USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 886 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 27 MET CE :methyl 163:sc= -0.611 (180deg=-1.22) USER MOD Set 1.2: A 32 THR OG1 : rot -102:sc= 1.22 USER MOD Set 1.3: A 35 GLN : amide:sc= 1.03 K(o=1.6,f=0.78) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 16:sc= 1.18 USER MOD Single : A 15 LYS NZ :NH3+ 168:sc= -0.0132 (180deg=-0.187) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.82) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 22 SER OG : rot 68:sc= 1.25 USER MOD Single : A 23 HIS : no HD1:sc= -0.0976 X(o=-0.098,f=-0.0035) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -56:sc= 0.199 USER MOD Single : A 30 HIS : no HD1:sc= -0.0276 X(o=-0.028,f=0) USER MOD Single : A 38 THR OG1 : rot 76:sc= 1.26 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0.775 K(o=0.77,f=-0.61) USER MOD Single : A 43 SER OG : rot -95:sc= 1.26 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.823 K(o=-0.82,f=-5.1!) USER MOD Single : A 52 SER OG : rot 81:sc= 0.371 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -130:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -3.06! C(o=-3.1!,f=-5.5!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 136:sc= 0.906 USER MOD Single : A 74 MET CE :methyl -163:sc= -0.0865 (180deg=-0.493) USER MOD Single : A 75 HIS : no HD1:sc= -0.0362 X(o=-0.036,f=-0.45) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot -41:sc= 0.191 USER MOD Single : A 84 GLN : amide:sc= 0.0923 X(o=0.092,f=-0.056) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 106 HIS : no HD1:sc= -0.0861 X(o=-0.086,f=-0.057) USER MOD Single : A 107 HIS : no HD1:sc= 1.03 K(o=1,f=-5.1!) USER MOD Single : A 108 HIS : no HD1:sc= -0.362 X(o=-0.36,f=-0.059) USER MOD Single : A 109 HIS : no HD1:sc= -0.0522 X(o=-0.052,f=-0.0018) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -6.848 18.397 16.565 1.00 0.00 N ATOM 2 CA PRO A 1 -5.592 18.046 15.861 1.00 0.00 C ATOM 3 C PRO A 1 -5.802 16.840 14.957 1.00 0.00 C ATOM 4 O PRO A 1 -6.534 15.918 15.312 1.00 0.00 O ATOM 5 CB PRO A 1 -4.514 17.750 16.893 1.00 0.00 C ATOM 6 CG PRO A 1 -5.265 17.686 18.173 1.00 0.00 C ATOM 7 CD PRO A 1 -6.487 18.557 17.988 1.00 0.00 C ATOM 0 H2 PRO A 1 -7.549 17.666 16.446 1.00 0.00 H new ATOM 0 H3 PRO A 1 -7.248 19.258 16.191 1.00 0.00 H new ATOM 0 HA PRO A 1 -5.283 18.884 15.236 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -4.003 16.811 16.681 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -3.753 18.530 16.913 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -5.550 16.660 18.407 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -4.654 18.044 19.002 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -7.301 18.242 18.641 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -6.271 19.598 18.227 1.00 0.00 H new ATOM 17 N PRO A 2 -5.175 16.837 13.770 1.00 0.00 N ATOM 18 CA PRO A 2 -5.263 15.719 12.829 1.00 0.00 C ATOM 19 C PRO A 2 -4.532 14.484 13.345 1.00 0.00 C ATOM 20 O PRO A 2 -3.299 14.457 13.413 1.00 0.00 O ATOM 21 CB PRO A 2 -4.582 16.246 11.557 1.00 0.00 C ATOM 22 CG PRO A 2 -4.446 17.718 11.757 1.00 0.00 C ATOM 23 CD PRO A 2 -4.343 17.925 13.239 1.00 0.00 C ATOM 0 HA PRO A 2 -6.295 15.407 12.668 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -3.608 15.778 11.411 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.178 16.024 10.672 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.562 18.101 11.247 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.306 18.249 11.348 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -3.313 17.855 13.588 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -4.716 18.904 13.539 1.00 0.00 H new ATOM 31 N VAL A 3 -5.293 13.467 13.719 1.00 0.00 N ATOM 32 CA VAL A 3 -4.723 12.244 14.264 1.00 0.00 C ATOM 33 C VAL A 3 -5.144 11.043 13.427 1.00 0.00 C ATOM 34 O VAL A 3 -6.329 10.716 13.349 1.00 0.00 O ATOM 35 CB VAL A 3 -5.149 12.010 15.731 1.00 0.00 C ATOM 36 CG1 VAL A 3 -4.503 10.742 16.288 1.00 0.00 C ATOM 37 CG2 VAL A 3 -4.804 13.216 16.596 1.00 0.00 C ATOM 0 H VAL A 3 -6.311 13.465 13.655 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.639 12.358 14.235 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.231 11.878 15.751 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.817 10.598 17.322 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.812 9.884 15.691 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.418 10.839 16.249 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.114 13.027 17.624 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -3.728 13.389 16.567 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.323 14.096 16.217 1.00 0.00 H new ATOM 47 N ALA A 4 -4.164 10.422 12.775 1.00 0.00 N ATOM 48 CA ALA A 4 -4.369 9.193 12.012 1.00 0.00 C ATOM 49 C ALA A 4 -5.270 9.418 10.803 1.00 0.00 C ATOM 50 O ALA A 4 -5.914 8.488 10.316 1.00 0.00 O ATOM 51 CB ALA A 4 -4.928 8.091 12.905 1.00 0.00 C ATOM 0 H ALA A 4 -3.201 10.758 12.761 1.00 0.00 H new ATOM 0 HA ALA A 4 -3.396 8.876 11.637 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.073 7.185 12.317 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -4.228 7.889 13.716 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.883 8.410 13.322 1.00 0.00 H new ATOM 57 N GLU A 5 -5.292 10.645 10.301 1.00 0.00 N ATOM 58 CA GLU A 5 -6.088 10.959 9.127 1.00 0.00 C ATOM 59 C GLU A 5 -5.393 10.498 7.853 1.00 0.00 C ATOM 60 O GLU A 5 -4.631 11.244 7.238 1.00 0.00 O ATOM 61 CB GLU A 5 -6.396 12.453 9.031 1.00 0.00 C ATOM 62 CG GLU A 5 -7.365 12.955 10.088 1.00 0.00 C ATOM 63 CD GLU A 5 -7.976 14.292 9.717 1.00 0.00 C ATOM 64 OE1 GLU A 5 -7.370 15.339 10.028 1.00 0.00 O ATOM 65 OE2 GLU A 5 -9.063 14.300 9.103 1.00 0.00 O ATOM 0 H GLU A 5 -4.771 11.433 10.686 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.030 10.421 9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.464 13.011 9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.809 12.665 8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.159 12.221 10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.844 13.048 11.041 1.00 0.00 H new ATOM 72 N TRP A 6 -5.639 9.253 7.487 1.00 0.00 N ATOM 73 CA TRP A 6 -5.172 8.725 6.217 1.00 0.00 C ATOM 74 C TRP A 6 -6.099 9.244 5.120 1.00 0.00 C ATOM 75 O TRP A 6 -7.314 9.305 5.311 1.00 0.00 O ATOM 76 CB TRP A 6 -5.175 7.189 6.266 1.00 0.00 C ATOM 77 CG TRP A 6 -4.286 6.516 5.256 1.00 0.00 C ATOM 78 CD1 TRP A 6 -3.514 7.107 4.294 1.00 0.00 C ATOM 79 CD2 TRP A 6 -4.072 5.104 5.125 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.846 6.147 3.573 1.00 0.00 N ATOM 81 CE2 TRP A 6 -3.170 4.911 4.063 1.00 0.00 C ATOM 82 CE3 TRP A 6 -4.560 3.982 5.805 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -2.749 3.644 3.663 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.139 2.726 5.408 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.241 2.567 4.348 1.00 0.00 C ATOM 0 H TRP A 6 -6.162 8.586 8.054 1.00 0.00 H new ATOM 0 HA TRP A 6 -4.152 9.050 6.011 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -4.870 6.872 7.263 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -6.196 6.838 6.119 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -3.440 8.171 4.126 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -2.210 6.327 2.796 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.253 4.095 6.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.059 3.517 2.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -4.510 1.853 5.925 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.929 1.573 4.064 1.00 0.00 H new ATOM 96 N ALA A 7 -5.536 9.632 3.980 1.00 0.00 N ATOM 97 CA ALA A 7 -6.316 10.256 2.908 1.00 0.00 C ATOM 98 C ALA A 7 -7.216 9.257 2.172 1.00 0.00 C ATOM 99 O ALA A 7 -7.739 9.553 1.097 1.00 0.00 O ATOM 100 CB ALA A 7 -5.387 10.953 1.932 1.00 0.00 C ATOM 0 H ALA A 7 -4.543 9.527 3.771 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.977 10.988 3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.974 11.415 1.138 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.818 11.721 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.701 10.225 1.500 1.00 0.00 H new ATOM 106 N VAL A 8 -7.392 8.082 2.752 1.00 0.00 N ATOM 107 CA VAL A 8 -8.338 7.109 2.241 1.00 0.00 C ATOM 108 C VAL A 8 -9.426 6.862 3.290 1.00 0.00 C ATOM 109 O VAL A 8 -9.124 6.583 4.452 1.00 0.00 O ATOM 110 CB VAL A 8 -7.641 5.783 1.843 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.818 5.221 2.985 1.00 0.00 C ATOM 112 CG2 VAL A 8 -8.658 4.753 1.369 1.00 0.00 C ATOM 0 H VAL A 8 -6.886 7.779 3.584 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.792 7.510 1.335 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.964 6.009 1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.344 4.292 2.669 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -6.051 5.941 3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.466 5.026 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.143 3.832 1.096 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.368 4.548 2.170 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.192 5.141 0.501 1.00 0.00 H new ATOM 122 N PRO A 9 -10.704 7.001 2.900 1.00 0.00 N ATOM 123 CA PRO A 9 -11.843 6.874 3.821 1.00 0.00 C ATOM 124 C PRO A 9 -11.837 5.558 4.599 1.00 0.00 C ATOM 125 O PRO A 9 -11.467 4.506 4.068 1.00 0.00 O ATOM 126 CB PRO A 9 -13.056 6.946 2.893 1.00 0.00 C ATOM 127 CG PRO A 9 -12.578 7.704 1.706 1.00 0.00 C ATOM 128 CD PRO A 9 -11.142 7.307 1.526 1.00 0.00 C ATOM 0 HA PRO A 9 -11.827 7.646 4.590 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.401 5.950 2.614 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.894 7.451 3.374 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.166 7.459 0.822 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.671 8.779 1.863 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -11.042 6.443 0.869 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.554 8.112 1.085 1.00 0.00 H new ATOM 136 N GLN A 10 -12.261 5.617 5.860 1.00 0.00 N ATOM 137 CA GLN A 10 -12.193 4.460 6.745 1.00 0.00 C ATOM 138 C GLN A 10 -13.131 3.344 6.283 1.00 0.00 C ATOM 139 O GLN A 10 -12.841 2.166 6.487 1.00 0.00 O ATOM 140 CB GLN A 10 -12.485 4.861 8.198 1.00 0.00 C ATOM 141 CG GLN A 10 -13.848 5.496 8.422 1.00 0.00 C ATOM 142 CD GLN A 10 -14.006 6.024 9.836 1.00 0.00 C ATOM 143 OE1 GLN A 10 -13.693 7.179 10.120 1.00 0.00 O ATOM 144 NE2 GLN A 10 -14.490 5.183 10.736 1.00 0.00 N ATOM 0 H GLN A 10 -12.655 6.454 6.290 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.176 4.071 6.700 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.405 3.975 8.828 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.716 5.559 8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.988 6.312 7.713 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -14.627 4.761 8.221 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.739 4.232 10.464 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.614 5.486 11.702 1.00 0.00 H new ATOM 153 N SER A 11 -14.234 3.708 5.636 1.00 0.00 N ATOM 154 CA SER A 11 -15.159 2.716 5.102 1.00 0.00 C ATOM 155 C SER A 11 -14.491 1.881 4.011 1.00 0.00 C ATOM 156 O SER A 11 -14.635 0.657 3.983 1.00 0.00 O ATOM 157 CB SER A 11 -16.428 3.391 4.568 1.00 0.00 C ATOM 158 OG SER A 11 -17.146 4.027 5.616 1.00 0.00 O ATOM 0 H SER A 11 -14.507 4.677 5.470 1.00 0.00 H new ATOM 0 HA SER A 11 -15.444 2.047 5.914 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.161 4.125 3.808 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.064 2.649 4.085 1.00 0.00 H new ATOM 0 HG SER A 11 -17.950 4.452 5.251 1.00 0.00 H new ATOM 164 N SER A 12 -13.744 2.533 3.125 1.00 0.00 N ATOM 165 CA SER A 12 -13.023 1.818 2.082 1.00 0.00 C ATOM 166 C SER A 12 -11.834 1.053 2.669 1.00 0.00 C ATOM 167 O SER A 12 -11.488 -0.031 2.198 1.00 0.00 O ATOM 168 CB SER A 12 -12.573 2.781 0.975 1.00 0.00 C ATOM 169 OG SER A 12 -11.962 3.946 1.505 1.00 0.00 O ATOM 0 H SER A 12 -13.624 3.546 3.109 1.00 0.00 H new ATOM 0 HA SER A 12 -13.700 1.089 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.872 2.272 0.314 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.433 3.066 0.369 1.00 0.00 H new ATOM 0 HG SER A 12 -11.724 3.793 2.443 1.00 0.00 H new ATOM 175 N ARG A 13 -11.232 1.611 3.720 1.00 0.00 N ATOM 176 CA ARG A 13 -10.126 0.953 4.409 1.00 0.00 C ATOM 177 C ARG A 13 -10.582 -0.383 4.983 1.00 0.00 C ATOM 178 O ARG A 13 -9.905 -1.396 4.831 1.00 0.00 O ATOM 179 CB ARG A 13 -9.583 1.843 5.531 1.00 0.00 C ATOM 180 CG ARG A 13 -8.820 3.060 5.032 1.00 0.00 C ATOM 181 CD ARG A 13 -8.489 4.025 6.162 1.00 0.00 C ATOM 182 NE ARG A 13 -7.661 3.414 7.203 1.00 0.00 N ATOM 183 CZ ARG A 13 -7.389 3.991 8.373 1.00 0.00 C ATOM 184 NH1 ARG A 13 -7.862 5.200 8.652 1.00 0.00 N ATOM 185 NH2 ARG A 13 -6.631 3.362 9.264 1.00 0.00 N ATOM 0 H ARG A 13 -11.493 2.516 4.111 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.329 0.777 3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.414 2.176 6.153 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.927 1.250 6.168 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.898 2.737 4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.413 3.575 4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.970 4.892 5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.415 4.388 6.607 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.268 2.490 7.022 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.437 5.693 7.969 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.650 5.636 9.549 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.257 2.437 9.053 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.423 3.804 10.159 1.00 0.00 H new ATOM 199 N LEU A 14 -11.747 -0.373 5.624 1.00 0.00 N ATOM 200 CA LEU A 14 -12.320 -1.572 6.213 1.00 0.00 C ATOM 201 C LEU A 14 -12.532 -2.659 5.166 1.00 0.00 C ATOM 202 O LEU A 14 -12.267 -3.836 5.420 1.00 0.00 O ATOM 203 CB LEU A 14 -13.652 -1.233 6.878 1.00 0.00 C ATOM 204 CG LEU A 14 -13.554 -0.372 8.136 1.00 0.00 C ATOM 205 CD1 LEU A 14 -14.941 -0.047 8.666 1.00 0.00 C ATOM 206 CD2 LEU A 14 -12.718 -1.068 9.205 1.00 0.00 C ATOM 0 H LEU A 14 -12.316 0.464 5.748 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.620 -1.950 6.958 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.280 -0.716 6.152 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.159 -2.164 7.133 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.057 0.562 7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.853 0.567 9.562 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.502 0.498 7.907 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.463 -0.972 8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.662 -0.436 10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.181 -2.020 9.466 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.713 -1.246 8.822 1.00 0.00 H new ATOM 218 N LYS A 15 -12.997 -2.249 3.993 1.00 0.00 N ATOM 219 CA LYS A 15 -13.295 -3.178 2.908 1.00 0.00 C ATOM 220 C LYS A 15 -12.040 -3.902 2.428 1.00 0.00 C ATOM 221 O LYS A 15 -12.033 -5.123 2.304 1.00 0.00 O ATOM 222 CB LYS A 15 -13.947 -2.433 1.740 1.00 0.00 C ATOM 223 CG LYS A 15 -14.353 -3.343 0.593 1.00 0.00 C ATOM 224 CD LYS A 15 -15.020 -2.569 -0.532 1.00 0.00 C ATOM 225 CE LYS A 15 -15.426 -3.489 -1.672 1.00 0.00 C ATOM 226 NZ LYS A 15 -16.456 -4.478 -1.255 1.00 0.00 N ATOM 0 H LYS A 15 -13.178 -1.271 3.767 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.988 -3.926 3.293 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.828 -1.904 2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.253 -1.679 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.473 -3.858 0.208 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.035 -4.110 0.961 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.900 -2.052 -0.149 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.338 -1.805 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.811 -2.892 -2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -14.547 -4.016 -2.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -16.850 -4.945 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.022 -5.191 -0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.218 -3.990 -0.742 1.00 0.00 H new ATOM 240 N TYR A 16 -10.975 -3.157 2.162 1.00 0.00 N ATOM 241 CA TYR A 16 -9.749 -3.765 1.652 1.00 0.00 C ATOM 242 C TYR A 16 -8.965 -4.414 2.783 1.00 0.00 C ATOM 243 O TYR A 16 -8.123 -5.271 2.547 1.00 0.00 O ATOM 244 CB TYR A 16 -8.867 -2.736 0.939 1.00 0.00 C ATOM 245 CG TYR A 16 -9.580 -1.942 -0.130 1.00 0.00 C ATOM 246 CD1 TYR A 16 -10.313 -2.571 -1.128 1.00 0.00 C ATOM 247 CD2 TYR A 16 -9.520 -0.556 -0.136 1.00 0.00 C ATOM 248 CE1 TYR A 16 -10.969 -1.839 -2.100 1.00 0.00 C ATOM 249 CE2 TYR A 16 -10.172 0.183 -1.102 1.00 0.00 C ATOM 250 CZ TYR A 16 -10.894 -0.461 -2.083 1.00 0.00 C ATOM 251 OH TYR A 16 -11.548 0.275 -3.045 1.00 0.00 O ATOM 0 H TYR A 16 -10.932 -2.146 2.288 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.039 -4.528 0.929 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.463 -2.046 1.679 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.019 -3.252 0.488 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.371 -3.649 -1.145 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.953 -0.046 0.629 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.537 -2.343 -2.868 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -10.117 1.261 -1.089 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.393 1.230 -2.888 1.00 0.00 H new ATOM 261 N ARG A 17 -9.238 -3.997 4.012 1.00 0.00 N ATOM 262 CA ARG A 17 -8.696 -4.676 5.180 1.00 0.00 C ATOM 263 C ARG A 17 -9.301 -6.069 5.254 1.00 0.00 C ATOM 264 O ARG A 17 -8.674 -7.002 5.731 1.00 0.00 O ATOM 265 CB ARG A 17 -9.005 -3.870 6.457 1.00 0.00 C ATOM 266 CG ARG A 17 -8.457 -4.468 7.753 1.00 0.00 C ATOM 267 CD ARG A 17 -9.357 -5.561 8.311 1.00 0.00 C ATOM 268 NE ARG A 17 -10.748 -5.124 8.418 1.00 0.00 N ATOM 269 CZ ARG A 17 -11.575 -5.489 9.398 1.00 0.00 C ATOM 270 NH1 ARG A 17 -11.146 -6.250 10.398 1.00 0.00 N ATOM 271 NH2 ARG A 17 -12.836 -5.083 9.386 1.00 0.00 N ATOM 0 H ARG A 17 -9.830 -3.194 4.225 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.612 -4.758 5.097 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.600 -2.865 6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.086 -3.769 6.551 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.463 -4.877 7.570 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.345 -3.678 8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.302 -6.440 7.668 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.995 -5.862 9.294 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.109 -4.500 7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.175 -6.561 10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.787 -6.523 11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.174 -4.491 8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.469 -5.362 10.136 1.00 0.00 H new ATOM 285 N GLN A 18 -10.517 -6.185 4.740 1.00 0.00 N ATOM 286 CA GLN A 18 -11.281 -7.426 4.754 1.00 0.00 C ATOM 287 C GLN A 18 -10.850 -8.384 3.648 1.00 0.00 C ATOM 288 O GLN A 18 -11.236 -9.548 3.634 1.00 0.00 O ATOM 289 CB GLN A 18 -12.754 -7.104 4.574 1.00 0.00 C ATOM 290 CG GLN A 18 -13.558 -7.125 5.861 1.00 0.00 C ATOM 291 CD GLN A 18 -13.432 -8.440 6.599 1.00 0.00 C ATOM 292 OE1 GLN A 18 -12.561 -8.607 7.452 1.00 0.00 O ATOM 293 NE2 GLN A 18 -14.295 -9.387 6.268 1.00 0.00 N ATOM 0 H GLN A 18 -11.008 -5.410 4.295 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.098 -7.915 5.711 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.846 -6.118 4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.188 -7.820 3.876 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.223 -6.315 6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -14.608 -6.938 5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.002 -9.206 5.555 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.253 -10.298 6.726 1.00 0.00 H new ATOM 302 N LEU A 19 -10.077 -7.874 2.719 1.00 0.00 N ATOM 303 CA LEU A 19 -9.711 -8.606 1.504 1.00 0.00 C ATOM 304 C LEU A 19 -8.432 -8.055 0.932 1.00 0.00 C ATOM 305 O LEU A 19 -8.309 -7.989 -0.284 1.00 0.00 O ATOM 306 CB LEU A 19 -10.778 -8.328 0.461 1.00 0.00 C ATOM 307 CG LEU A 19 -11.025 -9.431 -0.569 1.00 0.00 C ATOM 308 CD1 LEU A 19 -11.444 -10.722 0.110 1.00 0.00 C ATOM 309 CD2 LEU A 19 -12.075 -8.992 -1.579 1.00 0.00 C ATOM 0 H LEU A 19 -9.677 -6.937 2.774 1.00 0.00 H new ATOM 0 HA LEU A 19 -9.607 -9.664 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.716 -8.126 0.977 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.506 -7.417 -0.072 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.091 -9.616 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.614 -11.491 -0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.657 -11.048 0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.363 -10.556 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.238 -9.789 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.010 -8.776 -1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.731 -8.096 -2.096 1.00 0.00 H new ATOM 321 N PHE A 20 -7.442 -7.717 1.736 1.00 0.00 N ATOM 322 CA PHE A 20 -6.708 -8.585 2.689 1.00 0.00 C ATOM 323 C PHE A 20 -7.467 -9.681 3.466 1.00 0.00 C ATOM 324 O PHE A 20 -7.432 -10.836 3.050 1.00 0.00 O ATOM 325 CB PHE A 20 -5.986 -7.672 3.684 1.00 0.00 C ATOM 326 CG PHE A 20 -4.761 -8.282 4.295 1.00 0.00 C ATOM 327 CD1 PHE A 20 -3.691 -8.648 3.497 1.00 0.00 C ATOM 328 CD2 PHE A 20 -4.674 -8.482 5.664 1.00 0.00 C ATOM 329 CE1 PHE A 20 -2.557 -9.206 4.051 1.00 0.00 C ATOM 330 CE2 PHE A 20 -3.541 -9.038 6.223 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.483 -9.399 5.414 1.00 0.00 C ATOM 0 H PHE A 20 -7.089 -6.760 1.755 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.059 -9.179 2.045 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.705 -6.749 3.176 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.679 -7.400 4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.744 -8.495 2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.501 -8.200 6.299 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.729 -9.491 3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.483 -9.190 7.291 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.595 -9.834 5.849 1.00 0.00 H new ATOM 341 N ASN A 21 -8.156 -9.331 4.546 1.00 0.00 N ATOM 342 CA ASN A 21 -8.432 -10.270 5.662 1.00 0.00 C ATOM 343 C ASN A 21 -8.943 -11.653 5.241 1.00 0.00 C ATOM 344 O ASN A 21 -8.452 -12.663 5.743 1.00 0.00 O ATOM 345 CB ASN A 21 -9.444 -9.650 6.627 1.00 0.00 C ATOM 346 CG ASN A 21 -9.730 -10.524 7.829 1.00 0.00 C ATOM 347 OD1 ASN A 21 -10.641 -11.353 7.808 1.00 0.00 O ATOM 348 ND2 ASN A 21 -8.957 -10.345 8.885 1.00 0.00 N ATOM 0 H ASN A 21 -8.543 -8.398 4.686 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.464 -10.433 6.135 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.068 -8.685 6.968 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -10.375 -9.459 6.094 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.104 -10.905 9.725 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.213 -9.647 8.860 1.00 0.00 H new ATOM 355 N SER A 22 -9.901 -11.715 4.330 1.00 0.00 N ATOM 356 CA SER A 22 -10.472 -12.991 3.911 1.00 0.00 C ATOM 357 C SER A 22 -9.409 -13.920 3.311 1.00 0.00 C ATOM 358 O SER A 22 -9.556 -15.140 3.334 1.00 0.00 O ATOM 359 CB SER A 22 -11.597 -12.750 2.913 1.00 0.00 C ATOM 360 OG SER A 22 -12.579 -11.876 3.453 1.00 0.00 O ATOM 0 H SER A 22 -10.301 -10.900 3.866 1.00 0.00 H new ATOM 0 HA SER A 22 -10.874 -13.488 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.190 -12.323 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.059 -13.700 2.644 1.00 0.00 H new ATOM 0 HG SER A 22 -12.199 -10.978 3.551 1.00 0.00 H new ATOM 366 N HIS A 23 -8.334 -13.338 2.791 1.00 0.00 N ATOM 367 CA HIS A 23 -7.232 -14.117 2.230 1.00 0.00 C ATOM 368 C HIS A 23 -6.160 -14.360 3.284 1.00 0.00 C ATOM 369 O HIS A 23 -5.311 -15.234 3.131 1.00 0.00 O ATOM 370 CB HIS A 23 -6.613 -13.404 1.022 1.00 0.00 C ATOM 371 CG HIS A 23 -7.454 -13.465 -0.215 1.00 0.00 C ATOM 372 ND1 HIS A 23 -7.227 -14.359 -1.236 1.00 0.00 N ATOM 373 CD2 HIS A 23 -8.528 -12.734 -0.590 1.00 0.00 C ATOM 374 CE1 HIS A 23 -8.124 -14.176 -2.184 1.00 0.00 C ATOM 375 NE2 HIS A 23 -8.926 -13.195 -1.818 1.00 0.00 N ATOM 0 H HIS A 23 -8.201 -12.328 2.745 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.636 -15.074 1.901 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -6.438 -12.359 1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.640 -13.847 0.810 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -8.987 -11.935 -0.027 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -8.191 -14.735 -3.106 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.713 -12.838 -2.360 1.00 0.00 H new ATOM 384 N ASP A 24 -6.221 -13.598 4.369 1.00 0.00 N ATOM 385 CA ASP A 24 -5.212 -13.682 5.420 1.00 0.00 C ATOM 386 C ASP A 24 -5.603 -14.713 6.468 1.00 0.00 C ATOM 387 O ASP A 24 -4.850 -14.999 7.397 1.00 0.00 O ATOM 388 CB ASP A 24 -4.999 -12.314 6.069 1.00 0.00 C ATOM 389 CG ASP A 24 -3.909 -12.325 7.129 1.00 0.00 C ATOM 390 OD1 ASP A 24 -2.740 -12.616 6.793 1.00 0.00 O ATOM 391 OD2 ASP A 24 -4.222 -12.059 8.312 1.00 0.00 O ATOM 0 H ASP A 24 -6.958 -12.915 4.545 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.274 -14.000 4.964 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.742 -11.588 5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.934 -11.982 6.520 1.00 0.00 H new ATOM 396 N LYS A 25 -6.778 -15.289 6.293 1.00 0.00 N ATOM 397 CA LYS A 25 -7.262 -16.337 7.189 1.00 0.00 C ATOM 398 C LYS A 25 -6.260 -17.488 7.253 1.00 0.00 C ATOM 399 O LYS A 25 -6.065 -18.104 8.301 1.00 0.00 O ATOM 400 CB LYS A 25 -8.622 -16.873 6.728 1.00 0.00 C ATOM 401 CG LYS A 25 -9.743 -15.847 6.746 1.00 0.00 C ATOM 402 CD LYS A 25 -11.094 -16.513 6.532 1.00 0.00 C ATOM 403 CE LYS A 25 -12.228 -15.502 6.499 1.00 0.00 C ATOM 404 NZ LYS A 25 -13.562 -16.164 6.541 1.00 0.00 N ATOM 0 H LYS A 25 -7.421 -15.052 5.537 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.376 -15.898 8.180 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.520 -17.263 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.903 -17.711 7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.741 -15.318 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.573 -15.103 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.079 -17.071 5.596 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -11.274 -17.233 7.330 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.133 -14.822 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.150 -14.898 5.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.309 -15.441 6.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.663 -16.794 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.646 -16.720 7.416 1.00 0.00 H new ATOM 418 N THR A 26 -5.624 -17.762 6.124 1.00 0.00 N ATOM 419 CA THR A 26 -4.627 -18.816 6.036 1.00 0.00 C ATOM 420 C THR A 26 -3.264 -18.228 5.646 1.00 0.00 C ATOM 421 O THR A 26 -2.301 -18.952 5.384 1.00 0.00 O ATOM 422 CB THR A 26 -5.066 -19.881 5.009 1.00 0.00 C ATOM 423 OG1 THR A 26 -6.439 -20.234 5.241 1.00 0.00 O ATOM 424 CG2 THR A 26 -4.207 -21.134 5.098 1.00 0.00 C ATOM 0 H THR A 26 -5.784 -17.263 5.249 1.00 0.00 H new ATOM 0 HA THR A 26 -4.533 -19.291 7.012 1.00 0.00 H new ATOM 0 HB THR A 26 -4.946 -19.455 4.013 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.718 -20.909 4.588 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.546 -21.861 4.360 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.166 -20.876 4.902 1.00 0.00 H new ATOM 0 HG23 THR A 26 -4.293 -21.564 6.096 1.00 0.00 H new ATOM 432 N MET A 27 -3.175 -16.906 5.646 1.00 0.00 N ATOM 433 CA MET A 27 -1.960 -16.227 5.214 1.00 0.00 C ATOM 434 C MET A 27 -1.104 -15.867 6.431 1.00 0.00 C ATOM 435 O MET A 27 -1.349 -16.360 7.532 1.00 0.00 O ATOM 436 CB MET A 27 -2.316 -14.982 4.397 1.00 0.00 C ATOM 437 CG MET A 27 -1.214 -14.534 3.448 1.00 0.00 C ATOM 438 SD MET A 27 -0.684 -15.852 2.338 1.00 0.00 S ATOM 439 CE MET A 27 0.552 -15.007 1.352 1.00 0.00 C ATOM 0 H MET A 27 -3.927 -16.283 5.939 1.00 0.00 H new ATOM 0 HA MET A 27 -1.380 -16.893 4.576 1.00 0.00 H new ATOM 0 HB2 MET A 27 -3.219 -15.183 3.821 1.00 0.00 H new ATOM 0 HB3 MET A 27 -2.549 -14.165 5.080 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.567 -13.687 2.859 1.00 0.00 H new ATOM 0 HG3 MET A 27 -0.359 -14.185 4.027 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.174 -15.742 0.840 1.00 0.00 H new ATOM 0 HE2 MET A 27 0.059 -14.373 0.615 1.00 0.00 H new ATOM 0 HE3 MET A 27 1.176 -14.392 2.000 1.00 0.00 H new ATOM 449 N SER A 28 -0.104 -15.013 6.240 1.00 0.00 N ATOM 450 CA SER A 28 0.848 -14.713 7.296 1.00 0.00 C ATOM 451 C SER A 28 1.054 -13.202 7.443 1.00 0.00 C ATOM 452 O SER A 28 2.186 -12.725 7.540 1.00 0.00 O ATOM 453 CB SER A 28 2.178 -15.412 6.989 1.00 0.00 C ATOM 454 OG SER A 28 3.069 -15.363 8.093 1.00 0.00 O ATOM 0 H SER A 28 0.066 -14.519 5.364 1.00 0.00 H new ATOM 0 HA SER A 28 0.453 -15.082 8.243 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.988 -16.451 6.721 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.645 -14.940 6.124 1.00 0.00 H new ATOM 0 HG SER A 28 3.215 -14.430 8.355 1.00 0.00 H new ATOM 460 N GLY A 29 -0.040 -12.447 7.438 1.00 0.00 N ATOM 461 CA GLY A 29 0.038 -11.020 7.716 1.00 0.00 C ATOM 462 C GLY A 29 0.534 -10.201 6.540 1.00 0.00 C ATOM 463 O GLY A 29 0.785 -9.003 6.675 1.00 0.00 O ATOM 0 H GLY A 29 -0.979 -12.795 7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.948 -10.660 8.009 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.701 -10.859 8.566 1.00 0.00 H new ATOM 467 N HIS A 30 0.676 -10.841 5.389 1.00 0.00 N ATOM 468 CA HIS A 30 1.092 -10.159 4.169 1.00 0.00 C ATOM 469 C HIS A 30 0.893 -11.063 2.965 1.00 0.00 C ATOM 470 O HIS A 30 0.995 -12.284 3.072 1.00 0.00 O ATOM 471 CB HIS A 30 2.561 -9.705 4.237 1.00 0.00 C ATOM 472 CG HIS A 30 3.547 -10.790 4.562 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.158 -10.905 5.792 1.00 0.00 N ATOM 474 CD2 HIS A 30 4.045 -11.798 3.804 1.00 0.00 C ATOM 475 CE1 HIS A 30 4.986 -11.930 5.777 1.00 0.00 C ATOM 476 NE2 HIS A 30 4.935 -12.490 4.583 1.00 0.00 N ATOM 0 H HIS A 30 0.508 -11.840 5.273 1.00 0.00 H new ATOM 0 HA HIS A 30 0.469 -9.270 4.067 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.833 -9.263 3.279 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.648 -8.919 4.987 1.00 0.00 H new ATOM 0 HD2 HIS A 30 3.788 -12.015 2.778 1.00 0.00 H new ATOM 0 HE1 HIS A 30 5.602 -12.256 6.602 1.00 0.00 H new ATOM 0 HE2 HIS A 30 5.471 -13.306 4.288 1.00 0.00 H new ATOM 485 N LEU A 31 0.608 -10.453 1.834 1.00 0.00 N ATOM 486 CA LEU A 31 0.481 -11.176 0.579 1.00 0.00 C ATOM 487 C LEU A 31 1.773 -11.040 -0.214 1.00 0.00 C ATOM 488 O LEU A 31 2.591 -10.166 0.079 1.00 0.00 O ATOM 489 CB LEU A 31 -0.699 -10.634 -0.233 1.00 0.00 C ATOM 490 CG LEU A 31 -2.065 -10.748 0.448 1.00 0.00 C ATOM 491 CD1 LEU A 31 -3.135 -10.074 -0.395 1.00 0.00 C ATOM 492 CD2 LEU A 31 -2.425 -12.206 0.691 1.00 0.00 C ATOM 0 H LEU A 31 0.458 -9.447 1.755 1.00 0.00 H new ATOM 0 HA LEU A 31 0.295 -12.229 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.511 -9.585 -0.461 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.739 -11.165 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.010 -10.242 1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.101 -10.164 0.103 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.888 -9.020 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.185 -10.554 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.400 -12.264 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.461 -12.735 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.673 -12.664 1.333 1.00 0.00 H new ATOM 504 N THR A 32 1.966 -11.891 -1.206 1.00 0.00 N ATOM 505 CA THR A 32 3.187 -11.858 -1.995 1.00 0.00 C ATOM 506 C THR A 32 2.965 -11.105 -3.299 1.00 0.00 C ATOM 507 O THR A 32 1.826 -10.789 -3.649 1.00 0.00 O ATOM 508 CB THR A 32 3.688 -13.279 -2.308 1.00 0.00 C ATOM 509 OG1 THR A 32 2.685 -13.999 -3.032 1.00 0.00 O ATOM 510 CG2 THR A 32 4.034 -14.026 -1.029 1.00 0.00 C ATOM 0 H THR A 32 1.298 -12.610 -1.484 1.00 0.00 H new ATOM 0 HA THR A 32 3.942 -11.341 -1.403 1.00 0.00 H new ATOM 0 HB THR A 32 4.589 -13.199 -2.916 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.224 -14.616 -2.426 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.386 -15.028 -1.276 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.817 -13.488 -0.494 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.148 -14.098 -0.399 1.00 0.00 H new ATOM 518 N GLY A 33 4.056 -10.823 -4.003 1.00 0.00 N ATOM 519 CA GLY A 33 3.992 -10.102 -5.262 1.00 0.00 C ATOM 520 C GLY A 33 2.988 -10.684 -6.247 1.00 0.00 C ATOM 521 O GLY A 33 1.995 -10.030 -6.563 1.00 0.00 O ATOM 0 H GLY A 33 4.999 -11.086 -3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.732 -9.062 -5.063 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.980 -10.101 -5.721 1.00 0.00 H new ATOM 525 N PRO A 34 3.214 -11.913 -6.749 1.00 0.00 N ATOM 526 CA PRO A 34 2.323 -12.546 -7.732 1.00 0.00 C ATOM 527 C PRO A 34 0.871 -12.617 -7.260 1.00 0.00 C ATOM 528 O PRO A 34 -0.051 -12.383 -8.044 1.00 0.00 O ATOM 529 CB PRO A 34 2.905 -13.960 -7.906 1.00 0.00 C ATOM 530 CG PRO A 34 3.844 -14.148 -6.760 1.00 0.00 C ATOM 531 CD PRO A 34 4.351 -12.781 -6.410 1.00 0.00 C ATOM 0 HA PRO A 34 2.286 -11.973 -8.659 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.117 -14.713 -7.895 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.425 -14.056 -8.859 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.336 -14.605 -5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.665 -14.810 -7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.616 -12.706 -5.355 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.242 -12.522 -6.982 1.00 0.00 H new ATOM 539 N GLN A 35 0.669 -12.918 -5.980 1.00 0.00 N ATOM 540 CA GLN A 35 -0.676 -13.039 -5.423 1.00 0.00 C ATOM 541 C GLN A 35 -1.363 -11.678 -5.355 1.00 0.00 C ATOM 542 O GLN A 35 -2.540 -11.550 -5.689 1.00 0.00 O ATOM 543 CB GLN A 35 -0.624 -13.685 -4.037 1.00 0.00 C ATOM 544 CG GLN A 35 -0.123 -15.120 -4.065 1.00 0.00 C ATOM 545 CD GLN A 35 -0.113 -15.773 -2.696 1.00 0.00 C ATOM 546 OE1 GLN A 35 0.877 -15.695 -1.962 1.00 0.00 O ATOM 547 NE2 GLN A 35 -1.205 -16.432 -2.352 1.00 0.00 N ATOM 0 H GLN A 35 1.419 -13.083 -5.309 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.261 -13.680 -6.083 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.024 -13.093 -3.391 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.620 -13.663 -3.595 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.752 -15.705 -4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.886 -15.138 -4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -2.000 -16.470 -2.990 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.253 -16.902 -1.448 1.00 0.00 H new ATOM 556 N ALA A 36 -0.620 -10.664 -4.930 1.00 0.00 N ATOM 557 CA ALA A 36 -1.130 -9.298 -4.900 1.00 0.00 C ATOM 558 C ALA A 36 -1.463 -8.822 -6.309 1.00 0.00 C ATOM 559 O ALA A 36 -2.531 -8.262 -6.553 1.00 0.00 O ATOM 560 CB ALA A 36 -0.111 -8.375 -4.262 1.00 0.00 C ATOM 0 H ALA A 36 0.340 -10.762 -4.600 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.043 -9.281 -4.305 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.502 -7.358 -4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.090 -8.704 -3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.813 -8.399 -4.839 1.00 0.00 H new ATOM 566 N ARG A 37 -0.548 -9.087 -7.237 1.00 0.00 N ATOM 567 CA ARG A 37 -0.719 -8.715 -8.636 1.00 0.00 C ATOM 568 C ARG A 37 -1.938 -9.410 -9.240 1.00 0.00 C ATOM 569 O ARG A 37 -2.579 -8.879 -10.145 1.00 0.00 O ATOM 570 CB ARG A 37 0.543 -9.063 -9.426 1.00 0.00 C ATOM 571 CG ARG A 37 1.750 -8.214 -9.050 1.00 0.00 C ATOM 572 CD ARG A 37 2.990 -8.634 -9.822 1.00 0.00 C ATOM 573 NE ARG A 37 4.188 -7.907 -9.394 1.00 0.00 N ATOM 574 CZ ARG A 37 5.286 -7.761 -10.143 1.00 0.00 C ATOM 575 NH1 ARG A 37 5.333 -8.274 -11.368 1.00 0.00 N ATOM 576 NH2 ARG A 37 6.335 -7.107 -9.661 1.00 0.00 N ATOM 0 H ARG A 37 0.331 -9.565 -7.040 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.885 -7.639 -8.691 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.784 -10.114 -9.265 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.341 -8.941 -10.490 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.534 -7.164 -9.250 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.939 -8.302 -7.980 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.151 -9.704 -9.690 1.00 0.00 H new ATOM 0 HD3 ARG A 37 2.827 -8.465 -10.886 1.00 0.00 H new ATOM 0 HE ARG A 37 4.184 -7.485 -8.465 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.530 -8.781 -11.740 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.172 -8.161 -11.937 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.304 -6.716 -8.719 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.173 -6.995 -10.232 1.00 0.00 H new ATOM 590 N THR A 38 -2.250 -10.596 -8.732 1.00 0.00 N ATOM 591 CA THR A 38 -3.417 -11.346 -9.178 1.00 0.00 C ATOM 592 C THR A 38 -4.700 -10.560 -8.899 1.00 0.00 C ATOM 593 O THR A 38 -5.593 -10.488 -9.745 1.00 0.00 O ATOM 594 CB THR A 38 -3.488 -12.725 -8.483 1.00 0.00 C ATOM 595 OG1 THR A 38 -2.336 -13.509 -8.827 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.749 -13.478 -8.878 1.00 0.00 C ATOM 0 H THR A 38 -1.706 -11.062 -8.005 1.00 0.00 H new ATOM 0 HA THR A 38 -3.321 -11.502 -10.253 1.00 0.00 H new ATOM 0 HB THR A 38 -3.510 -12.556 -7.406 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.559 -13.188 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.769 -14.444 -8.373 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.625 -12.898 -8.588 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.757 -13.633 -9.957 1.00 0.00 H new ATOM 604 N ILE A 39 -4.773 -9.960 -7.718 1.00 0.00 N ATOM 605 CA ILE A 39 -5.923 -9.146 -7.345 1.00 0.00 C ATOM 606 C ILE A 39 -5.891 -7.822 -8.103 1.00 0.00 C ATOM 607 O ILE A 39 -6.916 -7.338 -8.584 1.00 0.00 O ATOM 608 CB ILE A 39 -5.955 -8.878 -5.823 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.943 -10.206 -5.059 1.00 0.00 C ATOM 610 CG2 ILE A 39 -7.185 -8.056 -5.452 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.893 -10.050 -3.552 1.00 0.00 C ATOM 0 H ILE A 39 -4.049 -10.022 -7.002 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.825 -9.697 -7.610 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.069 -8.307 -5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.834 -10.775 -5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.082 -10.791 -5.382 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.192 -7.876 -4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.158 -7.102 -5.979 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.086 -8.601 -5.735 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.887 -11.035 -3.084 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.989 -9.510 -3.272 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.767 -9.493 -3.215 1.00 0.00 H new ATOM 623 N LEU A 40 -4.695 -7.262 -8.230 1.00 0.00 N ATOM 624 CA LEU A 40 -4.486 -6.021 -8.967 1.00 0.00 C ATOM 625 C LEU A 40 -4.945 -6.157 -10.418 1.00 0.00 C ATOM 626 O LEU A 40 -5.487 -5.218 -10.999 1.00 0.00 O ATOM 627 CB LEU A 40 -3.005 -5.635 -8.934 1.00 0.00 C ATOM 628 CG LEU A 40 -2.447 -5.289 -7.552 1.00 0.00 C ATOM 629 CD1 LEU A 40 -0.971 -4.935 -7.645 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.229 -4.147 -6.922 1.00 0.00 C ATOM 0 H LEU A 40 -3.844 -7.653 -7.826 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.079 -5.242 -8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.423 -6.459 -9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.855 -4.779 -9.592 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.553 -6.167 -6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.592 -4.692 -6.652 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.418 -5.784 -8.047 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.844 -4.075 -8.303 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.813 -3.919 -5.940 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.161 -3.265 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.274 -4.437 -6.815 1.00 0.00 H new ATOM 642 N MET A 41 -4.731 -7.337 -10.989 1.00 0.00 N ATOM 643 CA MET A 41 -5.081 -7.604 -12.384 1.00 0.00 C ATOM 644 C MET A 41 -6.592 -7.527 -12.610 1.00 0.00 C ATOM 645 O MET A 41 -7.052 -7.292 -13.729 1.00 0.00 O ATOM 646 CB MET A 41 -4.570 -8.991 -12.799 1.00 0.00 C ATOM 647 CG MET A 41 -4.859 -9.345 -14.251 1.00 0.00 C ATOM 648 SD MET A 41 -4.457 -11.058 -14.645 1.00 0.00 S ATOM 649 CE MET A 41 -4.888 -11.102 -16.383 1.00 0.00 C ATOM 0 H MET A 41 -4.313 -8.132 -10.505 1.00 0.00 H new ATOM 0 HA MET A 41 -4.606 -6.837 -12.996 1.00 0.00 H new ATOM 0 HB2 MET A 41 -3.494 -9.036 -12.631 1.00 0.00 H new ATOM 0 HB3 MET A 41 -5.025 -9.743 -12.154 1.00 0.00 H new ATOM 0 HG2 MET A 41 -5.914 -9.166 -14.461 1.00 0.00 H new ATOM 0 HG3 MET A 41 -4.288 -8.683 -14.902 1.00 0.00 H new ATOM 0 HE1 MET A 41 -4.697 -12.099 -16.780 1.00 0.00 H new ATOM 0 HE2 MET A 41 -5.944 -10.860 -16.502 1.00 0.00 H new ATOM 0 HE3 MET A 41 -4.286 -10.374 -16.926 1.00 0.00 H new ATOM 659 N GLN A 42 -7.363 -7.690 -11.541 1.00 0.00 N ATOM 660 CA GLN A 42 -8.818 -7.767 -11.653 1.00 0.00 C ATOM 661 C GLN A 42 -9.437 -6.390 -11.888 1.00 0.00 C ATOM 662 O GLN A 42 -10.658 -6.251 -11.947 1.00 0.00 O ATOM 663 CB GLN A 42 -9.413 -8.410 -10.397 1.00 0.00 C ATOM 664 CG GLN A 42 -8.762 -9.738 -10.036 1.00 0.00 C ATOM 665 CD GLN A 42 -8.769 -10.733 -11.184 1.00 0.00 C ATOM 666 OE1 GLN A 42 -9.689 -10.759 -11.997 1.00 0.00 O ATOM 667 NE2 GLN A 42 -7.722 -11.538 -11.268 1.00 0.00 N ATOM 0 H GLN A 42 -7.008 -7.771 -10.588 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.053 -8.388 -12.517 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.307 -7.721 -9.559 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.481 -8.566 -10.548 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.733 -9.559 -9.724 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.283 -10.172 -9.183 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.979 -11.483 -10.571 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.658 -12.213 -12.030 1.00 0.00 H new ATOM 676 N SER A 43 -8.588 -5.381 -12.023 1.00 0.00 N ATOM 677 CA SER A 43 -9.042 -4.037 -12.341 1.00 0.00 C ATOM 678 C SER A 43 -8.997 -3.806 -13.850 1.00 0.00 C ATOM 679 O SER A 43 -9.522 -2.812 -14.356 1.00 0.00 O ATOM 680 CB SER A 43 -8.156 -3.017 -11.636 1.00 0.00 C ATOM 681 OG SER A 43 -6.800 -3.182 -12.020 1.00 0.00 O ATOM 0 H SER A 43 -7.577 -5.470 -11.917 1.00 0.00 H new ATOM 0 HA SER A 43 -10.071 -3.921 -11.999 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.488 -2.008 -11.880 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.250 -3.131 -10.556 1.00 0.00 H new ATOM 0 HG SER A 43 -6.340 -3.744 -11.362 1.00 0.00 H new ATOM 687 N SER A 44 -8.346 -4.737 -14.553 1.00 0.00 N ATOM 688 CA SER A 44 -8.177 -4.668 -16.004 1.00 0.00 C ATOM 689 C SER A 44 -7.348 -3.449 -16.413 1.00 0.00 C ATOM 690 O SER A 44 -7.439 -2.972 -17.544 1.00 0.00 O ATOM 691 CB SER A 44 -9.542 -4.658 -16.697 1.00 0.00 C ATOM 692 OG SER A 44 -10.304 -5.793 -16.315 1.00 0.00 O ATOM 0 H SER A 44 -7.921 -5.561 -14.129 1.00 0.00 H new ATOM 0 HA SER A 44 -7.631 -5.556 -16.323 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.081 -3.747 -16.437 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.407 -4.651 -17.779 1.00 0.00 H new ATOM 0 HG SER A 44 -11.174 -5.770 -16.766 1.00 0.00 H new ATOM 698 N LEU A 45 -6.533 -2.959 -15.491 1.00 0.00 N ATOM 699 CA LEU A 45 -5.630 -1.855 -15.778 1.00 0.00 C ATOM 700 C LEU A 45 -4.361 -2.375 -16.444 1.00 0.00 C ATOM 701 O LEU A 45 -3.955 -3.518 -16.215 1.00 0.00 O ATOM 702 CB LEU A 45 -5.278 -1.098 -14.493 1.00 0.00 C ATOM 703 CG LEU A 45 -6.463 -0.453 -13.770 1.00 0.00 C ATOM 704 CD1 LEU A 45 -6.002 0.197 -12.475 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.149 0.568 -14.668 1.00 0.00 C ATOM 0 H LEU A 45 -6.479 -3.310 -14.535 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.131 -1.167 -16.458 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.787 -1.788 -13.807 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.554 -0.320 -14.736 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.185 -1.232 -13.528 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.856 0.651 -11.972 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.559 -0.559 -11.826 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.261 0.965 -12.697 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.989 1.015 -14.136 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -6.438 1.347 -14.943 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -7.512 0.074 -15.569 1.00 0.00 H new ATOM 717 N PRO A 46 -3.743 -1.552 -17.300 1.00 0.00 N ATOM 718 CA PRO A 46 -2.491 -1.900 -17.975 1.00 0.00 C ATOM 719 C PRO A 46 -1.363 -2.152 -16.982 1.00 0.00 C ATOM 720 O PRO A 46 -1.305 -1.511 -15.927 1.00 0.00 O ATOM 721 CB PRO A 46 -2.171 -0.664 -18.827 1.00 0.00 C ATOM 722 CG PRO A 46 -3.448 0.098 -18.922 1.00 0.00 C ATOM 723 CD PRO A 46 -4.221 -0.214 -17.672 1.00 0.00 C ATOM 0 HA PRO A 46 -2.589 -2.816 -18.557 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.388 -0.062 -18.366 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.811 -0.951 -19.815 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.257 1.168 -19.004 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.010 -0.194 -19.809 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.025 0.515 -16.886 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.296 -0.207 -17.852 1.00 0.00 H new ATOM 731 N GLN A 47 -0.460 -3.069 -17.325 1.00 0.00 N ATOM 732 CA GLN A 47 0.656 -3.413 -16.451 1.00 0.00 C ATOM 733 C GLN A 47 1.512 -2.189 -16.154 1.00 0.00 C ATOM 734 O GLN A 47 2.045 -2.058 -15.056 1.00 0.00 O ATOM 735 CB GLN A 47 1.523 -4.515 -17.067 1.00 0.00 C ATOM 736 CG GLN A 47 2.719 -4.885 -16.200 1.00 0.00 C ATOM 737 CD GLN A 47 3.594 -5.954 -16.820 1.00 0.00 C ATOM 738 OE1 GLN A 47 3.382 -7.147 -16.603 1.00 0.00 O ATOM 739 NE2 GLN A 47 4.587 -5.537 -17.585 1.00 0.00 N ATOM 0 H GLN A 47 -0.481 -3.587 -18.204 1.00 0.00 H new ATOM 0 HA GLN A 47 0.235 -3.784 -15.516 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.911 -5.402 -17.230 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.877 -4.187 -18.044 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.319 -3.993 -16.019 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.363 -5.232 -15.230 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.728 -4.539 -17.739 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.213 -6.214 -18.022 1.00 0.00 H new ATOM 748 N ALA A 48 1.625 -1.292 -17.130 1.00 0.00 N ATOM 749 CA ALA A 48 2.379 -0.056 -16.954 1.00 0.00 C ATOM 750 C ALA A 48 1.868 0.732 -15.752 1.00 0.00 C ATOM 751 O ALA A 48 2.651 1.186 -14.919 1.00 0.00 O ATOM 752 CB ALA A 48 2.304 0.793 -18.215 1.00 0.00 C ATOM 0 H ALA A 48 1.203 -1.399 -18.052 1.00 0.00 H new ATOM 0 HA ALA A 48 3.420 -0.318 -16.768 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.871 1.712 -18.069 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.724 0.237 -19.053 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.263 1.039 -18.427 1.00 0.00 H new ATOM 758 N GLN A 49 0.550 0.875 -15.661 1.00 0.00 N ATOM 759 CA GLN A 49 -0.067 1.581 -14.549 1.00 0.00 C ATOM 760 C GLN A 49 -0.007 0.738 -13.282 1.00 0.00 C ATOM 761 O GLN A 49 0.194 1.265 -12.190 1.00 0.00 O ATOM 762 CB GLN A 49 -1.518 1.937 -14.879 1.00 0.00 C ATOM 763 CG GLN A 49 -1.661 2.835 -16.100 1.00 0.00 C ATOM 764 CD GLN A 49 -3.066 3.377 -16.275 1.00 0.00 C ATOM 765 OE1 GLN A 49 -3.900 2.776 -16.948 1.00 0.00 O ATOM 766 NE2 GLN A 49 -3.336 4.525 -15.673 1.00 0.00 N ATOM 0 H GLN A 49 -0.111 0.510 -16.347 1.00 0.00 H new ATOM 0 HA GLN A 49 0.488 2.504 -14.379 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.080 1.018 -15.046 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.967 2.433 -14.018 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.964 3.669 -16.015 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.380 2.274 -16.992 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.616 4.994 -15.123 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.264 4.940 -15.760 1.00 0.00 H new ATOM 775 N LEU A 50 -0.167 -0.573 -13.434 1.00 0.00 N ATOM 776 CA LEU A 50 -0.109 -1.491 -12.307 1.00 0.00 C ATOM 777 C LEU A 50 1.261 -1.446 -11.634 1.00 0.00 C ATOM 778 O LEU A 50 1.358 -1.395 -10.409 1.00 0.00 O ATOM 779 CB LEU A 50 -0.427 -2.913 -12.769 1.00 0.00 C ATOM 780 CG LEU A 50 -1.875 -3.156 -13.200 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.063 -4.602 -13.639 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.833 -2.811 -12.070 1.00 0.00 C ATOM 0 H LEU A 50 -0.339 -1.023 -14.333 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.855 -1.181 -11.576 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.229 -3.161 -13.604 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.187 -3.602 -11.959 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.097 -2.507 -14.047 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.098 -4.758 -13.942 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.402 -4.816 -14.479 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.823 -5.268 -12.810 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.858 -2.990 -12.395 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.613 -3.434 -11.203 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.716 -1.761 -11.801 1.00 0.00 H new ATOM 794 N ALA A 51 2.316 -1.453 -12.442 1.00 0.00 N ATOM 795 CA ALA A 51 3.678 -1.368 -11.929 1.00 0.00 C ATOM 796 C ALA A 51 3.915 -0.017 -11.264 1.00 0.00 C ATOM 797 O ALA A 51 4.592 0.074 -10.242 1.00 0.00 O ATOM 798 CB ALA A 51 4.681 -1.594 -13.048 1.00 0.00 C ATOM 0 H ALA A 51 2.253 -1.517 -13.458 1.00 0.00 H new ATOM 0 HA ALA A 51 3.814 -2.148 -11.180 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.693 -1.527 -12.649 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.526 -2.582 -13.481 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.544 -0.835 -13.818 1.00 0.00 H new ATOM 804 N SER A 52 3.341 1.026 -11.850 1.00 0.00 N ATOM 805 CA SER A 52 3.424 2.359 -11.285 1.00 0.00 C ATOM 806 C SER A 52 2.748 2.411 -9.917 1.00 0.00 C ATOM 807 O SER A 52 3.338 2.878 -8.945 1.00 0.00 O ATOM 808 CB SER A 52 2.784 3.366 -12.244 1.00 0.00 C ATOM 809 OG SER A 52 3.609 3.580 -13.377 1.00 0.00 O ATOM 0 H SER A 52 2.812 0.970 -12.720 1.00 0.00 H new ATOM 0 HA SER A 52 4.474 2.619 -11.148 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.808 3.000 -12.564 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.617 4.311 -11.727 1.00 0.00 H new ATOM 0 HG SER A 52 3.471 2.856 -14.023 1.00 0.00 H new ATOM 815 N ILE A 53 1.524 1.899 -9.842 1.00 0.00 N ATOM 816 CA ILE A 53 0.786 1.852 -8.583 1.00 0.00 C ATOM 817 C ILE A 53 1.521 0.993 -7.560 1.00 0.00 C ATOM 818 O ILE A 53 1.621 1.359 -6.389 1.00 0.00 O ATOM 819 CB ILE A 53 -0.643 1.304 -8.798 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.447 2.273 -9.670 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.340 1.073 -7.463 1.00 0.00 C ATOM 822 CD1 ILE A 53 -2.821 1.763 -10.050 1.00 0.00 C ATOM 0 H ILE A 53 1.021 1.510 -10.639 1.00 0.00 H new ATOM 0 HA ILE A 53 0.714 2.871 -8.203 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.577 0.344 -9.310 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.556 3.219 -9.139 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.883 2.481 -10.579 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.344 0.687 -7.639 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.772 0.351 -6.876 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.403 2.015 -6.918 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.327 2.506 -10.667 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.722 0.833 -10.610 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.405 1.583 -9.147 1.00 0.00 H new ATOM 834 N TRP A 54 2.045 -0.137 -8.018 1.00 0.00 N ATOM 835 CA TRP A 54 2.826 -1.024 -7.170 1.00 0.00 C ATOM 836 C TRP A 54 3.994 -0.272 -6.544 1.00 0.00 C ATOM 837 O TRP A 54 4.149 -0.255 -5.330 1.00 0.00 O ATOM 838 CB TRP A 54 3.350 -2.209 -7.985 1.00 0.00 C ATOM 839 CG TRP A 54 4.203 -3.156 -7.192 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.557 -3.093 -7.014 1.00 0.00 C ATOM 841 CD2 TRP A 54 3.757 -4.306 -6.467 1.00 0.00 C ATOM 842 NE1 TRP A 54 5.977 -4.131 -6.221 1.00 0.00 N ATOM 843 CE2 TRP A 54 4.892 -4.889 -5.872 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.509 -4.899 -6.264 1.00 0.00 C ATOM 845 CZ2 TRP A 54 4.811 -6.032 -5.082 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.432 -6.032 -5.482 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.576 -6.589 -4.901 1.00 0.00 C ATOM 0 H TRP A 54 1.941 -0.461 -8.980 1.00 0.00 H new ATOM 0 HA TRP A 54 2.180 -1.396 -6.374 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.503 -2.756 -8.399 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.929 -1.831 -8.828 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.202 -2.337 -7.436 1.00 0.00 H new ATOM 0 HE1 TRP A 54 6.941 -4.309 -5.938 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.621 -4.478 -6.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 5.691 -6.463 -4.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.472 -6.497 -5.315 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.481 -7.479 -4.296 1.00 0.00 H new ATOM 858 N ASN A 55 4.794 0.366 -7.388 1.00 0.00 N ATOM 859 CA ASN A 55 5.998 1.057 -6.937 1.00 0.00 C ATOM 860 C ASN A 55 5.653 2.259 -6.059 1.00 0.00 C ATOM 861 O ASN A 55 6.418 2.632 -5.169 1.00 0.00 O ATOM 862 CB ASN A 55 6.832 1.503 -8.146 1.00 0.00 C ATOM 863 CG ASN A 55 8.208 2.015 -7.759 1.00 0.00 C ATOM 864 OD1 ASN A 55 8.421 3.220 -7.622 1.00 0.00 O ATOM 865 ND2 ASN A 55 9.148 1.101 -7.564 1.00 0.00 N ATOM 0 H ASN A 55 4.631 0.420 -8.393 1.00 0.00 H new ATOM 0 HA ASN A 55 6.583 0.361 -6.335 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.942 0.665 -8.834 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.296 2.286 -8.682 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.088 1.387 -7.290 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.931 0.112 -7.688 1.00 0.00 H new ATOM 872 N LEU A 56 4.502 2.867 -6.318 1.00 0.00 N ATOM 873 CA LEU A 56 4.031 3.994 -5.519 1.00 0.00 C ATOM 874 C LEU A 56 3.547 3.541 -4.144 1.00 0.00 C ATOM 875 O LEU A 56 3.597 4.304 -3.181 1.00 0.00 O ATOM 876 CB LEU A 56 2.909 4.740 -6.247 1.00 0.00 C ATOM 877 CG LEU A 56 3.349 5.563 -7.460 1.00 0.00 C ATOM 878 CD1 LEU A 56 2.147 6.208 -8.134 1.00 0.00 C ATOM 879 CD2 LEU A 56 4.366 6.621 -7.054 1.00 0.00 C ATOM 0 H LEU A 56 3.875 2.599 -7.077 1.00 0.00 H new ATOM 0 HA LEU A 56 4.875 4.669 -5.377 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.164 4.014 -6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.417 5.405 -5.537 1.00 0.00 H new ATOM 0 HG LEU A 56 3.824 4.890 -8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.480 6.789 -8.994 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.456 5.433 -8.465 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.642 6.865 -7.426 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.665 7.194 -7.932 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.921 7.290 -6.318 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.242 6.137 -6.621 1.00 0.00 H new ATOM 891 N SER A 57 3.072 2.306 -4.065 1.00 0.00 N ATOM 892 CA SER A 57 2.517 1.780 -2.827 1.00 0.00 C ATOM 893 C SER A 57 3.575 1.030 -2.022 1.00 0.00 C ATOM 894 O SER A 57 3.802 1.339 -0.856 1.00 0.00 O ATOM 895 CB SER A 57 1.337 0.854 -3.137 1.00 0.00 C ATOM 896 OG SER A 57 0.704 0.398 -1.954 1.00 0.00 O ATOM 0 H SER A 57 3.060 1.649 -4.845 1.00 0.00 H new ATOM 0 HA SER A 57 2.169 2.620 -2.226 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.613 1.383 -3.757 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.687 -0.001 -3.715 1.00 0.00 H new ATOM 0 HG SER A 57 0.603 -0.576 -1.991 1.00 0.00 H new ATOM 902 N ASP A 58 4.218 0.053 -2.655 1.00 0.00 N ATOM 903 CA ASP A 58 5.193 -0.802 -1.983 1.00 0.00 C ATOM 904 C ASP A 58 6.380 0.021 -1.502 1.00 0.00 C ATOM 905 O ASP A 58 7.099 0.625 -2.305 1.00 0.00 O ATOM 906 CB ASP A 58 5.669 -1.907 -2.932 1.00 0.00 C ATOM 907 CG ASP A 58 6.645 -2.872 -2.287 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.778 -2.454 -1.954 1.00 0.00 O ATOM 909 OD2 ASP A 58 6.301 -4.064 -2.131 1.00 0.00 O ATOM 0 H ASP A 58 4.080 -0.168 -3.641 1.00 0.00 H new ATOM 0 HA ASP A 58 4.714 -1.261 -1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 58 4.804 -2.463 -3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.141 -1.451 -3.802 1.00 0.00 H new ATOM 914 N ILE A 59 6.575 0.047 -0.191 1.00 0.00 N ATOM 915 CA ILE A 59 7.633 0.843 0.419 1.00 0.00 C ATOM 916 C ILE A 59 9.029 0.286 0.113 1.00 0.00 C ATOM 917 O ILE A 59 9.812 0.914 -0.604 1.00 0.00 O ATOM 918 CB ILE A 59 7.444 0.939 1.951 1.00 0.00 C ATOM 919 CG1 ILE A 59 6.077 1.549 2.285 1.00 0.00 C ATOM 920 CG2 ILE A 59 8.557 1.764 2.580 1.00 0.00 C ATOM 921 CD1 ILE A 59 5.874 2.949 1.737 1.00 0.00 C ATOM 0 H ILE A 59 6.010 -0.478 0.476 1.00 0.00 H new ATOM 0 HA ILE A 59 7.560 1.838 -0.019 1.00 0.00 H new ATOM 0 HB ILE A 59 7.487 -0.069 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 59 5.295 0.899 1.892 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.956 1.573 3.368 1.00 0.00 H new ATOM 0 HG21 ILE A 59 8.405 1.819 3.658 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.519 1.295 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.546 2.770 2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 59 4.884 3.309 2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.632 3.615 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.960 2.931 0.651 1.00 0.00 H new ATOM 933 N ASP A 60 9.340 -0.888 0.654 1.00 0.00 N ATOM 934 CA ASP A 60 10.689 -1.452 0.532 1.00 0.00 C ATOM 935 C ASP A 60 10.652 -2.961 0.330 1.00 0.00 C ATOM 936 O ASP A 60 11.663 -3.650 0.496 1.00 0.00 O ATOM 937 CB ASP A 60 11.512 -1.136 1.786 1.00 0.00 C ATOM 938 CG ASP A 60 10.927 -1.750 3.049 1.00 0.00 C ATOM 939 OD1 ASP A 60 11.213 -2.935 3.338 1.00 0.00 O ATOM 940 OD2 ASP A 60 10.189 -1.046 3.767 1.00 0.00 O ATOM 0 H ASP A 60 8.685 -1.467 1.179 1.00 0.00 H new ATOM 0 HA ASP A 60 11.152 -0.996 -0.343 1.00 0.00 H new ATOM 0 HB2 ASP A 60 12.530 -1.502 1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.576 -0.055 1.910 1.00 0.00 H new ATOM 945 N GLN A 61 9.502 -3.467 -0.064 1.00 0.00 N ATOM 946 CA GLN A 61 9.286 -4.901 -0.121 1.00 0.00 C ATOM 947 C GLN A 61 9.536 -5.428 -1.530 1.00 0.00 C ATOM 948 O GLN A 61 10.157 -6.478 -1.706 1.00 0.00 O ATOM 949 CB GLN A 61 7.869 -5.220 0.359 1.00 0.00 C ATOM 950 CG GLN A 61 7.573 -4.619 1.724 1.00 0.00 C ATOM 951 CD GLN A 61 6.177 -4.918 2.221 1.00 0.00 C ATOM 952 OE1 GLN A 61 5.948 -5.932 2.881 1.00 0.00 O ATOM 953 NE2 GLN A 61 5.242 -4.030 1.933 1.00 0.00 N ATOM 0 H GLN A 61 8.699 -2.906 -0.351 1.00 0.00 H new ATOM 0 HA GLN A 61 9.995 -5.402 0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.148 -4.842 -0.366 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.738 -6.301 0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.297 -4.999 2.445 1.00 0.00 H new ATOM 0 HG3 GLN A 61 7.710 -3.539 1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.476 -3.203 1.383 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.286 -4.171 2.261 1.00 0.00 H new ATOM 962 N ASP A 62 9.046 -4.683 -2.513 1.00 0.00 N ATOM 963 CA ASP A 62 9.219 -4.997 -3.933 1.00 0.00 C ATOM 964 C ASP A 62 8.677 -6.388 -4.246 1.00 0.00 C ATOM 965 O ASP A 62 9.063 -7.018 -5.228 1.00 0.00 O ATOM 966 CB ASP A 62 10.696 -4.877 -4.343 1.00 0.00 C ATOM 967 CG ASP A 62 10.888 -4.831 -5.853 1.00 0.00 C ATOM 968 OD1 ASP A 62 10.474 -3.829 -6.480 1.00 0.00 O ATOM 969 OD2 ASP A 62 11.478 -5.781 -6.420 1.00 0.00 O ATOM 0 H ASP A 62 8.509 -3.831 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 62 8.649 -4.273 -4.515 1.00 0.00 H new ATOM 0 HB2 ASP A 62 11.119 -3.975 -3.900 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.251 -5.723 -3.936 1.00 0.00 H new ATOM 974 N GLY A 63 7.758 -6.863 -3.413 1.00 0.00 N ATOM 975 CA GLY A 63 7.186 -8.176 -3.638 1.00 0.00 C ATOM 976 C GLY A 63 6.317 -8.676 -2.499 1.00 0.00 C ATOM 977 O GLY A 63 6.113 -9.883 -2.366 1.00 0.00 O ATOM 0 H GLY A 63 7.402 -6.369 -2.595 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.591 -8.150 -4.551 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.994 -8.889 -3.805 1.00 0.00 H new ATOM 981 N LYS A 64 5.800 -7.766 -1.679 1.00 0.00 N ATOM 982 CA LYS A 64 4.899 -8.136 -0.591 1.00 0.00 C ATOM 983 C LYS A 64 3.917 -7.006 -0.330 1.00 0.00 C ATOM 984 O LYS A 64 4.315 -5.851 -0.240 1.00 0.00 O ATOM 985 CB LYS A 64 5.656 -8.426 0.714 1.00 0.00 C ATOM 986 CG LYS A 64 6.718 -9.515 0.624 1.00 0.00 C ATOM 987 CD LYS A 64 7.373 -9.766 1.980 1.00 0.00 C ATOM 988 CE LYS A 64 8.101 -8.531 2.499 1.00 0.00 C ATOM 989 NZ LYS A 64 9.349 -8.248 1.739 1.00 0.00 N ATOM 0 H LYS A 64 5.989 -6.766 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 64 4.379 -9.043 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.132 -7.505 1.051 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.933 -8.709 1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.266 -10.438 0.260 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.478 -9.225 -0.101 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.612 -10.068 2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.078 -10.593 1.895 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.437 -7.668 2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.344 -8.671 3.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.808 -7.400 2.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.995 -9.059 1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.117 -8.087 0.738 1.00 0.00 H new ATOM 1003 N LEU A 65 2.647 -7.337 -0.205 1.00 0.00 N ATOM 1004 CA LEU A 65 1.640 -6.345 0.143 1.00 0.00 C ATOM 1005 C LEU A 65 0.975 -6.711 1.458 1.00 0.00 C ATOM 1006 O LEU A 65 0.319 -7.749 1.565 1.00 0.00 O ATOM 1007 CB LEU A 65 0.578 -6.196 -0.955 1.00 0.00 C ATOM 1008 CG LEU A 65 1.039 -5.501 -2.242 1.00 0.00 C ATOM 1009 CD1 LEU A 65 -0.163 -5.071 -3.070 1.00 0.00 C ATOM 1010 CD2 LEU A 65 1.917 -4.298 -1.932 1.00 0.00 C ATOM 0 H LEU A 65 2.285 -8.281 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 65 2.149 -5.387 0.246 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.208 -7.188 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.264 -5.639 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 65 1.630 -6.215 -2.816 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.180 -4.579 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.756 -5.947 -3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.774 -4.378 -2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.229 -3.825 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.355 -3.582 -1.332 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.797 -4.623 -1.378 1.00 0.00 H new ATOM 1022 N THR A 66 1.168 -5.874 2.461 1.00 0.00 N ATOM 1023 CA THR A 66 0.537 -6.075 3.752 1.00 0.00 C ATOM 1024 C THR A 66 -0.832 -5.404 3.760 1.00 0.00 C ATOM 1025 O THR A 66 -1.322 -4.980 2.711 1.00 0.00 O ATOM 1026 CB THR A 66 1.402 -5.499 4.891 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.510 -4.079 4.751 1.00 0.00 O ATOM 1028 CG2 THR A 66 2.795 -6.109 4.888 1.00 0.00 C ATOM 0 H THR A 66 1.760 -5.045 2.405 1.00 0.00 H new ATOM 0 HA THR A 66 0.427 -7.147 3.916 1.00 0.00 H new ATOM 0 HB THR A 66 0.917 -5.744 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.391 -3.654 5.626 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.381 -5.683 5.702 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.720 -7.188 5.021 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.284 -5.894 3.938 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.449 -5.300 4.929 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.751 -4.662 5.035 1.00 0.00 C ATOM 1038 C ALA A 67 -2.649 -3.182 4.695 1.00 0.00 C ATOM 1039 O ALA A 67 -3.518 -2.631 4.025 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.334 -4.860 6.427 1.00 0.00 C ATOM 0 H ALA A 67 -1.071 -5.647 5.811 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.424 -5.131 4.317 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.308 -4.375 6.486 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.446 -5.926 6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.665 -4.421 7.167 1.00 0.00 H new ATOM 1046 N GLU A 68 -1.563 -2.559 5.136 1.00 0.00 N ATOM 1047 CA GLU A 68 -1.330 -1.144 4.884 1.00 0.00 C ATOM 1048 C GLU A 68 -1.140 -0.896 3.391 1.00 0.00 C ATOM 1049 O GLU A 68 -1.714 0.035 2.823 1.00 0.00 O ATOM 1050 CB GLU A 68 -0.087 -0.650 5.643 1.00 0.00 C ATOM 1051 CG GLU A 68 -0.176 -0.764 7.162 1.00 0.00 C ATOM 1052 CD GLU A 68 -0.153 -2.198 7.667 1.00 0.00 C ATOM 1053 OE1 GLU A 68 0.437 -3.068 6.991 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -0.736 -2.463 8.739 1.00 0.00 O ATOM 0 H GLU A 68 -0.826 -3.016 5.673 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.202 -0.593 5.236 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.779 -1.216 5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.090 0.393 5.381 1.00 0.00 H new ATOM 0 HG2 GLU A 68 0.655 -0.217 7.608 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.093 -0.283 7.501 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.360 -1.763 2.759 1.00 0.00 N ATOM 1062 CA GLU A 69 0.024 -1.586 1.362 1.00 0.00 C ATOM 1063 C GLU A 69 -1.157 -1.872 0.440 1.00 0.00 C ATOM 1064 O GLU A 69 -1.412 -1.136 -0.513 1.00 0.00 O ATOM 1065 CB GLU A 69 1.184 -2.524 1.017 1.00 0.00 C ATOM 1066 CG GLU A 69 2.355 -2.450 1.986 1.00 0.00 C ATOM 1067 CD GLU A 69 3.175 -1.182 1.845 1.00 0.00 C ATOM 1068 OE1 GLU A 69 2.690 -0.112 2.262 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.316 -1.267 1.327 1.00 0.00 O ATOM 0 H GLU A 69 0.022 -2.602 3.194 1.00 0.00 H new ATOM 0 HA GLU A 69 0.338 -0.552 1.219 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.813 -3.548 0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.541 -2.289 0.014 1.00 0.00 H new ATOM 0 HG2 GLU A 69 1.977 -2.518 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.003 -3.312 1.828 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.886 -2.940 0.745 1.00 0.00 N ATOM 1077 CA PHE A 70 -3.001 -3.380 -0.087 1.00 0.00 C ATOM 1078 C PHE A 70 -4.069 -2.291 -0.191 1.00 0.00 C ATOM 1079 O PHE A 70 -4.571 -2.005 -1.280 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.609 -4.663 0.484 1.00 0.00 C ATOM 1081 CG PHE A 70 -4.667 -5.273 -0.393 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -4.327 -6.191 -1.374 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -5.998 -4.928 -0.237 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -5.297 -6.756 -2.180 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -6.971 -5.485 -1.042 1.00 0.00 C ATOM 1086 CZ PHE A 70 -6.620 -6.401 -2.017 1.00 0.00 C ATOM 0 H PHE A 70 -1.723 -3.521 1.568 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.621 -3.581 -1.089 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.814 -5.393 0.641 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.040 -4.446 1.461 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.292 -6.468 -1.510 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.279 -4.215 0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.020 -7.475 -2.937 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -8.006 -5.206 -0.911 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.380 -6.837 -2.649 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.403 -1.681 0.941 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.421 -0.634 0.974 1.00 0.00 C ATOM 1098 C ILE A 71 -4.995 0.562 0.124 1.00 0.00 C ATOM 1099 O ILE A 71 -5.806 1.144 -0.602 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.710 -0.170 2.420 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.224 -1.345 3.256 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.720 0.975 2.428 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.474 -1.005 4.709 1.00 0.00 C ATOM 0 H ILE A 71 -3.985 -1.892 1.847 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.336 -1.059 0.561 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.782 0.194 2.860 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.150 -1.713 2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.501 -2.159 3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.909 1.286 3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -6.321 1.816 1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.652 0.641 1.973 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.836 -1.890 5.233 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.545 -0.666 5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.221 -0.214 4.774 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.714 0.907 0.205 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.170 2.012 -0.573 1.00 0.00 C ATOM 1117 C LEU A 72 -3.243 1.702 -2.065 1.00 0.00 C ATOM 1118 O LEU A 72 -3.800 2.480 -2.847 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.719 2.286 -0.161 1.00 0.00 C ATOM 1120 CG LEU A 72 -1.042 3.449 -0.894 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.854 4.726 -0.741 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.369 3.655 -0.372 1.00 0.00 C ATOM 0 H LEU A 72 -3.034 0.437 0.802 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.767 2.902 -0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.694 2.488 0.910 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.134 1.382 -0.328 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.989 3.201 -1.954 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.356 5.539 -1.269 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.849 4.577 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.940 4.978 0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.836 4.485 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.333 3.880 0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.952 2.748 -0.532 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.702 0.552 -2.444 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.663 0.134 -3.840 1.00 0.00 C ATOM 1136 C ALA A 73 -4.062 0.047 -4.444 1.00 0.00 C ATOM 1137 O ALA A 73 -4.332 0.636 -5.490 1.00 0.00 O ATOM 1138 CB ALA A 73 -1.944 -1.200 -3.968 1.00 0.00 C ATOM 0 H ALA A 73 -2.280 -0.114 -1.797 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.113 0.891 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.921 -1.502 -5.015 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.924 -1.101 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.471 -1.955 -3.384 1.00 0.00 H new ATOM 1144 N MET A 74 -4.960 -0.661 -3.771 1.00 0.00 N ATOM 1145 CA MET A 74 -6.301 -0.894 -4.302 1.00 0.00 C ATOM 1146 C MET A 74 -7.108 0.395 -4.397 1.00 0.00 C ATOM 1147 O MET A 74 -7.989 0.522 -5.249 1.00 0.00 O ATOM 1148 CB MET A 74 -7.049 -1.925 -3.459 1.00 0.00 C ATOM 1149 CG MET A 74 -6.492 -3.332 -3.600 1.00 0.00 C ATOM 1150 SD MET A 74 -6.567 -3.943 -5.296 1.00 0.00 S ATOM 1151 CE MET A 74 -8.336 -3.964 -5.577 1.00 0.00 C ATOM 0 H MET A 74 -4.787 -1.084 -2.859 1.00 0.00 H new ATOM 0 HA MET A 74 -6.181 -1.285 -5.312 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.006 -1.628 -2.411 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.100 -1.927 -3.747 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.457 -3.345 -3.259 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.050 -4.006 -2.950 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.560 -4.587 -6.443 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.839 -4.369 -4.699 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.687 -2.949 -5.761 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.805 1.358 -3.537 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.471 2.648 -3.602 1.00 0.00 C ATOM 1163 C HIS A 75 -6.998 3.414 -4.836 1.00 0.00 C ATOM 1164 O HIS A 75 -7.764 4.150 -5.452 1.00 0.00 O ATOM 1165 CB HIS A 75 -7.226 3.465 -2.332 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.941 4.784 -2.319 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -9.303 4.904 -2.145 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -7.474 6.046 -2.466 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -9.639 6.179 -2.183 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -8.548 6.895 -2.379 1.00 0.00 N ATOM 0 H HIS A 75 -6.110 1.271 -2.795 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.545 2.477 -3.680 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.543 2.881 -1.468 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.156 3.640 -2.224 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.444 6.332 -2.623 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.639 6.571 -2.072 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.510 7.912 -2.453 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.730 3.230 -5.187 1.00 0.00 N ATOM 1180 CA LEU A 76 -5.184 3.820 -6.403 1.00 0.00 C ATOM 1181 C LEU A 76 -5.795 3.143 -7.625 1.00 0.00 C ATOM 1182 O LEU A 76 -6.043 3.786 -8.643 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.658 3.691 -6.430 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.928 4.399 -5.289 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.431 4.157 -5.392 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -3.233 5.891 -5.306 1.00 0.00 C ATOM 0 H LEU A 76 -5.063 2.678 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.435 4.881 -6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.398 2.633 -6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.292 4.088 -7.377 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.280 3.989 -4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.923 4.667 -4.573 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.230 3.087 -5.333 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.065 4.543 -6.343 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.705 6.380 -4.487 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.907 6.318 -6.254 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.306 6.044 -5.189 1.00 0.00 H new ATOM 1198 N ILE A 77 -6.044 1.839 -7.505 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.718 1.080 -8.556 1.00 0.00 C ATOM 1200 C ILE A 77 -8.087 1.688 -8.860 1.00 0.00 C ATOM 1201 O ILE A 77 -8.464 1.828 -10.021 1.00 0.00 O ATOM 1202 CB ILE A 77 -6.870 -0.423 -8.175 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.716 -1.252 -8.752 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.203 -0.999 -8.639 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -4.361 -0.905 -8.186 1.00 0.00 C ATOM 0 H ILE A 77 -5.788 1.286 -6.687 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.097 1.135 -9.450 1.00 0.00 H new ATOM 0 HB ILE A 77 -6.841 -0.477 -7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.915 -2.308 -8.568 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.691 -1.116 -9.833 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.265 -2.049 -8.352 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.020 -0.447 -8.174 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.278 -0.914 -9.723 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.602 -1.537 -8.647 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.137 0.141 -8.393 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.364 -1.069 -7.108 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.813 2.062 -7.812 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.132 2.681 -7.962 1.00 0.00 C ATOM 1219 C ASP A 78 -10.032 3.975 -8.764 1.00 0.00 C ATOM 1220 O ASP A 78 -10.780 4.190 -9.720 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.741 2.964 -6.585 1.00 0.00 C ATOM 1222 CG ASP A 78 -12.103 3.629 -6.664 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -13.113 2.911 -6.825 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -12.174 4.869 -6.528 1.00 0.00 O ATOM 0 H ASP A 78 -8.512 1.948 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.777 1.988 -8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.831 2.028 -6.034 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.063 3.603 -6.018 1.00 0.00 H new ATOM 1229 N VAL A 79 -9.084 4.817 -8.381 1.00 0.00 N ATOM 1230 CA VAL A 79 -8.868 6.095 -9.047 1.00 0.00 C ATOM 1231 C VAL A 79 -8.464 5.888 -10.508 1.00 0.00 C ATOM 1232 O VAL A 79 -9.008 6.524 -11.414 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.783 6.923 -8.319 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -7.597 8.279 -8.982 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -8.144 7.091 -6.849 1.00 0.00 C ATOM 0 H VAL A 79 -8.446 4.637 -7.606 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.809 6.644 -9.016 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.839 6.383 -8.387 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.829 8.841 -8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.292 8.138 -10.019 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.537 8.831 -8.952 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.372 7.676 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -9.100 7.607 -6.766 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.219 6.111 -6.378 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.525 4.975 -10.736 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.049 4.684 -12.084 1.00 0.00 C ATOM 1247 C ALA A 80 -8.156 4.063 -12.936 1.00 0.00 C ATOM 1248 O ALA A 80 -8.248 4.329 -14.135 1.00 0.00 O ATOM 1249 CB ALA A 80 -5.834 3.770 -12.033 1.00 0.00 C ATOM 0 H ALA A 80 -7.078 4.423 -10.004 1.00 0.00 H new ATOM 0 HA ALA A 80 -6.756 5.625 -12.550 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.492 3.563 -13.047 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.036 4.257 -11.473 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.103 2.834 -11.543 1.00 0.00 H new ATOM 1255 N MET A 81 -9.001 3.246 -12.307 1.00 0.00 N ATOM 1256 CA MET A 81 -10.131 2.620 -12.977 1.00 0.00 C ATOM 1257 C MET A 81 -11.143 3.667 -13.441 1.00 0.00 C ATOM 1258 O MET A 81 -11.955 3.415 -14.332 1.00 0.00 O ATOM 1259 CB MET A 81 -10.789 1.644 -12.014 1.00 0.00 C ATOM 1260 CG MET A 81 -11.163 0.322 -12.641 1.00 0.00 C ATOM 1261 SD MET A 81 -12.651 0.405 -13.657 1.00 0.00 S ATOM 1262 CE MET A 81 -12.766 -1.292 -14.218 1.00 0.00 C ATOM 0 H MET A 81 -8.918 3.002 -11.320 1.00 0.00 H new ATOM 0 HA MET A 81 -9.775 2.090 -13.861 1.00 0.00 H new ATOM 0 HB2 MET A 81 -10.112 1.460 -11.180 1.00 0.00 H new ATOM 0 HB3 MET A 81 -11.686 2.106 -11.601 1.00 0.00 H new ATOM 0 HG2 MET A 81 -10.333 -0.028 -13.254 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.311 -0.416 -11.853 1.00 0.00 H new ATOM 0 HE1 MET A 81 -13.640 -1.405 -14.860 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.868 -1.552 -14.778 1.00 0.00 H new ATOM 0 HE3 MET A 81 -12.861 -1.954 -13.357 1.00 0.00 H new ATOM 1272 N SER A 82 -11.084 4.844 -12.836 1.00 0.00 N ATOM 1273 CA SER A 82 -11.955 5.945 -13.218 1.00 0.00 C ATOM 1274 C SER A 82 -11.318 6.742 -14.358 1.00 0.00 C ATOM 1275 O SER A 82 -11.827 7.789 -14.762 1.00 0.00 O ATOM 1276 CB SER A 82 -12.214 6.849 -12.006 1.00 0.00 C ATOM 1277 OG SER A 82 -13.287 7.750 -12.242 1.00 0.00 O ATOM 0 H SER A 82 -10.440 5.061 -12.076 1.00 0.00 H new ATOM 0 HA SER A 82 -12.909 5.547 -13.565 1.00 0.00 H new ATOM 0 HB2 SER A 82 -12.440 6.234 -11.135 1.00 0.00 H new ATOM 0 HB3 SER A 82 -11.311 7.412 -11.772 1.00 0.00 H new ATOM 0 HG SER A 82 -13.229 8.095 -13.157 1.00 0.00 H new ATOM 1283 N GLY A 83 -10.190 6.244 -14.865 1.00 0.00 N ATOM 1284 CA GLY A 83 -9.514 6.887 -15.977 1.00 0.00 C ATOM 1285 C GLY A 83 -8.818 8.166 -15.565 1.00 0.00 C ATOM 1286 O GLY A 83 -8.635 9.069 -16.380 1.00 0.00 O ATOM 0 H GLY A 83 -9.732 5.400 -14.521 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.783 6.199 -16.402 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.238 7.107 -16.761 1.00 0.00 H new ATOM 1290 N GLN A 84 -8.436 8.251 -14.298 1.00 0.00 N ATOM 1291 CA GLN A 84 -7.787 9.439 -13.779 1.00 0.00 C ATOM 1292 C GLN A 84 -6.272 9.335 -13.938 1.00 0.00 C ATOM 1293 O GLN A 84 -5.702 8.249 -13.818 1.00 0.00 O ATOM 1294 CB GLN A 84 -8.151 9.630 -12.305 1.00 0.00 C ATOM 1295 CG GLN A 84 -9.649 9.726 -12.046 1.00 0.00 C ATOM 1296 CD GLN A 84 -10.305 10.868 -12.799 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -10.381 11.993 -12.305 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -10.803 10.581 -13.990 1.00 0.00 N ATOM 0 H GLN A 84 -8.566 7.507 -13.612 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.134 10.303 -14.346 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -7.746 8.797 -11.730 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -7.670 10.536 -11.937 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.123 8.788 -12.333 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -9.821 9.856 -10.977 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -10.719 9.636 -14.364 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.271 11.305 -14.535 1.00 0.00 H new ATOM 1307 N PRO A 85 -5.606 10.464 -14.226 1.00 0.00 N ATOM 1308 CA PRO A 85 -4.150 10.518 -14.356 1.00 0.00 C ATOM 1309 C PRO A 85 -3.456 10.413 -13.004 1.00 0.00 C ATOM 1310 O PRO A 85 -3.888 11.024 -12.023 1.00 0.00 O ATOM 1311 CB PRO A 85 -3.881 11.895 -14.982 1.00 0.00 C ATOM 1312 CG PRO A 85 -5.218 12.429 -15.380 1.00 0.00 C ATOM 1313 CD PRO A 85 -6.215 11.775 -14.470 1.00 0.00 C ATOM 0 HA PRO A 85 -3.768 9.690 -14.952 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.391 12.559 -14.270 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.221 11.810 -15.845 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.250 13.514 -15.278 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.434 12.200 -16.424 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.352 12.337 -13.546 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.195 11.687 -14.938 1.00 0.00 H new ATOM 1321 N LEU A 86 -2.377 9.648 -12.959 1.00 0.00 N ATOM 1322 CA LEU A 86 -1.632 9.458 -11.725 1.00 0.00 C ATOM 1323 C LEU A 86 -0.516 10.495 -11.615 1.00 0.00 C ATOM 1324 O LEU A 86 0.085 10.879 -12.621 1.00 0.00 O ATOM 1325 CB LEU A 86 -1.042 8.046 -11.665 1.00 0.00 C ATOM 1326 CG LEU A 86 -2.066 6.906 -11.696 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -1.361 5.559 -11.699 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -3.017 7.008 -10.512 1.00 0.00 C ATOM 0 H LEU A 86 -1.997 9.148 -13.763 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.318 9.586 -10.887 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.357 7.920 -12.504 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.450 7.956 -10.754 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.650 6.993 -12.612 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.102 4.760 -11.721 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.722 5.485 -12.579 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.753 5.465 -10.799 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.736 6.190 -10.552 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.450 6.948 -9.583 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.547 7.960 -10.552 1.00 0.00 H new ATOM 1340 N PRO A 87 -0.243 10.969 -10.391 1.00 0.00 N ATOM 1341 CA PRO A 87 0.825 11.933 -10.130 1.00 0.00 C ATOM 1342 C PRO A 87 2.207 11.284 -10.171 1.00 0.00 C ATOM 1343 O PRO A 87 2.343 10.083 -9.925 1.00 0.00 O ATOM 1344 CB PRO A 87 0.527 12.444 -8.712 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.794 11.857 -8.332 1.00 0.00 C ATOM 1346 CD PRO A 87 -0.965 10.621 -9.166 1.00 0.00 C ATOM 0 HA PRO A 87 0.845 12.721 -10.883 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.306 12.136 -8.015 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.491 13.533 -8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.820 11.615 -7.270 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.601 12.565 -8.518 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.542 9.741 -8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.015 10.404 -9.361 1.00 0.00 H new ATOM 1354 N PRO A 88 3.253 12.072 -10.475 1.00 0.00 N ATOM 1355 CA PRO A 88 4.635 11.575 -10.498 1.00 0.00 C ATOM 1356 C PRO A 88 5.081 11.060 -9.131 1.00 0.00 C ATOM 1357 O PRO A 88 5.813 10.074 -9.031 1.00 0.00 O ATOM 1358 CB PRO A 88 5.460 12.801 -10.912 1.00 0.00 C ATOM 1359 CG PRO A 88 4.580 13.978 -10.656 1.00 0.00 C ATOM 1360 CD PRO A 88 3.172 13.495 -10.844 1.00 0.00 C ATOM 0 HA PRO A 88 4.753 10.729 -11.175 1.00 0.00 H new ATOM 0 HB2 PRO A 88 6.382 12.867 -10.334 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.746 12.745 -11.962 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.728 14.363 -9.647 1.00 0.00 H new ATOM 0 HG3 PRO A 88 4.808 14.792 -11.344 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.472 14.037 -10.208 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.835 13.626 -11.872 1.00 0.00 H new ATOM 1368 N VAL A 89 4.635 11.742 -8.083 1.00 0.00 N ATOM 1369 CA VAL A 89 4.903 11.333 -6.714 1.00 0.00 C ATOM 1370 C VAL A 89 3.637 11.460 -5.878 1.00 0.00 C ATOM 1371 O VAL A 89 2.849 12.394 -6.064 1.00 0.00 O ATOM 1372 CB VAL A 89 6.035 12.162 -6.063 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.386 11.800 -6.667 1.00 0.00 C ATOM 1374 CG2 VAL A 89 5.761 13.655 -6.205 1.00 0.00 C ATOM 0 H VAL A 89 4.078 12.593 -8.160 1.00 0.00 H new ATOM 0 HA VAL A 89 5.231 10.294 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 89 6.064 11.922 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 89 8.167 12.395 -6.194 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.586 10.741 -6.502 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.372 12.004 -7.738 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.570 14.219 -5.740 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.698 13.915 -7.262 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.819 13.900 -5.715 1.00 0.00 H new ATOM 1384 N LEU A 90 3.439 10.517 -4.971 1.00 0.00 N ATOM 1385 CA LEU A 90 2.253 10.496 -4.131 1.00 0.00 C ATOM 1386 C LEU A 90 2.448 11.435 -2.940 1.00 0.00 C ATOM 1387 O LEU A 90 3.554 11.538 -2.407 1.00 0.00 O ATOM 1388 CB LEU A 90 2.009 9.057 -3.648 1.00 0.00 C ATOM 1389 CG LEU A 90 0.664 8.794 -2.973 1.00 0.00 C ATOM 1390 CD1 LEU A 90 -0.470 8.892 -3.984 1.00 0.00 C ATOM 1391 CD2 LEU A 90 0.669 7.428 -2.308 1.00 0.00 C ATOM 0 H LEU A 90 4.090 9.751 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 90 1.387 10.835 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.100 8.388 -4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.802 8.791 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 90 0.505 9.553 -2.207 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.420 8.702 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -0.483 9.891 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -0.320 8.154 -4.772 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -0.295 7.252 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 90 0.848 6.658 -3.059 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.458 7.392 -1.557 1.00 0.00 H new ATOM 1403 N PRO A 91 1.391 12.150 -2.514 1.00 0.00 N ATOM 1404 CA PRO A 91 1.459 13.015 -1.335 1.00 0.00 C ATOM 1405 C PRO A 91 1.579 12.207 -0.043 1.00 0.00 C ATOM 1406 O PRO A 91 1.105 11.070 0.033 1.00 0.00 O ATOM 1407 CB PRO A 91 0.125 13.780 -1.360 1.00 0.00 C ATOM 1408 CG PRO A 91 -0.447 13.545 -2.718 1.00 0.00 C ATOM 1409 CD PRO A 91 0.073 12.208 -3.158 1.00 0.00 C ATOM 0 HA PRO A 91 2.333 13.666 -1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.549 13.419 -0.583 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.280 14.844 -1.178 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.537 13.550 -2.689 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.143 14.330 -3.411 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -0.574 11.394 -2.831 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.149 12.139 -4.243 1.00 0.00 H new ATOM 1417 N PRO A 92 2.189 12.797 0.999 1.00 0.00 N ATOM 1418 CA PRO A 92 2.412 12.122 2.285 1.00 0.00 C ATOM 1419 C PRO A 92 1.112 11.771 3.006 1.00 0.00 C ATOM 1420 O PRO A 92 1.097 10.917 3.892 1.00 0.00 O ATOM 1421 CB PRO A 92 3.216 13.142 3.103 1.00 0.00 C ATOM 1422 CG PRO A 92 3.752 14.109 2.105 1.00 0.00 C ATOM 1423 CD PRO A 92 2.740 14.161 1.000 1.00 0.00 C ATOM 0 HA PRO A 92 2.923 11.169 2.147 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.585 13.643 3.837 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.022 12.657 3.654 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.894 15.093 2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 92 4.723 13.786 1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.970 14.908 1.192 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.198 14.413 0.044 1.00 0.00 H new ATOM 1431 N GLU A 93 0.029 12.432 2.621 1.00 0.00 N ATOM 1432 CA GLU A 93 -1.278 12.181 3.215 1.00 0.00 C ATOM 1433 C GLU A 93 -1.816 10.811 2.804 1.00 0.00 C ATOM 1434 O GLU A 93 -2.639 10.221 3.503 1.00 0.00 O ATOM 1435 CB GLU A 93 -2.281 13.273 2.823 1.00 0.00 C ATOM 1436 CG GLU A 93 -1.951 14.658 3.369 1.00 0.00 C ATOM 1437 CD GLU A 93 -0.823 15.339 2.621 1.00 0.00 C ATOM 1438 OE1 GLU A 93 -1.103 15.998 1.597 1.00 0.00 O ATOM 1439 OE2 GLU A 93 0.342 15.224 3.048 1.00 0.00 O ATOM 0 H GLU A 93 0.030 13.150 1.896 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.151 12.195 4.297 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.333 13.328 1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.271 12.983 3.176 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.842 15.284 3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.681 14.572 4.422 1.00 0.00 H new ATOM 1446 N TYR A 94 -1.353 10.310 1.664 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.768 8.996 1.190 1.00 0.00 C ATOM 1448 C TYR A 94 -0.778 7.929 1.624 1.00 0.00 C ATOM 1449 O TYR A 94 -1.074 6.737 1.567 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.924 8.989 -0.331 1.00 0.00 C ATOM 1451 CG TYR A 94 -3.251 9.533 -0.805 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -4.357 8.702 -0.901 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.402 10.870 -1.152 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -5.578 9.185 -1.324 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.623 11.361 -1.578 1.00 0.00 C ATOM 1456 CZ TYR A 94 -5.706 10.512 -1.661 1.00 0.00 C ATOM 1457 OH TYR A 94 -6.928 10.992 -2.069 1.00 0.00 O ATOM 0 H TYR A 94 -0.693 10.792 1.054 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.737 8.770 1.635 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.120 9.578 -0.773 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.808 7.968 -0.695 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.261 7.658 -0.640 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.554 11.535 -1.088 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -6.429 8.524 -1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.727 12.403 -1.844 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.853 11.948 -2.270 1.00 0.00 H new ATOM 1467 N ILE A 95 0.389 8.360 2.063 1.00 0.00 N ATOM 1468 CA ILE A 95 1.393 7.439 2.563 1.00 0.00 C ATOM 1469 C ILE A 95 1.069 7.078 4.009 1.00 0.00 C ATOM 1470 O ILE A 95 0.903 7.968 4.848 1.00 0.00 O ATOM 1471 CB ILE A 95 2.812 8.046 2.473 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.090 8.517 1.042 1.00 0.00 C ATOM 1473 CG2 ILE A 95 3.857 7.026 2.911 1.00 0.00 C ATOM 1474 CD1 ILE A 95 4.435 9.190 0.868 1.00 0.00 C ATOM 0 H ILE A 95 0.666 9.342 2.084 1.00 0.00 H new ATOM 0 HA ILE A 95 1.378 6.542 1.944 1.00 0.00 H new ATOM 0 HB ILE A 95 2.870 8.904 3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.034 7.660 0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.306 9.211 0.740 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.850 7.470 2.841 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.664 6.727 3.941 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.805 6.151 2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.558 9.495 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.489 10.068 1.512 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.228 8.493 1.138 1.00 0.00 H new ATOM 1486 N PRO A 96 0.949 5.775 4.316 1.00 0.00 N ATOM 1487 CA PRO A 96 0.569 5.311 5.653 1.00 0.00 C ATOM 1488 C PRO A 96 1.509 5.826 6.746 1.00 0.00 C ATOM 1489 O PRO A 96 2.687 6.097 6.496 1.00 0.00 O ATOM 1490 CB PRO A 96 0.653 3.777 5.549 1.00 0.00 C ATOM 1491 CG PRO A 96 1.436 3.503 4.309 1.00 0.00 C ATOM 1492 CD PRO A 96 1.167 4.655 3.387 1.00 0.00 C ATOM 0 HA PRO A 96 -0.418 5.676 5.936 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.143 3.351 6.424 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.341 3.333 5.492 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.500 3.420 4.530 1.00 0.00 H new ATOM 0 HG3 PRO A 96 1.131 2.560 3.855 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.007 4.842 2.718 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.294 4.475 2.759 1.00 0.00 H new ATOM 1500 N PRO A 97 0.994 5.958 7.981 1.00 0.00 N ATOM 1501 CA PRO A 97 1.774 6.453 9.120 1.00 0.00 C ATOM 1502 C PRO A 97 2.995 5.584 9.393 1.00 0.00 C ATOM 1503 O PRO A 97 2.944 4.366 9.216 1.00 0.00 O ATOM 1504 CB PRO A 97 0.794 6.381 10.294 1.00 0.00 C ATOM 1505 CG PRO A 97 -0.558 6.360 9.668 1.00 0.00 C ATOM 1506 CD PRO A 97 -0.393 5.644 8.360 1.00 0.00 C ATOM 0 HA PRO A 97 2.163 7.456 8.942 1.00 0.00 H new ATOM 0 HB2 PRO A 97 0.964 5.488 10.896 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.909 7.239 10.957 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -1.276 5.846 10.307 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.934 7.372 9.515 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -0.549 4.570 8.466 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.105 5.998 7.614 1.00 0.00 H new ATOM 1514 N SER A 98 4.090 6.226 9.798 1.00 0.00 N ATOM 1515 CA SER A 98 5.356 5.547 10.101 1.00 0.00 C ATOM 1516 C SER A 98 6.076 5.076 8.827 1.00 0.00 C ATOM 1517 O SER A 98 7.293 4.890 8.827 1.00 0.00 O ATOM 1518 CB SER A 98 5.127 4.384 11.076 1.00 0.00 C ATOM 1519 OG SER A 98 4.510 4.844 12.273 1.00 0.00 O ATOM 0 H SER A 98 4.127 7.237 9.927 1.00 0.00 H new ATOM 0 HA SER A 98 6.011 6.273 10.583 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.500 3.627 10.606 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.079 3.908 11.312 1.00 0.00 H new ATOM 0 HG SER A 98 4.371 4.088 12.881 1.00 0.00 H new ATOM 1525 N PHE A 99 5.333 4.903 7.740 1.00 0.00 N ATOM 1526 CA PHE A 99 5.927 4.542 6.457 1.00 0.00 C ATOM 1527 C PHE A 99 6.168 5.794 5.622 1.00 0.00 C ATOM 1528 O PHE A 99 6.583 5.719 4.469 1.00 0.00 O ATOM 1529 CB PHE A 99 5.024 3.568 5.698 1.00 0.00 C ATOM 1530 CG PHE A 99 4.889 2.228 6.364 1.00 0.00 C ATOM 1531 CD1 PHE A 99 5.869 1.261 6.202 1.00 0.00 C ATOM 1532 CD2 PHE A 99 3.788 1.935 7.152 1.00 0.00 C ATOM 1533 CE1 PHE A 99 5.753 0.029 6.816 1.00 0.00 C ATOM 1534 CE2 PHE A 99 3.668 0.705 7.769 1.00 0.00 C ATOM 1535 CZ PHE A 99 4.651 -0.250 7.600 1.00 0.00 C ATOM 0 H PHE A 99 4.318 5.007 7.721 1.00 0.00 H new ATOM 0 HA PHE A 99 6.882 4.050 6.644 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.034 4.012 5.590 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.421 3.426 4.693 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.733 1.473 5.589 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.015 2.677 7.285 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.524 -0.716 6.683 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.806 0.490 8.383 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.558 -1.213 8.080 1.00 0.00 H new ATOM 1545 N ARG A 100 5.921 6.950 6.230 1.00 0.00 N ATOM 1546 CA ARG A 100 6.089 8.238 5.558 1.00 0.00 C ATOM 1547 C ARG A 100 7.560 8.644 5.475 1.00 0.00 C ATOM 1548 O ARG A 100 7.884 9.751 5.044 1.00 0.00 O ATOM 1549 CB ARG A 100 5.285 9.319 6.284 1.00 0.00 C ATOM 1550 CG ARG A 100 3.791 9.244 6.020 1.00 0.00 C ATOM 1551 CD ARG A 100 3.012 10.228 6.878 1.00 0.00 C ATOM 1552 NE ARG A 100 3.523 11.599 6.774 1.00 0.00 N ATOM 1553 CZ ARG A 100 2.755 12.674 6.598 1.00 0.00 C ATOM 1554 NH1 ARG A 100 1.445 12.537 6.412 1.00 0.00 N ATOM 1555 NH2 ARG A 100 3.303 13.885 6.578 1.00 0.00 N ATOM 0 H ARG A 100 5.601 7.023 7.196 1.00 0.00 H new ATOM 0 HA ARG A 100 5.716 8.132 4.539 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.461 9.233 7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.651 10.299 5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.598 9.449 4.967 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.438 8.232 6.218 1.00 0.00 H new ATOM 0 HD2 ARG A 100 1.963 10.212 6.581 1.00 0.00 H new ATOM 0 HD3 ARG A 100 3.053 9.908 7.919 1.00 0.00 H new ATOM 0 HE ARG A 100 4.531 11.739 6.841 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.026 11.607 6.404 1.00 0.00 H new ATOM 0 HH12 ARG A 100 0.860 13.362 6.278 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.310 13.991 6.697 1.00 0.00 H new ATOM 0 HH22 ARG A 100 2.716 14.708 6.443 1.00 0.00 H new ATOM 1569 N ARG A 101 8.442 7.746 5.889 1.00 0.00 N ATOM 1570 CA ARG A 101 9.873 7.974 5.785 1.00 0.00 C ATOM 1571 C ARG A 101 10.543 6.743 5.191 1.00 0.00 C ATOM 1572 O ARG A 101 10.498 5.658 5.776 1.00 0.00 O ATOM 1573 CB ARG A 101 10.483 8.299 7.151 1.00 0.00 C ATOM 1574 CG ARG A 101 11.951 8.689 7.079 1.00 0.00 C ATOM 1575 CD ARG A 101 12.483 9.117 8.436 1.00 0.00 C ATOM 1576 NE ARG A 101 12.507 8.014 9.400 1.00 0.00 N ATOM 1577 CZ ARG A 101 12.083 8.115 10.658 1.00 0.00 C ATOM 1578 NH1 ARG A 101 11.521 9.240 11.082 1.00 0.00 N ATOM 1579 NH2 ARG A 101 12.208 7.087 11.489 1.00 0.00 N ATOM 0 H ARG A 101 8.188 6.849 6.302 1.00 0.00 H new ATOM 0 HA ARG A 101 10.040 8.831 5.132 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.920 9.113 7.608 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.376 7.433 7.804 1.00 0.00 H new ATOM 0 HG2 ARG A 101 12.534 7.846 6.708 1.00 0.00 H new ATOM 0 HG3 ARG A 101 12.077 9.503 6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 101 13.491 9.515 8.319 1.00 0.00 H new ATOM 0 HD3 ARG A 101 11.864 9.925 8.827 1.00 0.00 H new ATOM 0 HE ARG A 101 12.871 7.114 9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 101 11.413 10.028 10.444 1.00 0.00 H new ATOM 0 HH12 ARG A 101 11.197 9.316 12.046 1.00 0.00 H new ATOM 0 HH21 ARG A 101 12.630 6.217 11.164 1.00 0.00 H new ATOM 0 HH22 ARG A 101 11.882 7.167 12.452 1.00 0.00 H new ATOM 1593 N VAL A 102 11.146 6.915 4.027 1.00 0.00 N ATOM 1594 CA VAL A 102 11.793 5.815 3.326 1.00 0.00 C ATOM 1595 C VAL A 102 13.259 6.145 3.077 1.00 0.00 C ATOM 1596 O VAL A 102 13.600 6.846 2.123 1.00 0.00 O ATOM 1597 CB VAL A 102 11.102 5.503 1.973 1.00 0.00 C ATOM 1598 CG1 VAL A 102 11.706 4.258 1.333 1.00 0.00 C ATOM 1599 CG2 VAL A 102 9.600 5.339 2.156 1.00 0.00 C ATOM 0 H VAL A 102 11.202 7.811 3.544 1.00 0.00 H new ATOM 0 HA VAL A 102 11.710 4.933 3.961 1.00 0.00 H new ATOM 0 HB VAL A 102 11.271 6.347 1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 102 11.207 4.057 0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 102 12.769 4.419 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 102 11.574 3.406 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 102 9.138 5.121 1.193 1.00 0.00 H new ATOM 0 HG22 VAL A 102 9.405 4.518 2.846 1.00 0.00 H new ATOM 0 HG23 VAL A 102 9.180 6.260 2.560 1.00 0.00 H new ATOM 1609 N ARG A 103 14.124 5.672 3.961 1.00 0.00 N ATOM 1610 CA ARG A 103 15.552 5.896 3.816 1.00 0.00 C ATOM 1611 C ARG A 103 16.303 4.571 3.816 1.00 0.00 C ATOM 1612 O ARG A 103 16.763 4.098 4.857 1.00 0.00 O ATOM 1613 CB ARG A 103 16.078 6.816 4.922 1.00 0.00 C ATOM 1614 CG ARG A 103 17.546 7.189 4.762 1.00 0.00 C ATOM 1615 CD ARG A 103 17.811 7.830 3.408 1.00 0.00 C ATOM 1616 NE ARG A 103 17.040 9.058 3.215 1.00 0.00 N ATOM 1617 CZ ARG A 103 16.629 9.501 2.027 1.00 0.00 C ATOM 1618 NH1 ARG A 103 16.897 8.813 0.922 1.00 0.00 N ATOM 1619 NH2 ARG A 103 15.955 10.638 1.942 1.00 0.00 N ATOM 0 H ARG A 103 13.861 5.131 4.785 1.00 0.00 H new ATOM 0 HA ARG A 103 15.723 6.389 2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 103 15.481 7.727 4.939 1.00 0.00 H new ATOM 0 HB3 ARG A 103 15.940 6.326 5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 103 17.837 7.878 5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 103 18.164 6.298 4.871 1.00 0.00 H new ATOM 0 HD2 ARG A 103 18.874 8.053 3.316 1.00 0.00 H new ATOM 0 HD3 ARG A 103 17.564 7.121 2.618 1.00 0.00 H new ATOM 0 HE ARG A 103 16.802 9.609 4.040 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.421 7.940 0.979 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.579 9.158 0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.751 11.174 2.785 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.640 10.978 1.033 1.00 0.00 H new ATOM 1633 N LEU A 104 16.372 3.963 2.640 1.00 0.00 N ATOM 1634 CA LEU A 104 17.108 2.724 2.433 1.00 0.00 C ATOM 1635 C LEU A 104 17.090 2.371 0.952 1.00 0.00 C ATOM 1636 O LEU A 104 16.159 2.736 0.232 1.00 0.00 O ATOM 1637 CB LEU A 104 16.526 1.559 3.259 1.00 0.00 C ATOM 1638 CG LEU A 104 15.169 1.007 2.799 1.00 0.00 C ATOM 1639 CD1 LEU A 104 14.903 -0.335 3.456 1.00 0.00 C ATOM 1640 CD2 LEU A 104 14.038 1.972 3.125 1.00 0.00 C ATOM 0 H LEU A 104 15.917 4.317 1.799 1.00 0.00 H new ATOM 0 HA LEU A 104 18.133 2.880 2.771 1.00 0.00 H new ATOM 0 HB2 LEU A 104 17.247 0.742 3.252 1.00 0.00 H new ATOM 0 HB3 LEU A 104 16.428 1.889 4.293 1.00 0.00 H new ATOM 0 HG LEU A 104 15.209 0.882 1.717 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.938 -0.718 3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 104 15.688 -1.038 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.891 -0.214 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 104 13.091 1.551 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 104 13.998 2.135 4.202 1.00 0.00 H new ATOM 0 HD23 LEU A 104 14.214 2.922 2.621 1.00 0.00 H new ATOM 1652 N GLU A 105 18.127 1.694 0.493 1.00 0.00 N ATOM 1653 CA GLU A 105 18.192 1.262 -0.891 1.00 0.00 C ATOM 1654 C GLU A 105 17.623 -0.140 -1.041 1.00 0.00 C ATOM 1655 O GLU A 105 16.835 -0.404 -1.950 1.00 0.00 O ATOM 1656 CB GLU A 105 19.631 1.297 -1.401 1.00 0.00 C ATOM 1657 CG GLU A 105 20.211 2.696 -1.493 1.00 0.00 C ATOM 1658 CD GLU A 105 21.628 2.694 -2.013 1.00 0.00 C ATOM 1659 OE1 GLU A 105 21.838 2.282 -3.172 1.00 0.00 O ATOM 1660 OE2 GLU A 105 22.542 3.102 -1.265 1.00 0.00 O ATOM 0 H GLU A 105 18.935 1.432 1.058 1.00 0.00 H new ATOM 0 HA GLU A 105 17.593 1.950 -1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.256 0.697 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 105 19.670 0.832 -2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.587 3.304 -2.148 1.00 0.00 H new ATOM 0 HG3 GLU A 105 20.188 3.162 -0.508 1.00 0.00 H new ATOM 1667 N HIS A 106 18.035 -1.036 -0.139 1.00 0.00 N ATOM 1668 CA HIS A 106 17.598 -2.436 -0.161 1.00 0.00 C ATOM 1669 C HIS A 106 18.004 -3.083 -1.488 1.00 0.00 C ATOM 1670 O HIS A 106 17.383 -4.034 -1.963 1.00 0.00 O ATOM 1671 CB HIS A 106 16.076 -2.518 0.056 1.00 0.00 C ATOM 1672 CG HIS A 106 15.588 -3.877 0.461 1.00 0.00 C ATOM 1673 ND1 HIS A 106 15.685 -4.356 1.750 1.00 0.00 N ATOM 1674 CD2 HIS A 106 14.989 -4.857 -0.255 1.00 0.00 C ATOM 1675 CE1 HIS A 106 15.174 -5.571 1.809 1.00 0.00 C ATOM 1676 NE2 HIS A 106 14.746 -5.896 0.604 1.00 0.00 N ATOM 0 H HIS A 106 18.676 -0.814 0.622 1.00 0.00 H new ATOM 0 HA HIS A 106 18.083 -2.981 0.649 1.00 0.00 H new ATOM 0 HB2 HIS A 106 15.790 -1.798 0.822 1.00 0.00 H new ATOM 0 HB3 HIS A 106 15.572 -2.222 -0.864 1.00 0.00 H new ATOM 0 HD2 HIS A 106 14.748 -4.826 -1.307 1.00 0.00 H new ATOM 0 HE1 HIS A 106 15.116 -6.192 2.691 1.00 0.00 H new ATOM 0 HE2 HIS A 106 14.304 -6.780 0.352 1.00 0.00 H new ATOM 1685 N HIS A 107 19.090 -2.578 -2.056 1.00 0.00 N ATOM 1686 CA HIS A 107 19.523 -2.970 -3.388 1.00 0.00 C ATOM 1687 C HIS A 107 20.916 -3.584 -3.314 1.00 0.00 C ATOM 1688 O HIS A 107 21.715 -3.465 -4.243 1.00 0.00 O ATOM 1689 CB HIS A 107 19.530 -1.736 -4.299 1.00 0.00 C ATOM 1690 CG HIS A 107 19.185 -2.023 -5.730 1.00 0.00 C ATOM 1691 ND1 HIS A 107 17.911 -1.876 -6.230 1.00 0.00 N ATOM 1692 CD2 HIS A 107 19.949 -2.431 -6.771 1.00 0.00 C ATOM 1693 CE1 HIS A 107 17.903 -2.182 -7.513 1.00 0.00 C ATOM 1694 NE2 HIS A 107 19.128 -2.520 -7.870 1.00 0.00 N ATOM 0 H HIS A 107 19.693 -1.888 -1.608 1.00 0.00 H new ATOM 0 HA HIS A 107 18.837 -3.712 -3.797 1.00 0.00 H new ATOM 0 HB2 HIS A 107 18.823 -1.005 -3.907 1.00 0.00 H new ATOM 0 HB3 HIS A 107 20.518 -1.276 -4.261 1.00 0.00 H new ATOM 0 HD2 HIS A 107 21.007 -2.646 -6.743 1.00 0.00 H new ATOM 0 HE1 HIS A 107 17.040 -2.160 -8.162 1.00 0.00 H new ATOM 0 HE2 HIS A 107 19.418 -2.801 -8.807 1.00 0.00 H new ATOM 1703 N HIS A 108 21.192 -4.263 -2.199 1.00 0.00 N ATOM 1704 CA HIS A 108 22.517 -4.841 -1.951 1.00 0.00 C ATOM 1705 C HIS A 108 22.880 -5.923 -2.967 1.00 0.00 C ATOM 1706 O HIS A 108 24.043 -6.303 -3.079 1.00 0.00 O ATOM 1707 CB HIS A 108 22.646 -5.375 -0.512 1.00 0.00 C ATOM 1708 CG HIS A 108 21.554 -6.308 -0.064 1.00 0.00 C ATOM 1709 ND1 HIS A 108 21.684 -7.680 -0.048 1.00 0.00 N ATOM 1710 CD2 HIS A 108 20.322 -6.047 0.435 1.00 0.00 C ATOM 1711 CE1 HIS A 108 20.581 -8.219 0.436 1.00 0.00 C ATOM 1712 NE2 HIS A 108 19.735 -7.252 0.743 1.00 0.00 N ATOM 0 H HIS A 108 20.517 -4.427 -1.452 1.00 0.00 H new ATOM 0 HA HIS A 108 23.233 -4.028 -2.074 1.00 0.00 H new ATOM 0 HB2 HIS A 108 23.601 -5.892 -0.420 1.00 0.00 H new ATOM 0 HB3 HIS A 108 22.676 -4.525 0.170 1.00 0.00 H new ATOM 0 HD2 HIS A 108 19.881 -5.070 0.567 1.00 0.00 H new ATOM 0 HE1 HIS A 108 20.400 -9.276 0.561 1.00 0.00 H new ATOM 0 HE2 HIS A 108 18.804 -7.378 1.141 1.00 0.00 H new ATOM 1721 N HIS A 109 21.894 -6.415 -3.704 1.00 0.00 N ATOM 1722 CA HIS A 109 22.171 -7.285 -4.837 1.00 0.00 C ATOM 1723 C HIS A 109 22.062 -6.459 -6.110 1.00 0.00 C ATOM 1724 O HIS A 109 20.975 -6.005 -6.470 1.00 0.00 O ATOM 1725 CB HIS A 109 21.217 -8.483 -4.886 1.00 0.00 C ATOM 1726 CG HIS A 109 21.646 -9.541 -5.863 1.00 0.00 C ATOM 1727 ND1 HIS A 109 20.770 -10.403 -6.482 1.00 0.00 N ATOM 1728 CD2 HIS A 109 22.881 -9.883 -6.310 1.00 0.00 C ATOM 1729 CE1 HIS A 109 21.445 -11.227 -7.263 1.00 0.00 C ATOM 1730 NE2 HIS A 109 22.726 -10.932 -7.177 1.00 0.00 N ATOM 0 H HIS A 109 20.905 -6.229 -3.540 1.00 0.00 H new ATOM 0 HA HIS A 109 23.177 -7.693 -4.735 1.00 0.00 H new ATOM 0 HB2 HIS A 109 21.146 -8.923 -3.891 1.00 0.00 H new ATOM 0 HB3 HIS A 109 20.219 -8.134 -5.153 1.00 0.00 H new ATOM 0 HD2 HIS A 109 23.814 -9.414 -6.033 1.00 0.00 H new ATOM 0 HE1 HIS A 109 21.018 -12.011 -7.870 1.00 0.00 H new ATOM 0 HE2 HIS A 109 23.479 -11.407 -7.675 1.00 0.00 H new ATOM 1739 N HIS A 110 23.194 -6.255 -6.769 1.00 0.00 N ATOM 1740 CA HIS A 110 23.277 -5.326 -7.891 1.00 0.00 C ATOM 1741 C HIS A 110 22.351 -5.719 -9.039 1.00 0.00 C ATOM 1742 O HIS A 110 22.550 -6.736 -9.699 1.00 0.00 O ATOM 1743 CB HIS A 110 24.717 -5.224 -8.399 1.00 0.00 C ATOM 1744 CG HIS A 110 24.904 -4.165 -9.447 1.00 0.00 C ATOM 1745 ND1 HIS A 110 24.951 -4.433 -10.800 1.00 0.00 N ATOM 1746 CD2 HIS A 110 25.036 -2.821 -9.330 1.00 0.00 C ATOM 1747 CE1 HIS A 110 25.105 -3.300 -11.464 1.00 0.00 C ATOM 1748 NE2 HIS A 110 25.158 -2.307 -10.595 1.00 0.00 N ATOM 0 H HIS A 110 24.073 -6.722 -6.546 1.00 0.00 H new ATOM 0 HA HIS A 110 22.951 -4.354 -7.521 1.00 0.00 H new ATOM 0 HB2 HIS A 110 25.377 -5.013 -7.558 1.00 0.00 H new ATOM 0 HB3 HIS A 110 25.020 -6.188 -8.808 1.00 0.00 H new ATOM 0 HD2 HIS A 110 25.044 -2.258 -8.408 1.00 0.00 H new ATOM 0 HE1 HIS A 110 25.176 -3.203 -12.537 1.00 0.00 H new ATOM 0 HE2 HIS A 110 25.271 -1.320 -10.827 1.00 0.00 H new ATOM 1757 N HIS A 111 21.335 -4.903 -9.250 1.00 0.00 N ATOM 1758 CA HIS A 111 20.454 -5.028 -10.401 1.00 0.00 C ATOM 1759 C HIS A 111 20.315 -3.675 -11.076 1.00 0.00 C ATOM 1760 O HIS A 111 20.742 -3.538 -12.235 1.00 0.00 O ATOM 1761 CB HIS A 111 19.073 -5.555 -10.001 1.00 0.00 C ATOM 1762 CG HIS A 111 19.026 -7.040 -9.795 1.00 0.00 C ATOM 1763 ND1 HIS A 111 19.100 -7.939 -10.833 1.00 0.00 N ATOM 1764 CD2 HIS A 111 18.904 -7.782 -8.668 1.00 0.00 C ATOM 1765 CE1 HIS A 111 19.023 -9.168 -10.361 1.00 0.00 C ATOM 1766 NE2 HIS A 111 18.902 -9.103 -9.047 1.00 0.00 N ATOM 1767 OXT HIS A 111 19.832 -2.734 -10.410 1.00 0.00 O ATOM 0 H HIS A 111 21.095 -4.132 -8.627 1.00 0.00 H new ATOM 0 HA HIS A 111 20.895 -5.747 -11.092 1.00 0.00 H new ATOM 0 HB2 HIS A 111 18.758 -5.060 -9.082 1.00 0.00 H new ATOM 0 HB3 HIS A 111 18.353 -5.282 -10.773 1.00 0.00 H new ATOM 0 HD2 HIS A 111 18.823 -7.405 -7.659 1.00 0.00 H new ATOM 0 HE1 HIS A 111 19.054 -10.074 -10.949 1.00 0.00 H new ATOM 0 HE2 HIS A 111 18.821 -9.902 -8.418 1.00 0.00 H new TER 1776 HIS A 111