALA B 7 -7.194 14.359 1.361 1.00 0.00 O ATOM 842 CB ALA B 7 -8.664 17.509 0.222 1.00 0.00 C ATOM 0 HA ALA B 7 -8.286 16.808 2.195 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -9.713 17.212 0.239 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -8.579 18.556 0.512 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -8.266 17.377 -0.784 1.00 0.00 H new ATOM 850 N LYS B 6 -9.053 14.768 0.100 1.00 0.00 N ATOM 851 CA LYS B 6 -9.330 13.350 -0.246 1.00 0.00 C ATOM 852 C LYS B 6 -10.830 13.074 -0.268 1.00 0.00 C ATOM 853 O LYS B 6 -11.408 12.757 -1.307 1.00 0.00 O ATOM 854 CB LYS B 6 -8.651 12.365 0.730 1.00 0.00 C ATOM 855 CG LYS B 6 -9.125 10.923 0.624 1.00 0.00 C ATOM 856 CD LYS B 6 -9.237 10.275 1.991 1.00 0.00 C ATOM 857 CE LYS B 6 -7.882 10.164 2.670 1.00 0.00 C ATOM 858 NZ LYS B 6 -7.925 10.650 4.077 1.00 0.00 N ATOM 0 H LYS B 6 -9.709 15.429 -0.317 1.00 0.00 H new ATOM 0 HA LYS B 6 -8.912 13.192 -1.240 1.00 0.00 H new ATOM 0 HB2 LYS B 6 -7.575 12.391 0.558 1.00 0.00 H new ATOM 0 HB3 LYS B 6 -8.820 12.713 1.749 1.00 0.00 H new ATOM 0 HG2 LYS B 6 -10.094 10.893 0.125 1.00 0.00 H new ATOM 0 HG3 LYS B 6 -8.430 10.354 0.006 1.00 0.00 H new ATOM 0 HD2 LYS B 6 -9.912 10.859 2.617 1.00 0.00 H new ATOM 0 HD3 LYS B 6 -9.676 9.283 1.889 1.00 0.00 H new ATOM 0 HE2 LYS B 6 -7.552 9.125 2.655 1.00 0.00 H new ATOM 0 HE3 LYS B 6 -7.146 10.740 2.109 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 -6.982 10.558 4.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 -8.215 11.649 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 -8.608 10.084 4.619 1.00 0.00 H new ATOM 868 N LYS B 5 -11.442 13.202 0.899 1.00 0.00 N ATOM 869 CA LYS B 5 -12.878 12.998 1.059 1.00 0.00 C ATOM 870 C LYS B 5 -13.394 11.699 0.427 1.00 0.00 C ATOM 871 O LYS B 5 -14.042 11.765 -0.613 1.00 0.00 O ATOM 872 CB LYS B 5 -13.641 14.178 0.451 1.00 0.00 C ATOM 873 CG LYS B 5 -14.052 15.226 1.473 1.00 0.00 C ATOM 874 CD LYS B 5 -15.519 15.596 1.334 1.00 0.00 C ATOM 875 CE LYS B 5 -15.702 16.827 0.461 1.00 0.00 C ATOM 876 NZ LYS B 5 -16.137 16.469 -0.918 1.00 0.00 N ATOM 0 H LYS B 5 -10.960 13.450 1.763 1.00 0.00 H new ATOM 0 HA LYS B 5 -13.053 12.924 2.132 1.00 0.00 H new ATOM 0 HB2 LYS B 5 -13.019 14.649 -0.310 1.00 0.00 H new ATOM 0 HB3 LYS B 5 -14.532 13.803 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS B 5 -13.865 14.848 2.478 1.00 0.00 H new ATOM 0 HG3 LYS B 5 -13.438 16.118 1.348 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -16.068 14.758 0.903 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -15.944 15.782 2.321 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -16.441 17.488 0.915 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -14.765 17.381 0.414 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -16.251 17.335 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -15.420 15.859 -1.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -17.044 15.962 -0.875 1.00 0.00 H new ATOM 886 N THR B 4 -13.103 10.533 1.056 1.00 0.00 N ATOM 887 CA THR B 4 -13.580 9.208 0.570 1.00 0.00 C ATOM 888 C THR B 4 -12.575 8.067 0.661 1.00 0.00 C ATOM 889 O THR B 4 -12.642 7.142 -0.139 1.00 0.00 O ATOM 890 CB THR B 4 -14.183 9.200 -0.852 1.00 0.00 C ATOM 891 OG1 THR B 4 -14.710 7.901 -1.147 1.00 0.00 O ATOM 892 CG2 THR B 4 -13.143 9.569 -1.900 1.00 0.00 C ATOM 0 H THR B 4 -12.539 10.481 1.904 1.00 0.00 H new ATOM 0 HA THR B 4 -14.376 9.026 1.292 1.00 0.00 H new ATOM 0 HB THR B 4 -14.979 9.944 -0.881 1.00 0.00 H new ATOM 0 HG1 THR B 4 -13.971 7.271 -1.281 1.00 0.00 H new ATOM 0 HG21 THR B 4 -13.601 9.554 -2.889 1.00 0.00 H new ATOM 0 HG22 THR B 4 -12.758 10.568 -1.694 1.00 0.00 H new ATOM 0 HG23 THR B 4 -12.324 8.850 -1.869 1.00 0.00 H new ATOM 900 N LYS B 3 -11.657 8.108 1.616 1.00 0.00 N ATOM 901 CA LYS B 3 -10.758 6.968 1.837 1.00 0.00 C ATOM 902 C LYS B 3 -10.430 6.830 3.316 1.00 0.00 C ATOM 903 O LYS B 3 -10.164 7.822 3.994 1.00 0.00 O ATOM 904 CB LYS B 3 -9.436 7.052 1.066 1.00 0.00 C ATOM 905 CG LYS B 3 -9.525 7.736 -0.282 1.00 0.00 C ATOM 906 CD LYS B 3 -8.185 7.682 -1.013 1.00 0.00 C ATOM 907 CE LYS B 3 -7.094 8.406 -0.242 1.00 0.00 C ATOM 908 NZ LYS B 3 -6.564 9.579 -0.992 1.00 0.00 N ATOM 0 H LYS B 3 -11.510 8.899 2.243 1.00 0.00 H new ATOM 0 HA LYS B 3 -11.304 6.101 1.464 1.00 0.00 H new ATOM 0 HB2 LYS B 3 -8.708 7.583 1.679 1.00 0.00 H new ATOM 0 HB3 LYS B 3 -9.053 6.042 0.920 1.00 0.00 H new ATOM 0 HG2 LYS B 3 -10.293 7.255 -0.888 1.00 0.00 H new ATOM 0 HG3 LYS B 3 -9.828 8.774 -0.148 1.00 0.00 H new ATOM 0 HD2 LYS B 3 -7.895 6.642 -1.164 1.00 0.00 H new ATOM 0 HD3 LYS B 3 -8.291 8.130 -2.001 1.00 0.00 H new ATOM 0 HE2 LYS B 3 -7.488 8.738 0.718 1.00 0.00 H new ATOM 0 HE3 LYS B 3 -6.280 7.713 -0.030 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 -5.976 10.159 -0.359 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 -5.988 9.248 -1.793 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 -7.357 10.150 -1.348 1.00 0.00 H new ATOM 918 N PRO B 2 -10.453 5.594 3.842 1.00 0.00 N ATOM 919 CA PRO B 2 -10.116 5.324 5.238 1.00 0.00 C ATOM 920 C PRO B 2 -8.887 6.109 5.662 1.00 0.00 C ATOM 921 O PRO B 2 -8.201 6.672 4.824 1.00 0.00 O ATOM 922 CB PRO B 2 -9.741 3.846 5.193 1.00 0.00 C ATOM 923 CG PRO B 2 -10.611 3.274 4.133 1.00 0.00 C ATOM 924 CD PRO B 2 -10.807 4.361 3.114 1.00 0.00 C ATOM 0 HA PRO B 2 -10.920 5.585 5.926 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -8.686 3.711 4.956 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -9.916 3.363 6.154 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -10.148 2.397 3.681 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -11.567 2.952 4.547 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -10.168 4.213 2.243 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -11.835 4.391 2.753 1.00 0.00 H new ATOM 929 N THR B 1 -8.621 6.182 6.945 1.00 0.00 N ATOM 930 CA THR B 1 -7.414 6.847 7.401 1.00 0.00 C ATOM 931 C THR B 1 -6.322 5.797 7.508 1.00 0.00 C ATOM 932 O THR B 1 -6.398 4.939 8.388 1.00 0.00 O ATOM 933 CB THR B 1 -7.612 7.527 8.770 1.00 0.00 C ATOM 934 OG1 THR B 1 -8.782 8.352 8.744 1.00 0.00 O ATOM 935 CG2 THR B 1 -6.398 8.370 9.135 1.00 0.00 C ATOM 0 H THR B 1 -9.210 5.798 7.684 1.00 0.00 H new ATOM 0 HA THR B 1 -7.148 7.629 6.690 1.00 0.00 H new ATOM 0 HB THR B 1 -7.735 6.749 9.523 1.00 0.00 H new ATOM 0 HG1 THR B 1 -8.901 8.779 9.618 1.00 0.00 H new ATOM 0 HG21 THR B 1 -6.560 8.840 10.105 1.00 0.00 H new ATOM 0 HG22 THR B 1 -5.514 7.734 9.183 1.00 0.00 H new ATOM 0 HG23 THR B 1 -6.249 9.140 8.378 1.00 0.00 H new ATOM 943 N PRO B 0 -5.297 5.816 6.615 1.00 0.00 N ATOM 944 CA PRO B 0 -4.225 4.809 6.632 1.00 0.00 C ATOM 945 C PRO B 0 -3.867 4.382 8.057 1.00 0.00 C ATOM 946 O PRO B 0 -3.103 5.055 8.750 1.00 0.00 O ATOM 947 CB PRO B 0 -3.104 5.543 5.914 1.00 0.00 C ATOM 948 CG PRO B 0 -3.859 6.230 4.832 1.00 0.00 C ATOM 949 CD PRO B 0 -5.057 6.818 5.542 1.00 0.00 C ATOM 0 HA PRO B 0 -4.483 3.863 6.156 1.00 0.00 H new ATOM 0 HB2 PRO B 0 -2.588 6.247 6.567 1.00 0.00 H new ATOM 0 HB3 PRO B 0 -2.350 4.861 5.521 1.00 0.00 H new ATOM 0 HG2 PRO B 0 -3.258 7.004 4.355 1.00 0.00 H new ATOM 0 HG3 PRO B 0 -4.160 5.533 4.050 1.00 0.00 H new ATOM 0 HD2 PRO B 0 -4.847 7.808 5.947 1.00 0.00 H new ATOM 0 HD3 PRO B 0 -5.916 6.920 4.879 1.00 0.00 H new ATOM 954 N PRO B -1 -4.448 3.242 8.502 1.00 0.00 N ATOM 955 CA PRO B -1 -4.298 2.698 9.847 1.00 0.00 C ATOM 956 C PRO B -1 -2.980 3.025 10.538 1.00 0.00 C ATOM 957 O PRO B -1 -1.969 3.265 9.883 1.00 0.00 O ATOM 958 CB PRO B -1 -4.411 1.178 9.632 1.00 0.00 C ATOM 959 CG PRO B -1 -4.863 0.989 8.216 1.00 0.00 C ATOM 960 CD PRO B -1 -5.294 2.337 7.714 1.00 0.00 C ATOM 0 HA PRO B -1 -5.047 3.133 10.509 1.00 0.00 H new ATOM 0 HB2 PRO B -1 -3.452 0.688 9.803 1.00 0.00 H new ATOM 0 HB3 PRO B -1 -5.123 0.738 10.330 1.00 0.00 H new ATOM 0 HG2 PRO B -1 -4.056 0.588 7.603 1.00 0.00 H new ATOM 0 HG3 PRO B -1 -5.686 0.276 8.165 1.00 0.00 H new ATOM 0 HD2 PRO B -1 -5.123 2.447 6.643 1.00 0.00 H new ATOM 0 HD3 PRO B -1 -6.355 2.517 7.887 1.00 0.00 H new ATOM 965 N PRO B -2 -3.011 3.054 11.892 1.00 0.00 N ATOM 966 CA PRO B -2 -1.828 3.288 12.742 1.00 0.00 C ATOM 967 C PRO B -2 -0.651 2.393 12.327 1.00 0.00 C ATOM 968 O PRO B -2 -0.292 1.479 13.075 1.00 0.00 O ATOM 969 CB PRO B -2 -2.314 2.749 14.094 1.00 0.00 C ATOM 970 CG PRO B -2 -3.758 3.080 14.118 1.00 0.00 C ATOM 971 CD PRO B -2 -4.235 2.870 12.712 1.00 0.00 C ATOM 0 HA PRO B -2 -1.494 4.325 12.709 1.00 0.00 H new ATOM 0 HB2 PRO B -2 -2.150 1.675 14.177 1.00 0.00 H new ATOM 0 HB3 PRO B -2 -1.784 3.217 14.923 1.00 0.00 H new ATOM 0 HG2 PRO B -2 -4.297 2.439 14.816 1.00 0.00 H new ATOM 0 HG3 PRO B -2 -3.920 4.109 14.439 1.00 0.00 H new ATOM 0 HD2 PRO B -2 -4.660 1.875 12.578 1.00 0.00 H new ATOM 0 HD3 PRO B -2 -5.010 3.587 12.441 1.00 0.00 H new ATOM 976 N LYS B -3 -0.014 2.592 11.181 1.00 0.00 N ATOM 977 CA LYS B -3 1.062 1.741 10.717 1.00 0.00 C ATOM 978 C LYS B -3 2.140 1.610 11.795 1.00 0.00 C ATOM 979 O LYS B -3 2.704 2.603 12.256 1.00 0.00 O ATOM 980 CB LYS B -3 1.680 2.328 9.449 1.00 0.00 C ATOM 981 CG LYS B -3 2.496 3.580 9.702 1.00 0.00 C ATOM 982 CD LYS B -3 1.685 4.636 10.442 1.00 0.00 C ATOM 983 CE LYS B -3 2.421 5.963 10.529 1.00 0.00 C ATOM 984 NZ LYS B -3 1.656 7.064 9.880 1.00 0.00 N ATOM 0 H LYS B -3 -0.235 3.358 10.544 1.00 0.00 H new ATOM 0 HA LYS B -3 0.654 0.754 10.500 1.00 0.00 H new ATOM 0 HB2 LYS B -3 2.317 1.576 8.982 1.00 0.00 H new ATOM 0 HB3 LYS B -3 0.885 2.558 8.739 1.00 0.00 H new ATOM 0 HG2 LYS B -3 3.382 3.326 10.284 1.00 0.00 H new ATOM 0 HG3 LYS B -3 2.844 3.987 8.752 1.00 0.00 H new ATOM 0 HD2 LYS B -3 0.732 4.783 9.934 1.00 0.00 H new ATOM 0 HD3 LYS B -3 1.459 4.281 11.447 1.00 0.00 H new ATOM 0 HE2 LYS B -3 2.599 6.212 11.575 1.00 0.00 H new ATOM 0 HE3 LYS B -3 3.397 5.869 10.053 1.00 0.00 H new ATOM 0 HZ1 LYS B -3 2.282 7.881 9.732 1.00 0.00 H new ATOM 0 HZ2 LYS B -3 1.289 6.738 8.963 1.00 0.00 H new ATOM 0 HZ3 LYS B -3 0.862 7.342 10.491 1.00 0.00 H new ATOM 994 N PRO B -4 2.430 0.360 12.205 1.00 0.00 N ATOM 995 CA PRO B -4 3.391 0.070 13.261 1.00 0.00 C ATOM 996 C PRO B -4 4.652 0.926 13.175 1.00 0.00 C ATOM 997 O PRO B -4 5.306 1.012 12.138 1.00 0.00 O ATOM 998 CB PRO B -4 3.638 -1.447 13.137 1.00 0.00 C ATOM 999 CG PRO B -4 2.790 -1.939 12.021 1.00 0.00 C ATOM 1000 CD PRO B -4 1.820 -0.861 11.669 1.00 0.00 C ATOM 0 HA PRO B -4 3.016 0.327 14.251 1.00 0.00 H new ATOM 0 HB2 PRO B -4 4.690 -1.651 12.940 1.00 0.00 H new ATOM 0 HB3 PRO B -4 3.384 -1.956 14.067 1.00 0.00 H new ATOM 0 HG2 PRO B -4 3.406 -2.194 11.158 1.00 0.00 H new ATOM 0 HG3 PRO B -4 2.262 -2.846 12.315 1.00 0.00 H new ATOM 0 HD2 PRO B -4 1.674 -0.793 10.591 1.00 0.00 H new ATOM 0 HD3 PRO B -4 0.841 -1.045 12.112 1.00 0.00 H new ATOM 1005 N SER B -5 4.951 1.575 14.305 1.00 0.00 N ATOM 1006 CA SER B -5 6.057 2.525 14.424 1.00 0.00 C ATOM 1007 C SER B -5 7.419 1.995 13.992 1.00 0.00 C ATOM 1008 O SER B -5 8.295 2.758 13.586 1.00 0.00 O ATOM 1009 CB SER B -5 6.074 3.136 15.826 1.00 0.00 C ATOM 1010 OG SER B -5 4.806 3.667 16.167 1.00 0.00 O ATOM 0 H SER B -5 4.425 1.453 15.171 1.00 0.00 H new ATOM 0 HA SER B -5 5.861 3.313 13.697 1.00 0.00 H new ATOM 0 HB2 SER B -5 6.361 2.377 16.553 1.00 0.00 H new ATOM 0 HB3 SER B -5 6.826 3.924 15.874 1.00 0.00 H new ATOM 0 HG SER B -5 4.843 4.050 17.068 1.00 0.00 H new ATOM 1015 N HIS B -6 7.596 0.684 14.097 1.00 0.00 N ATOM 1016 CA HIS B -6 8.819 0.042 13.632 1.00 0.00 C ATOM 1017 C HIS B -6 8.770 -0.097 12.103 1.00 0.00 C ATOM 1018 O HIS B -6 9.729 -0.540 11.473 1.00 0.00 O ATOM 1019 CB HIS B -6 8.966 -1.346 14.259 1.00 0.00 C ATOM 1020 CG HIS B -6 7.859 -2.287 13.895 1.00 0.00 C ATOM 1021 ND1 HIS B -6 7.671 -3.053 12.794 1.00 0.00 N flip ATOM 1022 CD2 HIS B -6 6.775 -2.525 14.713 1.00 0.00 C flip ATOM 1023 CE1 HIS B -6 6.490 -3.732 12.968 1.00 0.00 C flip ATOM 1024 NE2 HIS B -6 5.969 -3.396 14.133 1.00 0.00 N flip ATOM 0 H HIS B -6 6.910 0.046 14.499 1.00 0.00 H new ATOM 0 HA HIS B -6 9.671 0.655 13.925 1.00 0.00 H new ATOM 0 HB2 HIS B -6 9.917 -1.778 13.947 1.00 0.00 H new ATOM 0 HB3 HIS B -6 9.003 -1.244 15.344 1.00 0.00 H new ATOM 0 HD2 HIS B -6 6.610 -2.070 15.678 1.00 0.00 H new ATOM 0 HE1 HIS B -6 6.057 -4.428 12.265 1.00 0.00 H new ATOM 0 HE2 HIS B -6 5.093 -3.749 14.520 1.00 0.00 H new ATOM 1032 N LEU B -7 7.628 0.290 11.525 1.00 0.00 N ATOM 1033 CA LEU B -7 7.421 0.172 10.095 1.00 0.00 C ATOM 1034 C LEU B -7 7.387 1.525 9.389 1.00 0.00 C ATOM 1035 O LEU B -7 6.595 1.752 8.475 1.00 0.00 O ATOM 1036 CB LEU B -7 6.155 -0.667 9.890 1.00 0.00 C ATOM 1037 CG LEU B -7 5.977 -1.304 8.524 1.00 0.00 C ATOM 1038 CD1 LEU B -7 6.977 -2.432 8.323 1.00 0.00 C ATOM 1039 CD2 LEU B -7 4.550 -1.807 8.414 1.00 0.00 C ATOM 0 H LEU B -7 6.838 0.687 12.034 1.00 0.00 H new ATOM 0 HA LEU B -7 8.267 -0.332 9.627 1.00 0.00 H new ATOM 0 HB2 LEU B -7 6.146 -1.459 10.639 1.00 0.00 H new ATOM 0 HB3 LEU B -7 5.290 -0.033 10.086 1.00 0.00 H new ATOM 0 HG LEU B -7 6.164 -0.569 7.741 1.00 0.00 H new ATOM 0 HD11 LEU B -7 6.832 -2.875 7.338 1.00 0.00 H new ATOM 0 HD12 LEU B -7 7.990 -2.038 8.398 1.00 0.00 H new ATOM 0 HD13 LEU B -7 6.826 -3.193 9.089 1.00 0.00 H new ATOM 0 HD21 LEU B -7 4.401 -2.269 7.438 1.00 0.00 H new ATOM 0 HD22 LEU B -7 4.362 -2.543 9.196 1.00 0.00 H new ATOM 0 HD23 LEU B -7 3.860 -0.971 8.529 1.00 0.00 H new ATOM 1050 N LYS B -8 8.271 2.419 9.840 1.00 0.00 N ATOM 1051 CA LYS B -8 8.443 3.743 9.249 1.00 0.00 C ATOM 1052 C LYS B -8 9.703 3.757 8.385 1.00 0.00 C ATOM 1053 O LYS B -8 10.578 2.907 8.549 1.00 0.00 O ATOM 1054 CB LYS B -8 8.580 4.799 10.350 1.00 0.00 C ATOM 1055 CG LYS B -8 7.499 4.721 11.408 1.00 0.00 C ATOM 1056 CD LYS B -8 6.141 5.029 10.821 1.00 0.00 C ATOM 1057 CE LYS B -8 5.122 5.336 11.908 1.00 0.00 C ATOM 1058 NZ LYS B -8 4.818 6.791 11.990 1.00 0.00 N ATOM 0 H LYS B -8 8.890 2.240 10.631 1.00 0.00 H new ATOM 0 HA LYS B -8 7.570 3.971 8.637 1.00 0.00 H new ATOM 0 HB2 LYS B -8 9.553 4.688 10.829 1.00 0.00 H new ATOM 0 HB3 LYS B -8 8.560 5.789 9.895 1.00 0.00 H new ATOM 0 HG2 LYS B -8 7.490 3.725 11.851 1.00 0.00 H new ATOM 0 HG3 LYS B -8 7.720 5.425 12.211 1.00 0.00 H new ATOM 0 HD2 LYS B -8 6.220 5.880 10.144 1.00 0.00 H new ATOM 0 HD3 LYS B -8 5.798 4.181 10.228 1.00 0.00 H new ATOM 0 HE2 LYS B -8 4.203 4.784 11.710 1.00 0.00 H new ATOM 0 HE3 LYS B -8 5.501 4.990 12.869 1.00 0.00 H new ATOM 0 HZ1 LYS B -8 4.036 6.945 12.658 1.00 0.00 H new ATOM 0 HZ2 LYS B -8 5.661 7.304 12.319 1.00 0.00 H new ATOM 0 HZ3 LYS B -8 4.545 7.142 11.050 1.00 0.00 H new ATOM 1068 N PRO B -9 9.819 4.718 7.455 1.00 0.00 N ATOM 1069 CA PRO B -9 10.997 4.825 6.589 1.00 0.00 C ATOM 1070 C PRO B -9 12.211 5.338 7.355 1.00 0.00 C ATOM 1071 O PRO B -9 12.062 5.945 8.416 1.00 0.00 O ATOM 1072 CB PRO B -9 10.561 5.830 5.525 1.00 0.00 C ATOM 1073 CG PRO B -9 9.527 6.665 6.195 1.00 0.00 C ATOM 1074 CD PRO B -9 8.818 5.760 7.166 1.00 0.00 C ATOM 0 HA PRO B -9 11.302 3.864 6.175 1.00 0.00 H new ATOM 0 HB2 PRO B -9 11.401 6.436 5.185 1.00 0.00 H new ATOM 0 HB3 PRO B -9 10.156 5.327 4.647 1.00 0.00 H new ATOM 0 HG2 PRO B -9 9.984 7.509 6.712 1.00 0.00 H new ATOM 0 HG3 PRO B -9 8.829 7.078 5.467 1.00 0.00 H new ATOM 0 HD2 PRO B -9 8.521 6.293 8.069 1.00 0.00 H new ATOM 0 HD3 PRO B -9 7.911 5.337 6.733 1.00 0.00 H new ATOM 1079 N LYS B -10 13.411 5.105 6.833 1.00 0.00 N ATOM 1080 CA LYS B -10 14.620 5.585 7.494 1.00 0.00 C ATOM 1081 C LYS B -10 14.706 5.054 8.920 1.00 0.00 C ATOM 1082 O LYS B -10 15.735 4.516 9.322 1.00 0.00 O ATOM 1083 CB LYS B -10 14.644 7.114 7.503 1.00 0.00 C ATOM 1084 CG LYS B -10 14.333 7.733 6.150 1.00 0.00 C ATOM 1085 CD LYS B -10 15.438 8.679 5.705 1.00 0.00 C ATOM 1086 CE LYS B -10 15.566 8.711 4.191 1.00 0.00 C ATOM 1087 NZ LYS B -10 16.821 9.383 3.754 1.00 0.00 N ATOM 0 H LYS B -10 13.572 4.593 5.965 1.00 0.00 H new ATOM 0 HA LYS B -10 15.482 5.218 6.937 1.00 0.00 H new ATOM 0 HB2 LYS B -10 13.922 7.477 8.234 1.00 0.00 H new ATOM 0 HB3 LYS B -10 15.627 7.452 7.831 1.00 0.00 H new ATOM 0 HG2 LYS B -10 14.206 6.945 5.408 1.00 0.00 H new ATOM 0 HG3 LYS B -10 13.389 8.274 6.204 1.00 0.00 H new ATOM 0 HD2 LYS B -10 15.230 9.683 6.075 1.00 0.00 H new ATOM 0 HD3 LYS B -10 16.385 8.367 6.145 1.00 0.00 H new ATOM 0 HE2 LYS B -10 15.546 7.692 3.803 1.00 0.00 H new ATOM 0 HE3 LYS B -10 14.708 9.231 3.765 1.00 0.00 H new ATOM 0 HZ1 LYS B -10 16.871 9.384 2.715 1.00 0.00 H new ATOM 0 HZ2 LYS B -10 16.829 10.363 4.102 1.00 0.00 H new ATOM 0 HZ3 LYS B -10 17.641 8.872 4.139 1.00 0.00 H new TER 1097 LYS B -10