USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 875 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 17 HIS : no HE2:sc= 0.872 K(o=0.53,f=-6.3!) USER MOD Set 1.2: A 62 THR OG1 : rot 151:sc= -0.344 USER MOD Set 2.1: A 15 ASN : amide:sc= -0.233 K(o=-0.21,f=-6.1!) USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 0.027 USER MOD Single : A 1 MET CE :methyl -145:sc= -0.352 (180deg=-1.45!) USER MOD Single : A 1 MET N :NH3+ -161:sc= -1.17 (180deg=-2.14) USER MOD Single : A 6 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.525 K(o=-0.52,f=-2.9) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -2.99! C(o=-3!,f=-4.1!) USER MOD Single : A 19 MET CE :methyl 158:sc= -0.134 (180deg=-0.753) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.657 K(o=0.66,f=-0.68) USER MOD Single : A 23 GLN : amide:sc= -1.54! C(o=-1.5!,f=-5.7!) USER MOD Single : A 29 SER OG : rot 180:sc= -0.22 USER MOD Single : A 32 ASN : amide:sc= -0.0361 X(o=-0.036,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.92! C(o=-1.9!,f=-5.2!) USER MOD Single : A 36 TYR OH : rot 30:sc= -0.119 USER MOD Single : A 37 SER OG : rot -43:sc= -0.368 USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.63! K(o=-1.6!,f=-0.27) USER MOD Single : A 50 THR OG1 : rot -27:sc= 0.0366 USER MOD Single : A 52 HIS : no HD1:sc= -0.0222 X(o=-0.022,f=0) USER MOD Single : A 56 TYR OH : rot 130:sc= -0.112 USER MOD Single : A 60 ASN : amide:sc= -0.247 K(o=-0.25,f=-5.2!) USER MOD Single : A 71 THR OG1 : rot 160:sc= 1.17 USER MOD Single : A 76 TYR OH : rot 71:sc= 0.827 USER MOD Single : A 79 GLN : amide:sc= -0.722 K(o=-0.72,f=0) USER MOD Single : A 82 GLN : amide:sc= -3.37 K(o=-3.4,f=-2.5!) USER MOD Single : A 83 THR OG1 : rot -90:sc= 1.38 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 48:sc= 0.433 USER MOD Single : A 90 MET CE :methyl 169:sc= -0.454 (180deg=-0.707) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 165:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -2.71 K(o=-2.7,f=-0.67) USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.187) USER MOD Single : A 105 SER OG : rot -172:sc= 0.889 USER MOD Single : A 113 LYS NZ :NH3+ 160:sc= -1.82! (180deg=-2.92!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.130 3.318 -12.679 1.00 0.00 N ATOM 2 CA MET A 1 5.649 3.351 -11.303 1.00 0.00 C ATOM 3 C MET A 1 5.032 2.197 -10.509 1.00 0.00 C ATOM 4 O MET A 1 4.121 1.533 -11.000 1.00 0.00 O ATOM 5 CB MET A 1 5.335 4.705 -10.665 1.00 0.00 C ATOM 6 CG MET A 1 6.298 5.095 -9.556 1.00 0.00 C ATOM 7 SD MET A 1 6.078 6.800 -9.019 1.00 0.00 S ATOM 8 CE MET A 1 6.350 7.678 -10.560 1.00 0.00 C ATOM 0 H1 MET A 1 5.758 3.867 -13.300 1.00 0.00 H new ATOM 0 H2 MET A 1 5.090 2.333 -13.011 1.00 0.00 H new ATOM 0 H3 MET A 1 4.175 3.730 -12.700 1.00 0.00 H new ATOM 0 HA MET A 1 6.732 3.228 -11.304 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.354 5.474 -11.437 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.322 4.681 -10.263 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.156 4.428 -8.705 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.322 4.956 -9.903 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.852 8.624 -10.356 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.972 7.072 -11.219 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.392 7.872 -11.042 1.00 0.00 H new ATOM 20 N ARG A 2 5.523 1.944 -9.301 1.00 0.00 N ATOM 21 CA ARG A 2 5.058 0.812 -8.513 1.00 0.00 C ATOM 22 C ARG A 2 4.404 1.275 -7.216 1.00 0.00 C ATOM 23 O ARG A 2 4.831 2.259 -6.604 1.00 0.00 O ATOM 24 CB ARG A 2 6.214 -0.150 -8.216 1.00 0.00 C ATOM 25 CG ARG A 2 7.455 0.509 -7.638 1.00 0.00 C ATOM 26 CD ARG A 2 8.349 1.093 -8.720 1.00 0.00 C ATOM 27 NE ARG A 2 9.257 2.106 -8.192 1.00 0.00 N ATOM 28 CZ ARG A 2 10.097 2.817 -8.946 1.00 0.00 C ATOM 29 NH1 ARG A 2 10.252 2.517 -10.232 1.00 0.00 N ATOM 30 NH2 ARG A 2 10.804 3.799 -8.406 1.00 0.00 N ATOM 0 H ARG A 2 6.242 2.508 -8.848 1.00 0.00 H new ATOM 0 HA ARG A 2 4.307 0.283 -9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.865 -0.911 -7.518 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.488 -0.663 -9.138 1.00 0.00 H new ATOM 0 HG2 ARG A 2 7.158 1.299 -6.949 1.00 0.00 H new ATOM 0 HG3 ARG A 2 8.018 -0.224 -7.060 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.928 0.293 -9.183 1.00 0.00 H new ATOM 0 HD3 ARG A 2 7.731 1.533 -9.503 1.00 0.00 H new ATOM 0 HE ARG A 2 9.249 2.281 -7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.729 1.743 -10.642 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.894 3.061 -10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.706 4.012 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.446 4.342 -8.983 1.00 0.00 H new ATOM 44 N ILE A 3 3.375 0.553 -6.799 1.00 0.00 N ATOM 45 CA ILE A 3 2.587 0.942 -5.638 1.00 0.00 C ATOM 46 C ILE A 3 2.222 -0.279 -4.792 1.00 0.00 C ATOM 47 O ILE A 3 2.100 -1.393 -5.311 1.00 0.00 O ATOM 48 CB ILE A 3 1.304 1.692 -6.079 1.00 0.00 C ATOM 49 CG1 ILE A 3 0.458 2.101 -4.866 1.00 0.00 C ATOM 50 CG2 ILE A 3 0.489 0.841 -7.050 1.00 0.00 C ATOM 51 CD1 ILE A 3 -0.802 2.861 -5.226 1.00 0.00 C ATOM 0 H ILE A 3 3.065 -0.308 -7.249 1.00 0.00 H new ATOM 0 HA ILE A 3 3.192 1.613 -5.028 1.00 0.00 H new ATOM 0 HB ILE A 3 1.607 2.603 -6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.184 1.206 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.065 2.717 -4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.407 1.386 -7.347 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.089 0.621 -7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.202 -0.092 -6.564 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.346 3.115 -4.316 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.536 3.775 -5.757 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.431 2.241 -5.864 1.00 0.00 H new ATOM 63 N PHE A 4 2.065 -0.066 -3.491 1.00 0.00 N ATOM 64 CA PHE A 4 1.696 -1.130 -2.576 1.00 0.00 C ATOM 65 C PHE A 4 0.192 -1.099 -2.327 1.00 0.00 C ATOM 66 O PHE A 4 -0.338 -0.127 -1.784 1.00 0.00 O ATOM 67 CB PHE A 4 2.463 -0.975 -1.257 1.00 0.00 C ATOM 68 CG PHE A 4 2.217 -2.080 -0.272 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.879 -3.288 -0.392 1.00 0.00 C ATOM 70 CD2 PHE A 4 1.331 -1.905 0.778 1.00 0.00 C ATOM 71 CE1 PHE A 4 2.662 -4.304 0.514 1.00 0.00 C ATOM 72 CE2 PHE A 4 1.107 -2.918 1.689 1.00 0.00 C ATOM 73 CZ PHE A 4 1.773 -4.120 1.557 1.00 0.00 C ATOM 0 H PHE A 4 2.190 0.844 -3.047 1.00 0.00 H new ATOM 0 HA PHE A 4 1.957 -2.092 -3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.530 -0.926 -1.473 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.187 -0.026 -0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.574 -3.437 -1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.809 -0.965 0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.186 -5.243 0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.413 -2.770 2.503 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.600 -4.915 2.267 1.00 0.00 H new ATOM 83 N VAL A 5 -0.491 -2.154 -2.745 1.00 0.00 N ATOM 84 CA VAL A 5 -1.929 -2.266 -2.557 1.00 0.00 C ATOM 85 C VAL A 5 -2.212 -3.206 -1.391 1.00 0.00 C ATOM 86 O VAL A 5 -1.350 -3.994 -1.018 1.00 0.00 O ATOM 87 CB VAL A 5 -2.611 -2.796 -3.841 1.00 0.00 C ATOM 88 CG1 VAL A 5 -4.124 -2.690 -3.749 1.00 0.00 C ATOM 89 CG2 VAL A 5 -2.101 -2.050 -5.062 1.00 0.00 C ATOM 0 H VAL A 5 -0.068 -2.951 -3.221 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.335 -1.278 -2.340 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.355 -3.851 -3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.572 -3.071 -4.667 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.479 -3.277 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.408 -1.647 -3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.592 -2.436 -5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.321 -0.988 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.024 -2.190 -5.150 1.00 0.00 H new ATOM 99 N TYR A 6 -3.395 -3.104 -0.800 1.00 0.00 N ATOM 100 CA TYR A 6 -3.761 -3.951 0.329 1.00 0.00 C ATOM 101 C TYR A 6 -5.269 -4.163 0.401 1.00 0.00 C ATOM 102 O TYR A 6 -6.040 -3.209 0.549 1.00 0.00 O ATOM 103 CB TYR A 6 -3.236 -3.365 1.651 1.00 0.00 C ATOM 104 CG TYR A 6 -3.210 -1.848 1.707 1.00 0.00 C ATOM 105 CD1 TYR A 6 -2.113 -1.140 1.229 1.00 0.00 C ATOM 106 CD2 TYR A 6 -4.271 -1.128 2.241 1.00 0.00 C ATOM 107 CE1 TYR A 6 -2.074 0.239 1.279 1.00 0.00 C ATOM 108 CE2 TYR A 6 -4.238 0.253 2.294 1.00 0.00 C ATOM 109 CZ TYR A 6 -3.138 0.931 1.812 1.00 0.00 C ATOM 110 OH TYR A 6 -3.099 2.306 1.860 1.00 0.00 O ATOM 0 H TYR A 6 -4.118 -2.443 -1.083 1.00 0.00 H new ATOM 0 HA TYR A 6 -3.292 -4.923 0.173 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.856 -3.735 2.468 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.227 -3.739 1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.276 -1.679 0.811 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.134 -1.655 2.620 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -1.214 0.772 0.902 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -5.071 0.799 2.712 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.561 2.644 1.114 1.00 0.00 H new ATOM 120 N GLY A 7 -5.685 -5.417 0.280 1.00 0.00 N ATOM 121 CA GLY A 7 -7.088 -5.757 0.393 1.00 0.00 C ATOM 122 C GLY A 7 -7.851 -5.483 -0.886 1.00 0.00 C ATOM 123 O GLY A 7 -8.039 -6.380 -1.710 1.00 0.00 O ATOM 0 H GLY A 7 -5.069 -6.210 0.104 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.184 -6.811 0.652 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.533 -5.187 1.208 1.00 0.00 H new ATOM 127 N SER A 8 -8.297 -4.244 -1.045 1.00 0.00 N ATOM 128 CA SER A 8 -8.996 -3.833 -2.257 1.00 0.00 C ATOM 129 C SER A 8 -8.021 -3.650 -3.418 1.00 0.00 C ATOM 130 O SER A 8 -7.613 -2.528 -3.737 1.00 0.00 O ATOM 131 CB SER A 8 -9.777 -2.540 -2.012 1.00 0.00 C ATOM 132 OG SER A 8 -10.762 -2.727 -1.011 1.00 0.00 O ATOM 0 H SER A 8 -8.188 -3.505 -0.350 1.00 0.00 H new ATOM 0 HA SER A 8 -9.698 -4.623 -2.524 1.00 0.00 H new ATOM 0 HB2 SER A 8 -9.092 -1.748 -1.710 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.251 -2.215 -2.938 1.00 0.00 H new ATOM 0 HG SER A 8 -11.248 -1.888 -0.869 1.00 0.00 H new ATOM 138 N LEU A 9 -7.640 -4.760 -4.036 1.00 0.00 N ATOM 139 CA LEU A 9 -6.701 -4.736 -5.151 1.00 0.00 C ATOM 140 C LEU A 9 -7.384 -4.276 -6.438 1.00 0.00 C ATOM 141 O LEU A 9 -6.723 -3.817 -7.368 1.00 0.00 O ATOM 142 CB LEU A 9 -6.046 -6.113 -5.358 1.00 0.00 C ATOM 143 CG LEU A 9 -6.927 -7.205 -5.987 1.00 0.00 C ATOM 144 CD1 LEU A 9 -6.069 -8.378 -6.431 1.00 0.00 C ATOM 145 CD2 LEU A 9 -7.999 -7.688 -5.017 1.00 0.00 C ATOM 0 H LEU A 9 -7.968 -5.692 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.919 -4.019 -4.902 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.166 -5.981 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.695 -6.473 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.426 -6.770 -6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.703 -9.145 -6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.341 -8.038 -7.168 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.546 -8.793 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.602 -8.459 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -7.525 -8.099 -4.126 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.638 -6.851 -4.734 1.00 0.00 H new ATOM 157 N ARG A 10 -8.707 -4.393 -6.488 1.00 0.00 N ATOM 158 CA ARG A 10 -9.458 -3.994 -7.673 1.00 0.00 C ATOM 159 C ARG A 10 -9.680 -2.488 -7.710 1.00 0.00 C ATOM 160 O ARG A 10 -9.287 -1.832 -8.672 1.00 0.00 O ATOM 161 CB ARG A 10 -10.811 -4.707 -7.735 1.00 0.00 C ATOM 162 CG ARG A 10 -10.714 -6.196 -8.005 1.00 0.00 C ATOM 163 CD ARG A 10 -12.094 -6.817 -8.128 1.00 0.00 C ATOM 164 NE ARG A 10 -12.854 -6.702 -6.884 1.00 0.00 N ATOM 165 CZ ARG A 10 -14.135 -6.341 -6.819 1.00 0.00 C ATOM 166 NH1 ARG A 10 -14.807 -6.057 -7.928 1.00 0.00 N ATOM 167 NH2 ARG A 10 -14.744 -6.271 -5.641 1.00 0.00 N ATOM 0 H ARG A 10 -9.279 -4.759 -5.726 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.862 -4.283 -8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.334 -4.553 -6.791 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.417 -4.246 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.151 -6.367 -8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.164 -6.681 -7.198 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.641 -6.330 -8.935 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -11.997 -7.868 -8.399 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.372 -6.912 -6.010 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.343 -6.115 -8.834 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.787 -5.781 -7.874 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -14.231 -6.493 -4.788 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.725 -5.995 -5.589 1.00 0.00 H new ATOM 181 N HIS A 11 -10.285 -1.954 -6.639 1.00 0.00 N ATOM 182 CA HIS A 11 -10.740 -0.555 -6.589 1.00 0.00 C ATOM 183 C HIS A 11 -11.381 -0.144 -7.916 1.00 0.00 C ATOM 184 O HIS A 11 -10.786 0.568 -8.727 1.00 0.00 O ATOM 185 CB HIS A 11 -9.624 0.427 -6.160 1.00 0.00 C ATOM 186 CG HIS A 11 -8.360 0.395 -6.979 1.00 0.00 C ATOM 187 ND1 HIS A 11 -8.163 1.179 -8.094 1.00 0.00 N ATOM 188 CD2 HIS A 11 -7.224 -0.327 -6.827 1.00 0.00 C ATOM 189 CE1 HIS A 11 -6.964 0.943 -8.590 1.00 0.00 C ATOM 190 NE2 HIS A 11 -6.370 0.032 -7.842 1.00 0.00 N ATOM 0 H HIS A 11 -10.473 -2.478 -5.784 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.502 -0.496 -5.812 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -10.027 1.439 -6.192 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.365 0.219 -5.122 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -7.026 -1.051 -6.051 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -6.539 1.416 -9.463 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -5.433 -0.343 -7.992 1.00 0.00 H new ATOM 199 N LYS A 12 -12.610 -0.619 -8.109 1.00 0.00 N ATOM 200 CA LYS A 12 -13.311 -0.538 -9.388 1.00 0.00 C ATOM 201 C LYS A 12 -12.622 -1.422 -10.413 1.00 0.00 C ATOM 202 O LYS A 12 -12.855 -2.633 -10.441 1.00 0.00 O ATOM 203 CB LYS A 12 -13.443 0.905 -9.905 1.00 0.00 C ATOM 204 CG LYS A 12 -14.272 1.017 -11.178 1.00 0.00 C ATOM 205 CD LYS A 12 -14.267 2.428 -11.740 1.00 0.00 C ATOM 206 CE LYS A 12 -14.949 3.413 -10.805 1.00 0.00 C ATOM 207 NZ LYS A 12 -14.961 4.787 -11.368 1.00 0.00 N ATOM 0 H LYS A 12 -13.152 -1.075 -7.375 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.327 -0.898 -9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.897 1.521 -9.129 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.448 1.309 -10.091 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.881 0.328 -11.926 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -15.298 0.714 -10.970 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.239 2.746 -11.915 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.772 2.436 -12.706 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.972 3.088 -10.617 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.435 3.418 -9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.434 5.431 -10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -13.984 5.107 -11.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -15.473 4.787 -12.273 1.00 0.00 H new ATOM 221 N GLN A 13 -11.742 -0.819 -11.205 1.00 0.00 N ATOM 222 CA GLN A 13 -11.040 -1.518 -12.270 1.00 0.00 C ATOM 223 C GLN A 13 -12.008 -1.972 -13.372 1.00 0.00 C ATOM 224 O GLN A 13 -13.149 -2.345 -13.109 1.00 0.00 O ATOM 225 CB GLN A 13 -10.199 -2.670 -11.682 1.00 0.00 C ATOM 226 CG GLN A 13 -9.551 -3.606 -12.696 1.00 0.00 C ATOM 227 CD GLN A 13 -10.512 -4.632 -13.274 1.00 0.00 C ATOM 228 OE1 GLN A 13 -10.357 -5.069 -14.411 1.00 0.00 O ATOM 229 NE2 GLN A 13 -11.512 -5.018 -12.499 1.00 0.00 N ATOM 0 H GLN A 13 -11.497 0.168 -11.125 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.346 -0.831 -12.754 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.414 -2.240 -11.060 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.837 -3.262 -11.026 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.132 -3.014 -13.509 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.720 -4.126 -12.219 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.608 -4.632 -11.560 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.188 -5.702 -12.841 1.00 0.00 H new ATOM 238 N GLY A 14 -11.550 -1.910 -14.615 1.00 0.00 N ATOM 239 CA GLY A 14 -12.394 -2.292 -15.730 1.00 0.00 C ATOM 240 C GLY A 14 -12.304 -1.309 -16.876 1.00 0.00 C ATOM 241 O GLY A 14 -12.725 -1.601 -17.996 1.00 0.00 O ATOM 0 H GLY A 14 -10.612 -1.603 -14.871 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.105 -3.283 -16.080 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.428 -2.362 -15.394 1.00 0.00 H new ATOM 245 N ASN A 15 -11.755 -0.137 -16.592 1.00 0.00 N ATOM 246 CA ASN A 15 -11.570 0.890 -17.614 1.00 0.00 C ATOM 247 C ASN A 15 -10.333 1.733 -17.331 1.00 0.00 C ATOM 248 O ASN A 15 -9.720 2.274 -18.252 1.00 0.00 O ATOM 249 CB ASN A 15 -12.816 1.781 -17.755 1.00 0.00 C ATOM 250 CG ASN A 15 -13.364 2.302 -16.435 1.00 0.00 C ATOM 251 OD1 ASN A 15 -12.635 2.492 -15.461 1.00 0.00 O ATOM 252 ND2 ASN A 15 -14.664 2.543 -16.402 1.00 0.00 N ATOM 0 H ASN A 15 -11.429 0.129 -15.663 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.421 0.376 -18.564 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.571 2.630 -18.394 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.598 1.215 -18.262 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.095 2.899 -15.549 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -15.235 2.373 -17.230 1.00 0.00 H new ATOM 259 N SER A 16 -9.973 1.853 -16.061 1.00 0.00 N ATOM 260 CA SER A 16 -8.734 2.508 -15.677 1.00 0.00 C ATOM 261 C SER A 16 -7.535 1.719 -16.206 1.00 0.00 C ATOM 262 O SER A 16 -7.664 0.539 -16.552 1.00 0.00 O ATOM 263 CB SER A 16 -8.665 2.609 -14.154 1.00 0.00 C ATOM 264 OG SER A 16 -9.946 2.877 -13.612 1.00 0.00 O ATOM 0 H SER A 16 -10.525 1.503 -15.278 1.00 0.00 H new ATOM 0 HA SER A 16 -8.708 3.509 -16.107 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.277 1.678 -13.740 1.00 0.00 H new ATOM 0 HB3 SER A 16 -7.971 3.399 -13.868 1.00 0.00 H new ATOM 0 HG SER A 16 -9.882 2.936 -12.636 1.00 0.00 H new ATOM 270 N HIS A 17 -6.368 2.360 -16.232 1.00 0.00 N ATOM 271 CA HIS A 17 -5.143 1.721 -16.723 1.00 0.00 C ATOM 272 C HIS A 17 -4.814 0.478 -15.898 1.00 0.00 C ATOM 273 O HIS A 17 -4.051 -0.389 -16.328 1.00 0.00 O ATOM 274 CB HIS A 17 -3.963 2.692 -16.648 1.00 0.00 C ATOM 275 CG HIS A 17 -4.114 3.933 -17.472 1.00 0.00 C ATOM 276 ND1 HIS A 17 -4.622 5.114 -16.973 1.00 0.00 N ATOM 277 CD2 HIS A 17 -3.788 4.183 -18.761 1.00 0.00 C ATOM 278 CE1 HIS A 17 -4.602 6.033 -17.920 1.00 0.00 C ATOM 279 NE2 HIS A 17 -4.098 5.495 -19.017 1.00 0.00 N ATOM 0 H HIS A 17 -6.242 3.323 -15.919 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.313 1.433 -17.760 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.814 2.980 -15.607 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -3.061 2.170 -16.966 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -4.960 5.255 -16.021 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -3.362 3.479 -19.460 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -4.941 7.053 -17.816 1.00 0.00 H new ATOM 288 N TRP A 18 -5.416 0.410 -14.715 1.00 0.00 N ATOM 289 CA TRP A 18 -5.190 -0.669 -13.759 1.00 0.00 C ATOM 290 C TRP A 18 -5.532 -2.040 -14.348 1.00 0.00 C ATOM 291 O TRP A 18 -4.971 -3.048 -13.941 1.00 0.00 O ATOM 292 CB TRP A 18 -6.035 -0.409 -12.509 1.00 0.00 C ATOM 293 CG TRP A 18 -5.623 -1.223 -11.320 1.00 0.00 C ATOM 294 CD1 TRP A 18 -6.289 -2.284 -10.778 1.00 0.00 C ATOM 295 CD2 TRP A 18 -4.447 -1.035 -10.523 1.00 0.00 C ATOM 296 NE1 TRP A 18 -5.602 -2.760 -9.688 1.00 0.00 N ATOM 297 CE2 TRP A 18 -4.466 -2.016 -9.513 1.00 0.00 C ATOM 298 CE3 TRP A 18 -3.378 -0.135 -10.566 1.00 0.00 C ATOM 299 CZ2 TRP A 18 -3.460 -2.115 -8.554 1.00 0.00 C ATOM 300 CZ3 TRP A 18 -2.382 -0.236 -9.616 1.00 0.00 C ATOM 301 CH2 TRP A 18 -2.427 -1.220 -8.622 1.00 0.00 C ATOM 0 H TRP A 18 -6.082 1.110 -14.389 1.00 0.00 H new ATOM 0 HA TRP A 18 -4.130 -0.685 -13.504 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -5.972 0.649 -12.253 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.080 -0.620 -12.738 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -7.218 -2.689 -11.151 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -5.892 -3.543 -9.102 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -3.332 0.627 -11.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.494 -2.872 -7.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.553 0.456 -9.640 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -1.631 -1.274 -7.894 1.00 0.00 H new ATOM 312 N MET A 19 -6.450 -2.074 -15.303 1.00 0.00 N ATOM 313 CA MET A 19 -6.873 -3.338 -15.898 1.00 0.00 C ATOM 314 C MET A 19 -5.894 -3.804 -16.978 1.00 0.00 C ATOM 315 O MET A 19 -5.675 -5.001 -17.158 1.00 0.00 O ATOM 316 CB MET A 19 -8.272 -3.197 -16.505 1.00 0.00 C ATOM 317 CG MET A 19 -8.795 -4.480 -17.135 1.00 0.00 C ATOM 318 SD MET A 19 -10.378 -4.253 -17.970 1.00 0.00 S ATOM 319 CE MET A 19 -9.905 -3.112 -19.267 1.00 0.00 C ATOM 0 H MET A 19 -6.915 -1.249 -15.682 1.00 0.00 H new ATOM 0 HA MET A 19 -6.891 -4.085 -15.104 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.965 -2.875 -15.728 1.00 0.00 H new ATOM 0 HB3 MET A 19 -8.253 -2.412 -17.261 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.062 -4.853 -17.850 1.00 0.00 H new ATOM 0 HG3 MET A 19 -8.903 -5.241 -16.362 1.00 0.00 H new ATOM 0 HE1 MET A 19 -10.627 -3.168 -20.082 1.00 0.00 H new ATOM 0 HE2 MET A 19 -9.885 -2.097 -18.869 1.00 0.00 H new ATOM 0 HE3 MET A 19 -8.915 -3.375 -19.640 1.00 0.00 H new ATOM 329 N THR A 20 -5.297 -2.854 -17.679 1.00 0.00 N ATOM 330 CA THR A 20 -4.511 -3.168 -18.859 1.00 0.00 C ATOM 331 C THR A 20 -3.033 -3.388 -18.537 1.00 0.00 C ATOM 332 O THR A 20 -2.472 -4.436 -18.861 1.00 0.00 O ATOM 333 CB THR A 20 -4.645 -2.047 -19.908 1.00 0.00 C ATOM 334 OG1 THR A 20 -6.034 -1.763 -20.130 1.00 0.00 O ATOM 335 CG2 THR A 20 -3.989 -2.442 -21.226 1.00 0.00 C ATOM 0 H THR A 20 -5.342 -1.861 -17.451 1.00 0.00 H new ATOM 0 HA THR A 20 -4.906 -4.102 -19.259 1.00 0.00 H new ATOM 0 HB THR A 20 -4.138 -1.160 -19.527 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.120 -1.049 -20.796 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.100 -1.631 -21.945 1.00 0.00 H new ATOM 0 HG22 THR A 20 -2.929 -2.638 -21.061 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.467 -3.341 -21.616 1.00 0.00 H new ATOM 343 N ASN A 21 -2.415 -2.418 -17.876 1.00 0.00 N ATOM 344 CA ASN A 21 -0.960 -2.412 -17.729 1.00 0.00 C ATOM 345 C ASN A 21 -0.512 -2.948 -16.375 1.00 0.00 C ATOM 346 O ASN A 21 0.662 -2.839 -16.021 1.00 0.00 O ATOM 347 CB ASN A 21 -0.416 -0.995 -17.917 1.00 0.00 C ATOM 348 CG ASN A 21 -0.676 -0.445 -19.309 1.00 0.00 C ATOM 349 OD1 ASN A 21 -0.730 -1.191 -20.287 1.00 0.00 O ATOM 350 ND2 ASN A 21 -0.818 0.863 -19.414 1.00 0.00 N ATOM 0 H ASN A 21 -2.891 -1.630 -17.436 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.561 -3.072 -18.499 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.872 -0.335 -17.179 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.657 -0.994 -17.725 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.978 1.287 -20.328 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.767 1.450 -18.581 1.00 0.00 H new ATOM 357 N ALA A 22 -1.437 -3.535 -15.625 1.00 0.00 N ATOM 358 CA ALA A 22 -1.121 -4.064 -14.305 1.00 0.00 C ATOM 359 C ALA A 22 -0.174 -5.247 -14.387 1.00 0.00 C ATOM 360 O ALA A 22 -0.494 -6.285 -14.968 1.00 0.00 O ATOM 361 CB ALA A 22 -2.385 -4.466 -13.569 1.00 0.00 C ATOM 0 H ALA A 22 -2.409 -3.656 -15.908 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.623 -3.268 -13.750 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.124 -4.858 -12.586 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.031 -3.596 -13.453 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.909 -5.233 -14.138 1.00 0.00 H new ATOM 367 N GLN A 23 1.000 -5.069 -13.817 1.00 0.00 N ATOM 368 CA GLN A 23 1.959 -6.146 -13.682 1.00 0.00 C ATOM 369 C GLN A 23 2.013 -6.571 -12.224 1.00 0.00 C ATOM 370 O GLN A 23 2.327 -5.761 -11.348 1.00 0.00 O ATOM 371 CB GLN A 23 3.346 -5.696 -14.150 1.00 0.00 C ATOM 372 CG GLN A 23 4.394 -6.799 -14.118 1.00 0.00 C ATOM 373 CD GLN A 23 5.787 -6.287 -14.434 1.00 0.00 C ATOM 374 OE1 GLN A 23 5.955 -5.301 -15.153 1.00 0.00 O ATOM 375 NE2 GLN A 23 6.797 -6.958 -13.909 1.00 0.00 N ATOM 0 H GLN A 23 1.316 -4.177 -13.436 1.00 0.00 H new ATOM 0 HA GLN A 23 1.650 -6.986 -14.304 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.269 -5.311 -15.167 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.681 -4.871 -13.521 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.397 -7.265 -13.132 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.124 -7.573 -14.836 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.618 -7.770 -13.318 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.756 -6.664 -14.094 1.00 0.00 H new ATOM 384 N LEU A 24 1.687 -7.825 -11.962 1.00 0.00 N ATOM 385 CA LEU A 24 1.699 -8.337 -10.607 1.00 0.00 C ATOM 386 C LEU A 24 3.115 -8.718 -10.212 1.00 0.00 C ATOM 387 O LEU A 24 3.612 -9.789 -10.573 1.00 0.00 O ATOM 388 CB LEU A 24 0.760 -9.536 -10.458 1.00 0.00 C ATOM 389 CG LEU A 24 0.737 -10.167 -9.062 1.00 0.00 C ATOM 390 CD1 LEU A 24 0.298 -9.150 -8.018 1.00 0.00 C ATOM 391 CD2 LEU A 24 -0.177 -11.378 -9.045 1.00 0.00 C ATOM 0 H LEU A 24 1.411 -8.505 -12.670 1.00 0.00 H new ATOM 0 HA LEU A 24 1.341 -7.552 -9.941 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.251 -9.221 -10.715 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.050 -10.298 -11.181 1.00 0.00 H new ATOM 0 HG LEU A 24 1.748 -10.492 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.289 -9.619 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.993 -8.310 -8.013 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.703 -8.791 -8.258 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.183 -11.815 -8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.189 -11.074 -9.314 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.183 -12.116 -9.762 1.00 0.00 H new ATOM 403 N LEU A 25 3.760 -7.814 -9.497 1.00 0.00 N ATOM 404 CA LEU A 25 5.111 -8.035 -9.017 1.00 0.00 C ATOM 405 C LEU A 25 5.120 -9.184 -8.022 1.00 0.00 C ATOM 406 O LEU A 25 6.002 -10.041 -8.045 1.00 0.00 O ATOM 407 CB LEU A 25 5.647 -6.756 -8.370 1.00 0.00 C ATOM 408 CG LEU A 25 5.824 -5.570 -9.323 1.00 0.00 C ATOM 409 CD1 LEU A 25 6.335 -4.351 -8.573 1.00 0.00 C ATOM 410 CD2 LEU A 25 6.774 -5.931 -10.457 1.00 0.00 C ATOM 0 H LEU A 25 3.365 -6.911 -9.234 1.00 0.00 H new ATOM 0 HA LEU A 25 5.757 -8.296 -9.855 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.969 -6.461 -7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.609 -6.977 -7.907 1.00 0.00 H new ATOM 0 HG LEU A 25 4.851 -5.329 -9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.454 -3.520 -9.268 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.621 -4.076 -7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.297 -4.582 -8.116 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.887 -5.076 -11.123 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.746 -6.201 -10.045 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.370 -6.775 -11.016 1.00 0.00 H new ATOM 422 N GLY A 26 4.116 -9.197 -7.159 1.00 0.00 N ATOM 423 CA GLY A 26 3.946 -10.288 -6.228 1.00 0.00 C ATOM 424 C GLY A 26 3.281 -9.832 -4.953 1.00 0.00 C ATOM 425 O GLY A 26 3.368 -8.656 -4.596 1.00 0.00 O ATOM 0 H GLY A 26 3.411 -8.463 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.347 -11.072 -6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.918 -10.724 -5.996 1.00 0.00 H new ATOM 429 N ASP A 27 2.592 -10.743 -4.278 1.00 0.00 N ATOM 430 CA ASP A 27 1.992 -10.424 -2.993 1.00 0.00 C ATOM 431 C ASP A 27 3.096 -10.241 -1.972 1.00 0.00 C ATOM 432 O ASP A 27 4.104 -10.951 -1.999 1.00 0.00 O ATOM 433 CB ASP A 27 1.049 -11.520 -2.503 1.00 0.00 C ATOM 434 CG ASP A 27 0.135 -12.062 -3.582 1.00 0.00 C ATOM 435 OD1 ASP A 27 -0.920 -11.456 -3.836 1.00 0.00 O ATOM 436 OD2 ASP A 27 0.471 -13.110 -4.177 1.00 0.00 O ATOM 0 H ASP A 27 2.437 -11.699 -4.597 1.00 0.00 H new ATOM 0 HA ASP A 27 1.407 -9.513 -3.117 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.640 -12.340 -2.094 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.441 -11.127 -1.688 1.00 0.00 H new ATOM 441 N PHE A 28 2.898 -9.308 -1.075 1.00 0.00 N ATOM 442 CA PHE A 28 3.914 -8.960 -0.097 1.00 0.00 C ATOM 443 C PHE A 28 3.270 -8.365 1.147 1.00 0.00 C ATOM 444 O PHE A 28 2.664 -7.300 1.097 1.00 0.00 O ATOM 445 CB PHE A 28 4.910 -7.983 -0.734 1.00 0.00 C ATOM 446 CG PHE A 28 5.953 -7.434 0.198 1.00 0.00 C ATOM 447 CD1 PHE A 28 6.660 -8.263 1.055 1.00 0.00 C ATOM 448 CD2 PHE A 28 6.229 -6.076 0.206 1.00 0.00 C ATOM 449 CE1 PHE A 28 7.619 -7.745 1.904 1.00 0.00 C ATOM 450 CE2 PHE A 28 7.187 -5.554 1.049 1.00 0.00 C ATOM 451 CZ PHE A 28 7.882 -6.387 1.901 1.00 0.00 C ATOM 0 H PHE A 28 2.036 -8.768 -0.997 1.00 0.00 H new ATOM 0 HA PHE A 28 4.452 -9.856 0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.413 -8.488 -1.559 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.353 -7.149 -1.162 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.459 -9.324 1.059 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.687 -5.418 -0.457 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.163 -8.400 2.569 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.393 -4.494 1.042 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.630 -5.980 2.565 1.00 0.00 H new ATOM 461 N SER A 29 3.383 -9.075 2.255 1.00 0.00 N ATOM 462 CA SER A 29 2.824 -8.620 3.513 1.00 0.00 C ATOM 463 C SER A 29 3.917 -8.015 4.383 1.00 0.00 C ATOM 464 O SER A 29 4.990 -8.597 4.534 1.00 0.00 O ATOM 465 CB SER A 29 2.142 -9.789 4.220 1.00 0.00 C ATOM 466 OG SER A 29 1.225 -10.427 3.341 1.00 0.00 O ATOM 0 H SER A 29 3.860 -9.975 2.308 1.00 0.00 H new ATOM 0 HA SER A 29 2.079 -7.847 3.324 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.891 -10.505 4.559 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.618 -9.432 5.107 1.00 0.00 H new ATOM 0 HG SER A 29 0.795 -11.176 3.804 1.00 0.00 H new ATOM 472 N ILE A 30 3.651 -6.844 4.945 1.00 0.00 N ATOM 473 CA ILE A 30 4.661 -6.136 5.714 1.00 0.00 C ATOM 474 C ILE A 30 4.272 -6.048 7.182 1.00 0.00 C ATOM 475 O ILE A 30 3.101 -5.865 7.518 1.00 0.00 O ATOM 476 CB ILE A 30 4.925 -4.724 5.152 1.00 0.00 C ATOM 477 CG1 ILE A 30 3.660 -3.866 5.174 1.00 0.00 C ATOM 478 CG2 ILE A 30 5.457 -4.824 3.735 1.00 0.00 C ATOM 479 CD1 ILE A 30 3.847 -2.517 4.513 1.00 0.00 C ATOM 0 H ILE A 30 2.751 -6.368 4.883 1.00 0.00 H new ATOM 0 HA ILE A 30 5.583 -6.711 5.629 1.00 0.00 H new ATOM 0 HB ILE A 30 5.667 -4.243 5.788 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.855 -4.402 4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.347 -3.717 6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.641 -3.823 3.344 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.388 -5.391 3.735 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.724 -5.330 3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.914 -1.956 4.561 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.630 -1.964 5.031 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.132 -2.659 3.470 1.00 0.00 H new ATOM 491 N ASP A 31 5.259 -6.190 8.047 1.00 0.00 N ATOM 492 CA ASP A 31 5.028 -6.214 9.481 1.00 0.00 C ATOM 493 C ASP A 31 5.258 -4.828 10.070 1.00 0.00 C ATOM 494 O ASP A 31 5.917 -3.990 9.454 1.00 0.00 O ATOM 495 CB ASP A 31 5.953 -7.249 10.135 1.00 0.00 C ATOM 496 CG ASP A 31 5.657 -7.482 11.608 1.00 0.00 C ATOM 497 OD1 ASP A 31 4.481 -7.353 12.015 1.00 0.00 O ATOM 498 OD2 ASP A 31 6.596 -7.804 12.363 1.00 0.00 O ATOM 0 H ASP A 31 6.238 -6.291 7.779 1.00 0.00 H new ATOM 0 HA ASP A 31 3.995 -6.499 9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.863 -8.195 9.600 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.987 -6.920 10.028 1.00 0.00 H new ATOM 503 N ASN A 32 4.700 -4.602 11.257 1.00 0.00 N ATOM 504 CA ASN A 32 4.802 -3.325 11.972 1.00 0.00 C ATOM 505 C ASN A 32 3.922 -2.252 11.331 1.00 0.00 C ATOM 506 O ASN A 32 4.219 -1.061 11.416 1.00 0.00 O ATOM 507 CB ASN A 32 6.253 -2.831 12.058 1.00 0.00 C ATOM 508 CG ASN A 32 7.155 -3.785 12.815 1.00 0.00 C ATOM 509 OD1 ASN A 32 7.269 -3.717 14.039 1.00 0.00 O ATOM 510 ND2 ASN A 32 7.819 -4.671 12.089 1.00 0.00 N ATOM 0 H ASN A 32 4.158 -5.306 11.758 1.00 0.00 H new ATOM 0 HA ASN A 32 4.445 -3.508 12.985 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.644 -2.691 11.050 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.272 -1.856 12.546 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.453 -5.329 12.542 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.697 -4.695 11.077 1.00 0.00 H new ATOM 517 N TYR A 33 2.830 -2.671 10.705 1.00 0.00 N ATOM 518 CA TYR A 33 1.851 -1.727 10.172 1.00 0.00 C ATOM 519 C TYR A 33 0.439 -2.166 10.529 1.00 0.00 C ATOM 520 O TYR A 33 0.130 -3.354 10.528 1.00 0.00 O ATOM 521 CB TYR A 33 1.974 -1.579 8.652 1.00 0.00 C ATOM 522 CG TYR A 33 3.263 -0.936 8.190 1.00 0.00 C ATOM 523 CD1 TYR A 33 3.351 0.441 8.033 1.00 0.00 C ATOM 524 CD2 TYR A 33 4.385 -1.700 7.902 1.00 0.00 C ATOM 525 CE1 TYR A 33 4.518 1.039 7.605 1.00 0.00 C ATOM 526 CE2 TYR A 33 5.557 -1.110 7.473 1.00 0.00 C ATOM 527 CZ TYR A 33 5.618 0.260 7.325 1.00 0.00 C ATOM 528 OH TYR A 33 6.783 0.855 6.903 1.00 0.00 O ATOM 0 H TYR A 33 2.599 -3.653 10.553 1.00 0.00 H new ATOM 0 HA TYR A 33 2.057 -0.758 10.626 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.890 -2.565 8.195 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.135 -0.986 8.288 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.490 1.055 8.250 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.341 -2.773 8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.568 2.112 7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.422 -1.718 7.254 1.00 0.00 H new ATOM 0 HH TYR A 33 7.464 0.168 6.749 1.00 0.00 H new ATOM 538 N GLN A 34 -0.414 -1.205 10.833 1.00 0.00 N ATOM 539 CA GLN A 34 -1.792 -1.496 11.198 1.00 0.00 C ATOM 540 C GLN A 34 -2.752 -0.908 10.176 1.00 0.00 C ATOM 541 O GLN A 34 -2.469 0.125 9.566 1.00 0.00 O ATOM 542 CB GLN A 34 -2.092 -0.970 12.602 1.00 0.00 C ATOM 543 CG GLN A 34 -1.470 -1.825 13.693 1.00 0.00 C ATOM 544 CD GLN A 34 -1.582 -1.203 15.067 1.00 0.00 C ATOM 545 OE1 GLN A 34 -0.699 -0.464 15.494 1.00 0.00 O ATOM 546 NE2 GLN A 34 -2.662 -1.498 15.769 1.00 0.00 N ATOM 0 H GLN A 34 -0.178 -0.213 10.835 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.931 -2.577 11.204 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.721 0.051 12.690 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.171 -0.930 12.748 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.954 -2.802 13.702 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.418 -1.992 13.461 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.372 -2.116 15.377 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.786 -1.107 16.703 1.00 0.00 H new ATOM 555 N LEU A 35 -3.877 -1.577 9.987 1.00 0.00 N ATOM 556 CA LEU A 35 -4.829 -1.195 8.959 1.00 0.00 C ATOM 557 C LEU A 35 -6.027 -0.473 9.580 1.00 0.00 C ATOM 558 O LEU A 35 -6.493 -0.843 10.651 1.00 0.00 O ATOM 559 CB LEU A 35 -5.297 -2.449 8.207 1.00 0.00 C ATOM 560 CG LEU A 35 -5.860 -2.212 6.803 1.00 0.00 C ATOM 561 CD1 LEU A 35 -4.755 -1.787 5.854 1.00 0.00 C ATOM 562 CD2 LEU A 35 -6.540 -3.464 6.275 1.00 0.00 C ATOM 0 H LEU A 35 -4.154 -2.391 10.535 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.345 -0.513 8.260 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.456 -3.138 8.129 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.061 -2.945 8.806 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.600 -1.414 6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.172 -1.623 4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.301 -0.864 6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.997 -2.569 5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.932 -3.271 5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.818 -4.279 6.230 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.359 -3.741 6.939 1.00 0.00 H new ATOM 574 N TYR A 36 -6.494 0.575 8.922 1.00 0.00 N ATOM 575 CA TYR A 36 -7.714 1.262 9.318 1.00 0.00 C ATOM 576 C TYR A 36 -8.819 0.947 8.326 1.00 0.00 C ATOM 577 O TYR A 36 -8.604 0.995 7.113 1.00 0.00 O ATOM 578 CB TYR A 36 -7.521 2.778 9.359 1.00 0.00 C ATOM 579 CG TYR A 36 -6.523 3.266 10.379 1.00 0.00 C ATOM 580 CD1 TYR A 36 -6.751 3.110 11.741 1.00 0.00 C ATOM 581 CD2 TYR A 36 -5.359 3.900 9.977 1.00 0.00 C ATOM 582 CE1 TYR A 36 -5.842 3.573 12.673 1.00 0.00 C ATOM 583 CE2 TYR A 36 -4.448 4.368 10.900 1.00 0.00 C ATOM 584 CZ TYR A 36 -4.693 4.203 12.246 1.00 0.00 C ATOM 585 OH TYR A 36 -3.787 4.676 13.169 1.00 0.00 O ATOM 0 H TYR A 36 -6.040 0.973 8.100 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.977 0.915 10.317 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.204 3.116 8.372 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.484 3.246 9.562 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.653 2.619 12.076 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.162 4.030 8.923 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.031 3.442 13.728 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.546 4.862 10.570 1.00 0.00 H new ATOM 0 HH TYR A 36 -3.820 4.119 13.975 1.00 0.00 H new ATOM 595 N SER A 37 -9.993 0.643 8.833 1.00 0.00 N ATOM 596 CA SER A 37 -11.130 0.381 7.982 1.00 0.00 C ATOM 597 C SER A 37 -12.212 1.424 8.218 1.00 0.00 C ATOM 598 O SER A 37 -12.573 1.716 9.358 1.00 0.00 O ATOM 599 CB SER A 37 -11.673 -1.033 8.223 1.00 0.00 C ATOM 600 OG SER A 37 -11.954 -1.258 9.595 1.00 0.00 O ATOM 0 H SER A 37 -10.185 0.571 9.832 1.00 0.00 H new ATOM 0 HA SER A 37 -10.809 0.444 6.942 1.00 0.00 H new ATOM 0 HB2 SER A 37 -12.580 -1.180 7.637 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.946 -1.767 7.875 1.00 0.00 H new ATOM 0 HG SER A 37 -11.228 -0.891 10.142 1.00 0.00 H new ATOM 606 N LEU A 38 -12.675 2.025 7.137 1.00 0.00 N ATOM 607 CA LEU A 38 -13.819 2.918 7.193 1.00 0.00 C ATOM 608 C LEU A 38 -14.777 2.580 6.061 1.00 0.00 C ATOM 609 O LEU A 38 -15.651 3.368 5.695 1.00 0.00 O ATOM 610 CB LEU A 38 -13.396 4.398 7.152 1.00 0.00 C ATOM 611 CG LEU A 38 -12.444 4.818 6.028 1.00 0.00 C ATOM 612 CD1 LEU A 38 -12.537 6.317 5.816 1.00 0.00 C ATOM 613 CD2 LEU A 38 -11.005 4.445 6.359 1.00 0.00 C ATOM 0 H LEU A 38 -12.275 1.910 6.206 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.328 2.772 8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.298 5.006 7.077 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.925 4.642 8.104 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.737 4.293 5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.859 6.614 5.016 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.558 6.583 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -12.261 6.832 6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.352 4.755 5.543 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.701 4.947 7.278 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.930 3.366 6.493 1.00 0.00 H new ATOM 625 N GLY A 39 -14.592 1.384 5.514 1.00 0.00 N ATOM 626 CA GLY A 39 -15.507 0.859 4.522 1.00 0.00 C ATOM 627 C GLY A 39 -15.191 1.329 3.122 1.00 0.00 C ATOM 628 O GLY A 39 -14.927 0.522 2.232 1.00 0.00 O ATOM 0 H GLY A 39 -13.815 0.764 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.478 -0.230 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.523 1.157 4.779 1.00 0.00 H new ATOM 632 N HIS A 40 -15.205 2.636 2.924 1.00 0.00 N ATOM 633 CA HIS A 40 -15.034 3.197 1.592 1.00 0.00 C ATOM 634 C HIS A 40 -13.559 3.432 1.283 1.00 0.00 C ATOM 635 O HIS A 40 -13.211 3.871 0.189 1.00 0.00 O ATOM 636 CB HIS A 40 -15.810 4.506 1.470 1.00 0.00 C ATOM 637 CG HIS A 40 -16.388 4.736 0.107 1.00 0.00 C ATOM 638 ND1 HIS A 40 -17.692 4.425 -0.206 1.00 0.00 N ATOM 639 CD2 HIS A 40 -15.844 5.242 -1.024 1.00 0.00 C ATOM 640 CE1 HIS A 40 -17.927 4.732 -1.466 1.00 0.00 C ATOM 641 NE2 HIS A 40 -16.823 5.231 -1.986 1.00 0.00 N ATOM 0 H HIS A 40 -15.332 3.327 3.664 1.00 0.00 H new ATOM 0 HA HIS A 40 -15.424 2.481 0.869 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -16.617 4.510 2.203 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -15.148 5.335 1.720 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -14.829 5.590 -1.147 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -18.865 4.598 -1.985 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -16.714 5.556 -2.947 1.00 0.00 H new ATOM 650 N TYR A 41 -12.698 3.116 2.245 1.00 0.00 N ATOM 651 CA TYR A 41 -11.257 3.311 2.097 1.00 0.00 C ATOM 652 C TYR A 41 -10.515 2.375 3.039 1.00 0.00 C ATOM 653 O TYR A 41 -10.897 2.231 4.203 1.00 0.00 O ATOM 654 CB TYR A 41 -10.810 4.741 2.456 1.00 0.00 C ATOM 655 CG TYR A 41 -11.607 5.872 1.845 1.00 0.00 C ATOM 656 CD1 TYR A 41 -11.285 6.396 0.599 1.00 0.00 C ATOM 657 CD2 TYR A 41 -12.666 6.435 2.540 1.00 0.00 C ATOM 658 CE1 TYR A 41 -12.001 7.454 0.068 1.00 0.00 C ATOM 659 CE2 TYR A 41 -13.387 7.481 2.019 1.00 0.00 C ATOM 660 CZ TYR A 41 -13.052 7.991 0.783 1.00 0.00 C ATOM 661 OH TYR A 41 -13.764 9.047 0.268 1.00 0.00 O ATOM 0 H TYR A 41 -12.975 2.720 3.143 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.029 3.114 1.050 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -10.844 4.847 3.540 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -9.768 4.858 2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.465 5.972 0.038 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.929 6.043 3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.739 7.857 -0.899 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.212 7.902 2.575 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.470 9.303 0.897 1.00 0.00 H new ATOM 671 N PRO A 42 -9.475 1.696 2.543 1.00 0.00 N ATOM 672 CA PRO A 42 -8.523 0.993 3.378 1.00 0.00 C ATOM 673 C PRO A 42 -7.303 1.866 3.691 1.00 0.00 C ATOM 674 O PRO A 42 -6.618 2.346 2.781 1.00 0.00 O ATOM 675 CB PRO A 42 -8.128 -0.210 2.515 1.00 0.00 C ATOM 676 CG PRO A 42 -8.507 0.142 1.100 1.00 0.00 C ATOM 677 CD PRO A 42 -9.170 1.502 1.126 1.00 0.00 C ATOM 0 HA PRO A 42 -8.934 0.713 4.348 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.059 -0.410 2.593 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.646 -1.111 2.844 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.624 0.159 0.461 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.185 -0.606 0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.508 2.280 0.746 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.071 1.523 0.513 1.00 0.00 H new ATOM 685 N GLY A 43 -7.044 2.093 4.970 1.00 0.00 N ATOM 686 CA GLY A 43 -5.906 2.906 5.367 1.00 0.00 C ATOM 687 C GLY A 43 -4.872 2.092 6.114 1.00 0.00 C ATOM 688 O GLY A 43 -5.208 1.081 6.712 1.00 0.00 O ATOM 0 H GLY A 43 -7.601 1.729 5.744 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.450 3.351 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.247 3.727 5.997 1.00 0.00 H new ATOM 692 N ALA A 44 -3.618 2.518 6.088 1.00 0.00 N ATOM 693 CA ALA A 44 -2.554 1.778 6.757 1.00 0.00 C ATOM 694 C ALA A 44 -1.514 2.732 7.324 1.00 0.00 C ATOM 695 O ALA A 44 -1.262 3.785 6.741 1.00 0.00 O ATOM 696 CB ALA A 44 -1.910 0.802 5.788 1.00 0.00 C ATOM 0 H ALA A 44 -3.311 3.368 5.614 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.986 1.216 7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.117 0.254 6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.661 0.100 5.426 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.489 1.350 4.945 1.00 0.00 H new ATOM 702 N VAL A 45 -0.922 2.362 8.459 1.00 0.00 N ATOM 703 CA VAL A 45 0.071 3.201 9.135 1.00 0.00 C ATOM 704 C VAL A 45 1.079 2.338 9.880 1.00 0.00 C ATOM 705 O VAL A 45 0.832 1.154 10.108 1.00 0.00 O ATOM 706 CB VAL A 45 -0.566 4.164 10.167 1.00 0.00 C ATOM 707 CG1 VAL A 45 -1.498 5.163 9.506 1.00 0.00 C ATOM 708 CG2 VAL A 45 -1.290 3.380 11.253 1.00 0.00 C ATOM 0 H VAL A 45 -1.114 1.480 8.934 1.00 0.00 H new ATOM 0 HA VAL A 45 0.553 3.785 8.351 1.00 0.00 H new ATOM 0 HB VAL A 45 0.241 4.733 10.629 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.924 5.820 10.264 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.940 5.758 8.783 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.300 4.630 8.996 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.731 4.073 11.969 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.076 2.775 10.802 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.581 2.730 11.766 1.00 0.00 H new ATOM 718 N PRO A 46 2.225 2.915 10.272 1.00 0.00 N ATOM 719 CA PRO A 46 3.202 2.225 11.116 1.00 0.00 C ATOM 720 C PRO A 46 2.626 1.886 12.490 1.00 0.00 C ATOM 721 O PRO A 46 1.945 2.708 13.113 1.00 0.00 O ATOM 722 CB PRO A 46 4.350 3.231 11.257 1.00 0.00 C ATOM 723 CG PRO A 46 4.154 4.206 10.150 1.00 0.00 C ATOM 724 CD PRO A 46 2.673 4.272 9.918 1.00 0.00 C ATOM 0 HA PRO A 46 3.512 1.275 10.681 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.322 3.727 12.227 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.318 2.737 11.179 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.552 5.185 10.417 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.677 3.884 9.249 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.199 5.030 10.542 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.437 4.519 8.883 1.00 0.00 H new ATOM 732 N GLY A 47 2.894 0.678 12.951 1.00 0.00 N ATOM 733 CA GLY A 47 2.390 0.239 14.232 1.00 0.00 C ATOM 734 C GLY A 47 2.841 -1.165 14.562 1.00 0.00 C ATOM 735 O GLY A 47 4.039 -1.444 14.597 1.00 0.00 O ATOM 0 H GLY A 47 3.457 -0.013 12.456 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.731 0.922 15.010 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.301 0.279 14.227 1.00 0.00 H new ATOM 739 N ASN A 48 1.885 -2.049 14.797 1.00 0.00 N ATOM 740 CA ASN A 48 2.183 -3.439 15.108 1.00 0.00 C ATOM 741 C ASN A 48 1.156 -4.362 14.478 1.00 0.00 C ATOM 742 O ASN A 48 0.101 -4.631 15.051 1.00 0.00 O ATOM 743 CB ASN A 48 2.238 -3.670 16.620 1.00 0.00 C ATOM 744 CG ASN A 48 3.646 -3.580 17.183 1.00 0.00 C ATOM 745 OD1 ASN A 48 3.842 -3.138 18.316 1.00 0.00 O ATOM 746 ND2 ASN A 48 4.633 -4.029 16.417 1.00 0.00 N ATOM 0 H ASN A 48 0.890 -1.827 14.778 1.00 0.00 H new ATOM 0 HA ASN A 48 3.164 -3.667 14.691 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.606 -2.935 17.118 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.824 -4.652 16.847 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.593 -4.015 16.762 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.431 -4.388 15.484 1.00 0.00 H new ATOM 753 N GLY A 49 1.468 -4.815 13.281 1.00 0.00 N ATOM 754 CA GLY A 49 0.613 -5.738 12.569 1.00 0.00 C ATOM 755 C GLY A 49 1.205 -6.092 11.225 1.00 0.00 C ATOM 756 O GLY A 49 2.151 -5.444 10.781 1.00 0.00 O ATOM 0 H GLY A 49 2.316 -4.555 12.778 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.476 -6.643 13.160 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.373 -5.295 12.431 1.00 0.00 H new ATOM 760 N THR A 50 0.669 -7.105 10.574 1.00 0.00 N ATOM 761 CA THR A 50 1.172 -7.511 9.273 1.00 0.00 C ATOM 762 C THR A 50 0.111 -7.291 8.201 1.00 0.00 C ATOM 763 O THR A 50 -0.918 -7.969 8.179 1.00 0.00 O ATOM 764 CB THR A 50 1.611 -8.985 9.294 1.00 0.00 C ATOM 765 OG1 THR A 50 2.498 -9.200 10.403 1.00 0.00 O ATOM 766 CG2 THR A 50 2.312 -9.368 7.999 1.00 0.00 C ATOM 0 H THR A 50 -0.112 -7.662 10.921 1.00 0.00 H new ATOM 0 HA THR A 50 2.041 -6.897 9.037 1.00 0.00 H new ATOM 0 HB THR A 50 0.723 -9.609 9.398 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.957 -8.362 10.622 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.611 -10.415 8.043 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.633 -9.219 7.160 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.196 -8.744 7.865 1.00 0.00 H new ATOM 774 N VAL A 51 0.365 -6.336 7.319 1.00 0.00 N ATOM 775 CA VAL A 51 -0.606 -5.955 6.303 1.00 0.00 C ATOM 776 C VAL A 51 -0.503 -6.861 5.082 1.00 0.00 C ATOM 777 O VAL A 51 0.539 -6.921 4.427 1.00 0.00 O ATOM 778 CB VAL A 51 -0.424 -4.482 5.868 1.00 0.00 C ATOM 779 CG1 VAL A 51 -1.445 -4.092 4.813 1.00 0.00 C ATOM 780 CG2 VAL A 51 -0.520 -3.561 7.070 1.00 0.00 C ATOM 0 H VAL A 51 1.238 -5.809 7.286 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.594 -6.067 6.749 1.00 0.00 H new ATOM 0 HB VAL A 51 0.568 -4.379 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.293 -3.051 4.526 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.326 -4.731 3.938 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.450 -4.214 5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.390 -2.528 6.748 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.498 -3.675 7.538 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.259 -3.818 7.788 1.00 0.00 H new ATOM 790 N HIS A 52 -1.586 -7.566 4.790 1.00 0.00 N ATOM 791 CA HIS A 52 -1.643 -8.449 3.636 1.00 0.00 C ATOM 792 C HIS A 52 -1.884 -7.630 2.375 1.00 0.00 C ATOM 793 O HIS A 52 -3.020 -7.255 2.084 1.00 0.00 O ATOM 794 CB HIS A 52 -2.766 -9.483 3.799 1.00 0.00 C ATOM 795 CG HIS A 52 -2.621 -10.379 4.989 1.00 0.00 C ATOM 796 ND1 HIS A 52 -2.093 -11.651 4.918 1.00 0.00 N ATOM 797 CD2 HIS A 52 -2.960 -10.189 6.285 1.00 0.00 C ATOM 798 CE1 HIS A 52 -2.117 -12.203 6.116 1.00 0.00 C ATOM 799 NE2 HIS A 52 -2.637 -11.337 6.965 1.00 0.00 N ATOM 0 H HIS A 52 -2.443 -7.542 5.342 1.00 0.00 H new ATOM 0 HA HIS A 52 -0.692 -8.976 3.556 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.718 -8.957 3.870 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.808 -10.098 2.900 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.403 -9.299 6.707 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.770 -13.196 6.361 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.776 -11.495 7.963 1.00 0.00 H new ATOM 808 N GLY A 53 -0.821 -7.327 1.643 1.00 0.00 N ATOM 809 CA GLY A 53 -0.965 -6.507 0.460 1.00 0.00 C ATOM 810 C GLY A 53 -0.287 -7.088 -0.762 1.00 0.00 C ATOM 811 O GLY A 53 0.438 -8.082 -0.674 1.00 0.00 O ATOM 0 H GLY A 53 0.131 -7.632 1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.026 -6.372 0.248 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.552 -5.518 0.660 1.00 0.00 H new ATOM 815 N GLU A 54 -0.529 -6.455 -1.902 1.00 0.00 N ATOM 816 CA GLU A 54 0.051 -6.867 -3.168 1.00 0.00 C ATOM 817 C GLU A 54 0.890 -5.734 -3.747 1.00 0.00 C ATOM 818 O GLU A 54 0.457 -4.581 -3.775 1.00 0.00 O ATOM 819 CB GLU A 54 -1.037 -7.239 -4.187 1.00 0.00 C ATOM 820 CG GLU A 54 -1.968 -8.370 -3.767 1.00 0.00 C ATOM 821 CD GLU A 54 -2.986 -7.961 -2.720 1.00 0.00 C ATOM 822 OE1 GLU A 54 -3.437 -6.797 -2.744 1.00 0.00 O ATOM 823 OE2 GLU A 54 -3.351 -8.814 -1.884 1.00 0.00 O ATOM 0 H GLU A 54 -1.136 -5.638 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 54 0.672 -7.742 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.638 -6.353 -4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.554 -7.518 -5.123 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.493 -8.743 -4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.371 -9.195 -3.379 1.00 0.00 H new ATOM 830 N VAL A 55 2.087 -6.052 -4.205 1.00 0.00 N ATOM 831 CA VAL A 55 2.923 -5.058 -4.862 1.00 0.00 C ATOM 832 C VAL A 55 2.662 -5.081 -6.365 1.00 0.00 C ATOM 833 O VAL A 55 2.838 -6.112 -7.021 1.00 0.00 O ATOM 834 CB VAL A 55 4.425 -5.290 -4.584 1.00 0.00 C ATOM 835 CG1 VAL A 55 5.266 -4.158 -5.155 1.00 0.00 C ATOM 836 CG2 VAL A 55 4.672 -5.436 -3.093 1.00 0.00 C ATOM 0 H VAL A 55 2.501 -6.981 -4.136 1.00 0.00 H new ATOM 0 HA VAL A 55 2.662 -4.081 -4.455 1.00 0.00 H new ATOM 0 HB VAL A 55 4.722 -6.215 -5.078 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.319 -4.346 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.115 -4.101 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.967 -3.216 -4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.735 -5.599 -2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.353 -4.528 -2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.106 -6.286 -2.712 1.00 0.00 H new ATOM 846 N TYR A 56 2.223 -3.954 -6.906 1.00 0.00 N ATOM 847 CA TYR A 56 1.870 -3.882 -8.316 1.00 0.00 C ATOM 848 C TYR A 56 2.741 -2.889 -9.072 1.00 0.00 C ATOM 849 O TYR A 56 3.315 -1.966 -8.489 1.00 0.00 O ATOM 850 CB TYR A 56 0.402 -3.485 -8.491 1.00 0.00 C ATOM 851 CG TYR A 56 -0.568 -4.644 -8.477 1.00 0.00 C ATOM 852 CD1 TYR A 56 -0.832 -5.355 -9.640 1.00 0.00 C ATOM 853 CD2 TYR A 56 -1.233 -5.014 -7.315 1.00 0.00 C ATOM 854 CE1 TYR A 56 -1.728 -6.402 -9.648 1.00 0.00 C ATOM 855 CE2 TYR A 56 -2.131 -6.064 -7.313 1.00 0.00 C ATOM 856 CZ TYR A 56 -2.376 -6.756 -8.481 1.00 0.00 C ATOM 857 OH TYR A 56 -3.275 -7.801 -8.483 1.00 0.00 O ATOM 0 H TYR A 56 2.103 -3.081 -6.393 1.00 0.00 H new ATOM 0 HA TYR A 56 2.036 -4.877 -8.729 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.130 -2.790 -7.696 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.294 -2.949 -9.434 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.326 -5.083 -10.555 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.045 -4.473 -6.399 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.922 -6.943 -10.562 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.639 -6.342 -6.401 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.063 -8.416 -7.751 1.00 0.00 H new ATOM 867 N ARG A 57 2.809 -3.087 -10.379 1.00 0.00 N ATOM 868 CA ARG A 57 3.531 -2.196 -11.267 1.00 0.00 C ATOM 869 C ARG A 57 2.614 -1.751 -12.404 1.00 0.00 C ATOM 870 O ARG A 57 2.046 -2.579 -13.112 1.00 0.00 O ATOM 871 CB ARG A 57 4.776 -2.906 -11.819 1.00 0.00 C ATOM 872 CG ARG A 57 5.595 -2.085 -12.811 1.00 0.00 C ATOM 873 CD ARG A 57 5.151 -2.334 -14.248 1.00 0.00 C ATOM 874 NE ARG A 57 5.885 -1.516 -15.214 1.00 0.00 N ATOM 875 CZ ARG A 57 6.020 -1.832 -16.504 1.00 0.00 C ATOM 876 NH1 ARG A 57 5.536 -2.981 -16.964 1.00 0.00 N ATOM 877 NH2 ARG A 57 6.654 -1.008 -17.329 1.00 0.00 N ATOM 0 H ARG A 57 2.363 -3.873 -10.853 1.00 0.00 H new ATOM 0 HA ARG A 57 3.854 -1.314 -10.714 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.418 -3.186 -10.983 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.464 -3.831 -12.305 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.495 -1.025 -12.577 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.651 -2.336 -12.707 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.290 -3.388 -14.490 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.085 -2.125 -14.336 1.00 0.00 H new ATOM 0 HE ARG A 57 6.319 -0.654 -14.883 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.060 -3.624 -16.331 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.640 -3.220 -17.950 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.039 -0.131 -16.978 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.756 -1.251 -18.314 1.00 0.00 H new ATOM 891 N ILE A 58 2.468 -0.445 -12.557 1.00 0.00 N ATOM 892 CA ILE A 58 1.682 0.130 -13.642 1.00 0.00 C ATOM 893 C ILE A 58 2.429 1.310 -14.250 1.00 0.00 C ATOM 894 O ILE A 58 3.586 1.543 -13.905 1.00 0.00 O ATOM 895 CB ILE A 58 0.275 0.576 -13.171 1.00 0.00 C ATOM 896 CG1 ILE A 58 0.276 1.019 -11.698 1.00 0.00 C ATOM 897 CG2 ILE A 58 -0.735 -0.540 -13.384 1.00 0.00 C ATOM 898 CD1 ILE A 58 0.987 2.330 -11.439 1.00 0.00 C ATOM 0 H ILE A 58 2.889 0.246 -11.936 1.00 0.00 H new ATOM 0 HA ILE A 58 1.541 -0.645 -14.395 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.012 1.438 -13.774 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.756 1.106 -11.357 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.746 0.240 -11.097 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.718 -0.210 -13.048 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.780 -0.793 -14.443 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.432 -1.418 -12.814 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.939 2.566 -10.376 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.030 2.245 -11.746 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.505 3.124 -12.009 1.00 0.00 H new ATOM 910 N ASP A 59 1.793 2.027 -15.172 1.00 0.00 N ATOM 911 CA ASP A 59 2.378 3.243 -15.755 1.00 0.00 C ATOM 912 C ASP A 59 2.827 4.203 -14.657 1.00 0.00 C ATOM 913 O ASP A 59 2.287 4.189 -13.551 1.00 0.00 O ATOM 914 CB ASP A 59 1.363 3.974 -16.638 1.00 0.00 C ATOM 915 CG ASP A 59 0.666 3.070 -17.628 1.00 0.00 C ATOM 916 OD1 ASP A 59 -0.279 2.361 -17.217 1.00 0.00 O ATOM 917 OD2 ASP A 59 1.031 3.090 -18.819 1.00 0.00 O ATOM 0 H ASP A 59 0.870 1.791 -15.536 1.00 0.00 H new ATOM 0 HA ASP A 59 3.232 2.932 -16.356 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.616 4.449 -16.002 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.872 4.770 -17.181 1.00 0.00 H new ATOM 922 N ASN A 60 3.815 5.035 -14.943 1.00 0.00 N ATOM 923 CA ASN A 60 4.204 6.075 -13.992 1.00 0.00 C ATOM 924 C ASN A 60 3.055 7.074 -13.838 1.00 0.00 C ATOM 925 O ASN A 60 2.758 7.540 -12.736 1.00 0.00 O ATOM 926 CB ASN A 60 5.484 6.806 -14.429 1.00 0.00 C ATOM 927 CG ASN A 60 5.361 7.489 -15.778 1.00 0.00 C ATOM 928 OD1 ASN A 60 4.717 6.975 -16.692 1.00 0.00 O ATOM 929 ND2 ASN A 60 5.958 8.661 -15.904 1.00 0.00 N ATOM 0 H ASN A 60 4.356 5.017 -15.807 1.00 0.00 H new ATOM 0 HA ASN A 60 4.415 5.597 -13.036 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.743 7.551 -13.676 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.306 6.091 -14.466 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.894 9.174 -16.783 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.483 9.053 -15.122 1.00 0.00 H new ATOM 936 N ALA A 61 2.395 7.370 -14.958 1.00 0.00 N ATOM 937 CA ALA A 61 1.252 8.273 -14.974 1.00 0.00 C ATOM 938 C ALA A 61 0.071 7.673 -14.218 1.00 0.00 C ATOM 939 O ALA A 61 -0.604 8.365 -13.465 1.00 0.00 O ATOM 940 CB ALA A 61 0.855 8.594 -16.408 1.00 0.00 C ATOM 0 H ALA A 61 2.639 6.991 -15.873 1.00 0.00 H new ATOM 0 HA ALA A 61 1.540 9.197 -14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.000 9.270 -16.406 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.692 9.069 -16.919 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.589 7.673 -16.927 1.00 0.00 H new ATOM 946 N THR A 62 -0.179 6.387 -14.438 1.00 0.00 N ATOM 947 CA THR A 62 -1.231 5.664 -13.726 1.00 0.00 C ATOM 948 C THR A 62 -1.030 5.737 -12.208 1.00 0.00 C ATOM 949 O THR A 62 -1.992 5.730 -11.438 1.00 0.00 O ATOM 950 CB THR A 62 -1.286 4.196 -14.185 1.00 0.00 C ATOM 951 OG1 THR A 62 -1.509 4.153 -15.599 1.00 0.00 O ATOM 952 CG2 THR A 62 -2.390 3.431 -13.473 1.00 0.00 C ATOM 0 H THR A 62 0.337 5.818 -15.109 1.00 0.00 H new ATOM 0 HA THR A 62 -2.180 6.143 -13.965 1.00 0.00 H new ATOM 0 HB THR A 62 -0.336 3.724 -13.937 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.099 3.344 -15.970 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.400 2.398 -13.821 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.211 3.450 -12.398 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.352 3.896 -13.688 1.00 0.00 H new ATOM 960 N LEU A 63 0.223 5.830 -11.783 1.00 0.00 N ATOM 961 CA LEU A 63 0.532 5.989 -10.371 1.00 0.00 C ATOM 962 C LEU A 63 -0.001 7.340 -9.905 1.00 0.00 C ATOM 963 O LEU A 63 -0.696 7.435 -8.894 1.00 0.00 O ATOM 964 CB LEU A 63 2.051 5.877 -10.154 1.00 0.00 C ATOM 965 CG LEU A 63 2.524 5.616 -8.714 1.00 0.00 C ATOM 966 CD1 LEU A 63 2.436 6.868 -7.857 1.00 0.00 C ATOM 967 CD2 LEU A 63 1.722 4.486 -8.091 1.00 0.00 C ATOM 0 H LEU A 63 1.039 5.798 -12.395 1.00 0.00 H new ATOM 0 HA LEU A 63 0.057 5.203 -9.785 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.427 5.073 -10.787 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.514 6.800 -10.502 1.00 0.00 H new ATOM 0 HG LEU A 63 3.573 5.323 -8.758 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.779 6.643 -6.847 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.063 7.648 -8.287 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.402 7.212 -7.821 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.068 4.313 -7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.666 4.755 -8.075 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.856 3.578 -8.679 1.00 0.00 H new ATOM 979 N ALA A 64 0.311 8.377 -10.676 1.00 0.00 N ATOM 980 CA ALA A 64 -0.213 9.714 -10.418 1.00 0.00 C ATOM 981 C ALA A 64 -1.731 9.761 -10.621 1.00 0.00 C ATOM 982 O ALA A 64 -2.409 10.652 -10.110 1.00 0.00 O ATOM 983 CB ALA A 64 0.474 10.735 -11.314 1.00 0.00 C ATOM 0 H ALA A 64 0.926 8.317 -11.487 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.004 9.963 -9.378 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.072 11.727 -11.110 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.546 10.730 -11.116 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.297 10.480 -12.359 1.00 0.00 H new ATOM 989 N GLU A 65 -2.256 8.803 -11.378 1.00 0.00 N ATOM 990 CA GLU A 65 -3.693 8.697 -11.606 1.00 0.00 C ATOM 991 C GLU A 65 -4.386 8.192 -10.345 1.00 0.00 C ATOM 992 O GLU A 65 -5.365 8.779 -9.885 1.00 0.00 O ATOM 993 CB GLU A 65 -3.974 7.766 -12.794 1.00 0.00 C ATOM 994 CG GLU A 65 -5.452 7.496 -13.053 1.00 0.00 C ATOM 995 CD GLU A 65 -5.694 6.823 -14.394 1.00 0.00 C ATOM 996 OE1 GLU A 65 -5.545 5.581 -14.494 1.00 0.00 O ATOM 997 OE2 GLU A 65 -6.023 7.539 -15.362 1.00 0.00 O ATOM 0 H GLU A 65 -1.704 8.085 -11.847 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.090 9.684 -11.845 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.535 8.201 -13.692 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.469 6.815 -12.621 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.848 6.865 -12.257 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.002 8.437 -13.018 1.00 0.00 H new ATOM 1004 N LEU A 66 -3.854 7.116 -9.780 1.00 0.00 N ATOM 1005 CA LEU A 66 -4.372 6.572 -8.531 1.00 0.00 C ATOM 1006 C LEU A 66 -4.158 7.587 -7.411 1.00 0.00 C ATOM 1007 O LEU A 66 -5.000 7.740 -6.524 1.00 0.00 O ATOM 1008 CB LEU A 66 -3.677 5.238 -8.212 1.00 0.00 C ATOM 1009 CG LEU A 66 -4.331 4.374 -7.122 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -3.924 2.920 -7.293 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -3.944 4.856 -5.729 1.00 0.00 C ATOM 0 H LEU A 66 -3.063 6.602 -10.167 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.441 6.380 -8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.625 4.651 -9.129 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.651 5.450 -7.911 1.00 0.00 H new ATOM 0 HG LEU A 66 -5.412 4.464 -7.227 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.393 2.317 -6.515 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.246 2.565 -8.272 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.840 2.834 -7.215 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.422 4.225 -4.980 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.862 4.801 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.271 5.887 -5.597 1.00 0.00 H new ATOM 1023 N ASP A 67 -3.029 8.283 -7.478 1.00 0.00 N ATOM 1024 CA ASP A 67 -2.715 9.355 -6.535 1.00 0.00 C ATOM 1025 C ASP A 67 -3.798 10.424 -6.553 1.00 0.00 C ATOM 1026 O ASP A 67 -4.388 10.746 -5.520 1.00 0.00 O ATOM 1027 CB ASP A 67 -1.373 9.991 -6.898 1.00 0.00 C ATOM 1028 CG ASP A 67 -1.009 11.159 -6.001 1.00 0.00 C ATOM 1029 OD1 ASP A 67 -0.428 10.923 -4.922 1.00 0.00 O ATOM 1030 OD2 ASP A 67 -1.280 12.315 -6.389 1.00 0.00 O ATOM 0 H ASP A 67 -2.308 8.123 -8.182 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.661 8.924 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.590 9.235 -6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.407 10.331 -7.933 1.00 0.00 H new ATOM 1035 N ALA A 68 -4.069 10.942 -7.742 1.00 0.00 N ATOM 1036 CA ALA A 68 -5.031 12.018 -7.921 1.00 0.00 C ATOM 1037 C ALA A 68 -6.432 11.595 -7.498 1.00 0.00 C ATOM 1038 O ALA A 68 -7.239 12.422 -7.077 1.00 0.00 O ATOM 1039 CB ALA A 68 -5.030 12.469 -9.368 1.00 0.00 C ATOM 0 H ALA A 68 -3.629 10.629 -8.607 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.734 12.849 -7.282 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.752 13.275 -9.498 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.036 12.825 -9.637 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.302 11.631 -10.010 1.00 0.00 H new ATOM 1045 N LEU A 69 -6.712 10.308 -7.612 1.00 0.00 N ATOM 1046 CA LEU A 69 -8.004 9.772 -7.220 1.00 0.00 C ATOM 1047 C LEU A 69 -8.102 9.590 -5.712 1.00 0.00 C ATOM 1048 O LEU A 69 -9.081 9.999 -5.089 1.00 0.00 O ATOM 1049 CB LEU A 69 -8.263 8.439 -7.926 1.00 0.00 C ATOM 1050 CG LEU A 69 -8.848 8.560 -9.331 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -8.973 7.188 -9.976 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -10.202 9.248 -9.262 1.00 0.00 C ATOM 0 H LEU A 69 -6.059 9.613 -7.974 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.764 10.493 -7.521 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.325 7.887 -7.985 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.943 7.847 -7.314 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.178 9.161 -9.946 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.392 7.293 -10.977 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.988 6.726 -10.041 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.629 6.561 -9.372 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.618 9.334 -10.266 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.877 8.662 -8.638 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.083 10.243 -8.832 1.00 0.00 H new ATOM 1064 N ARG A 70 -7.084 8.984 -5.125 1.00 0.00 N ATOM 1065 CA ARG A 70 -7.144 8.628 -3.720 1.00 0.00 C ATOM 1066 C ARG A 70 -6.812 9.811 -2.811 1.00 0.00 C ATOM 1067 O ARG A 70 -7.552 10.099 -1.872 1.00 0.00 O ATOM 1068 CB ARG A 70 -6.209 7.451 -3.422 1.00 0.00 C ATOM 1069 CG ARG A 70 -6.122 7.106 -1.942 1.00 0.00 C ATOM 1070 CD ARG A 70 -5.275 5.866 -1.695 1.00 0.00 C ATOM 1071 NE ARG A 70 -5.038 5.645 -0.268 1.00 0.00 N ATOM 1072 CZ ARG A 70 -5.486 4.589 0.413 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -6.219 3.662 -0.187 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -5.199 4.460 1.699 1.00 0.00 N ATOM 0 H ARG A 70 -6.215 8.731 -5.595 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.171 8.331 -3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.553 6.575 -3.972 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.211 7.687 -3.791 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.698 7.949 -1.397 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.125 6.944 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -5.774 4.995 -2.120 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.320 5.970 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.495 6.344 0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.445 3.753 -1.178 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -6.557 2.858 0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.635 5.168 2.169 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.542 3.653 2.220 1.00 0.00 H new ATOM 1088 N THR A 71 -5.712 10.497 -3.081 1.00 0.00 N ATOM 1089 CA THR A 71 -5.248 11.536 -2.169 1.00 0.00 C ATOM 1090 C THR A 71 -5.484 12.931 -2.748 1.00 0.00 C ATOM 1091 O THR A 71 -5.727 13.878 -2.000 1.00 0.00 O ATOM 1092 CB THR A 71 -3.755 11.342 -1.795 1.00 0.00 C ATOM 1093 OG1 THR A 71 -3.397 12.189 -0.698 1.00 0.00 O ATOM 1094 CG2 THR A 71 -2.835 11.641 -2.966 1.00 0.00 C ATOM 0 H THR A 71 -5.132 10.359 -3.908 1.00 0.00 H new ATOM 0 HA THR A 71 -5.835 11.446 -1.255 1.00 0.00 H new ATOM 0 HB THR A 71 -3.633 10.296 -1.514 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.582 11.848 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.799 11.493 -2.662 1.00 0.00 H new ATOM 0 HG22 THR A 71 -3.069 10.971 -3.793 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.976 12.674 -3.285 1.00 0.00 H new ATOM 1102 N ARG A 72 -5.429 13.033 -4.080 1.00 0.00 N ATOM 1103 CA ARG A 72 -5.670 14.281 -4.806 1.00 0.00 C ATOM 1104 C ARG A 72 -4.814 15.441 -4.277 1.00 0.00 C ATOM 1105 O ARG A 72 -3.684 15.636 -4.717 1.00 0.00 O ATOM 1106 CB ARG A 72 -7.159 14.630 -4.765 1.00 0.00 C ATOM 1107 CG ARG A 72 -7.546 15.831 -5.613 1.00 0.00 C ATOM 1108 CD ARG A 72 -7.156 15.652 -7.072 1.00 0.00 C ATOM 1109 NE ARG A 72 -7.617 16.770 -7.894 1.00 0.00 N ATOM 1110 CZ ARG A 72 -6.924 17.303 -8.899 1.00 0.00 C ATOM 1111 NH1 ARG A 72 -5.728 16.824 -9.227 1.00 0.00 N ATOM 1112 NH2 ARG A 72 -7.434 18.325 -9.576 1.00 0.00 N ATOM 0 H ARG A 72 -5.214 12.243 -4.689 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.370 14.125 -5.842 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.732 13.765 -5.099 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.446 14.823 -3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.622 15.992 -5.543 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.064 16.724 -5.216 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -6.072 15.564 -7.151 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -7.580 14.722 -7.451 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.532 17.169 -7.683 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.332 16.041 -8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.206 17.240 -9.998 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.350 18.696 -9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.910 18.739 -10.347 1.00 0.00 H new ATOM 1126 N GLY A 73 -5.346 16.184 -3.312 1.00 0.00 N ATOM 1127 CA GLY A 73 -4.656 17.355 -2.802 1.00 0.00 C ATOM 1128 C GLY A 73 -3.797 17.041 -1.595 1.00 0.00 C ATOM 1129 O GLY A 73 -3.528 17.914 -0.771 1.00 0.00 O ATOM 0 H GLY A 73 -6.247 15.995 -2.872 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -4.031 17.776 -3.589 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.388 18.117 -2.535 1.00 0.00 H new ATOM 1133 N GLY A 74 -3.376 15.792 -1.491 1.00 0.00 N ATOM 1134 CA GLY A 74 -2.543 15.384 -0.383 1.00 0.00 C ATOM 1135 C GLY A 74 -3.343 15.168 0.885 1.00 0.00 C ATOM 1136 O GLY A 74 -2.931 15.597 1.965 1.00 0.00 O ATOM 0 H GLY A 74 -3.597 15.051 -2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.021 14.463 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.781 16.143 -0.205 1.00 0.00 H new ATOM 1140 N GLU A 75 -4.498 14.519 0.750 1.00 0.00 N ATOM 1141 CA GLU A 75 -5.321 14.173 1.905 1.00 0.00 C ATOM 1142 C GLU A 75 -4.609 13.110 2.736 1.00 0.00 C ATOM 1143 O GLU A 75 -4.746 13.055 3.959 1.00 0.00 O ATOM 1144 CB GLU A 75 -6.703 13.671 1.456 1.00 0.00 C ATOM 1145 CG GLU A 75 -7.672 13.427 2.605 1.00 0.00 C ATOM 1146 CD GLU A 75 -9.077 13.096 2.133 1.00 0.00 C ATOM 1147 OE1 GLU A 75 -9.841 14.039 1.817 1.00 0.00 O ATOM 1148 OE2 GLU A 75 -9.428 11.898 2.073 1.00 0.00 O ATOM 0 H GLU A 75 -4.884 14.223 -0.147 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.470 15.064 2.515 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.140 14.400 0.773 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.578 12.745 0.896 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.299 12.609 3.221 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.706 14.313 3.239 1.00 0.00 H new ATOM 1155 N TYR A 76 -3.838 12.274 2.056 1.00 0.00 N ATOM 1156 CA TYR A 76 -3.055 11.237 2.708 1.00 0.00 C ATOM 1157 C TYR A 76 -1.578 11.465 2.418 1.00 0.00 C ATOM 1158 O TYR A 76 -1.234 12.154 1.457 1.00 0.00 O ATOM 1159 CB TYR A 76 -3.473 9.849 2.208 1.00 0.00 C ATOM 1160 CG TYR A 76 -4.969 9.644 2.173 1.00 0.00 C ATOM 1161 CD1 TYR A 76 -5.757 9.919 3.283 1.00 0.00 C ATOM 1162 CD2 TYR A 76 -5.597 9.191 1.021 1.00 0.00 C ATOM 1163 CE1 TYR A 76 -7.126 9.747 3.245 1.00 0.00 C ATOM 1164 CE2 TYR A 76 -6.964 9.017 0.977 1.00 0.00 C ATOM 1165 CZ TYR A 76 -7.724 9.295 2.090 1.00 0.00 C ATOM 1166 OH TYR A 76 -9.088 9.126 2.046 1.00 0.00 O ATOM 0 H TYR A 76 -3.738 12.296 1.041 1.00 0.00 H new ATOM 0 HA TYR A 76 -3.232 11.284 3.783 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.070 9.696 1.207 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -3.026 9.091 2.851 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.291 10.273 4.191 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.005 8.971 0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.725 9.966 4.117 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.437 8.664 0.072 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.526 10.002 2.045 1.00 0.00 H new ATOM 1176 N ALA A 77 -0.715 10.892 3.239 1.00 0.00 N ATOM 1177 CA ALA A 77 0.722 11.045 3.055 1.00 0.00 C ATOM 1178 C ALA A 77 1.314 9.806 2.401 1.00 0.00 C ATOM 1179 O ALA A 77 1.133 8.687 2.889 1.00 0.00 O ATOM 1180 CB ALA A 77 1.405 11.322 4.385 1.00 0.00 C ATOM 0 H ALA A 77 -0.981 10.317 4.039 1.00 0.00 H new ATOM 0 HA ALA A 77 0.893 11.896 2.396 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.478 11.433 4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.005 12.240 4.815 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.223 10.492 5.067 1.00 0.00 H new ATOM 1186 N ARG A 78 2.004 10.005 1.289 1.00 0.00 N ATOM 1187 CA ARG A 78 2.648 8.904 0.590 1.00 0.00 C ATOM 1188 C ARG A 78 3.950 8.525 1.268 1.00 0.00 C ATOM 1189 O ARG A 78 4.842 9.349 1.470 1.00 0.00 O ATOM 1190 CB ARG A 78 2.892 9.245 -0.888 1.00 0.00 C ATOM 1191 CG ARG A 78 3.724 10.499 -1.108 1.00 0.00 C ATOM 1192 CD ARG A 78 4.163 10.647 -2.557 1.00 0.00 C ATOM 1193 NE ARG A 78 3.037 10.754 -3.485 1.00 0.00 N ATOM 1194 CZ ARG A 78 3.172 10.969 -4.794 1.00 0.00 C ATOM 1195 NH1 ARG A 78 4.381 11.132 -5.328 1.00 0.00 N ATOM 1196 NH2 ARG A 78 2.100 11.038 -5.568 1.00 0.00 N ATOM 0 H ARG A 78 2.132 10.917 0.852 1.00 0.00 H new ATOM 0 HA ARG A 78 1.974 8.049 0.630 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.391 8.402 -1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.930 9.369 -1.385 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.145 11.374 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.603 10.468 -0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.791 11.533 -2.652 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.776 9.790 -2.835 1.00 0.00 H new ATOM 0 HE ARG A 78 2.094 10.659 -3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.210 11.093 -4.735 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.478 11.296 -6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 78 1.171 10.927 -5.163 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.204 11.203 -6.569 1.00 0.00 H new ATOM 1210 N GLN A 79 4.026 7.269 1.634 1.00 0.00 N ATOM 1211 CA GLN A 79 5.212 6.705 2.222 1.00 0.00 C ATOM 1212 C GLN A 79 5.907 5.853 1.180 1.00 0.00 C ATOM 1213 O GLN A 79 5.248 5.242 0.342 1.00 0.00 O ATOM 1214 CB GLN A 79 4.833 5.838 3.414 1.00 0.00 C ATOM 1215 CG GLN A 79 5.419 6.298 4.737 1.00 0.00 C ATOM 1216 CD GLN A 79 5.235 5.274 5.843 1.00 0.00 C ATOM 1217 OE1 GLN A 79 6.022 5.213 6.788 1.00 0.00 O ATOM 1218 NE2 GLN A 79 4.206 4.447 5.723 1.00 0.00 N ATOM 0 H GLN A 79 3.259 6.605 1.530 1.00 0.00 H new ATOM 0 HA GLN A 79 5.874 7.502 2.560 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.747 5.815 3.500 1.00 0.00 H new ATOM 0 HB3 GLN A 79 5.159 4.816 3.222 1.00 0.00 H new ATOM 0 HG2 GLN A 79 6.482 6.502 4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.948 7.236 5.033 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.576 4.529 4.925 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.044 3.728 6.429 1.00 0.00 H new ATOM 1227 N LEU A 80 7.218 5.815 1.207 1.00 0.00 N ATOM 1228 CA LEU A 80 7.939 4.984 0.270 1.00 0.00 C ATOM 1229 C LEU A 80 8.596 3.826 0.995 1.00 0.00 C ATOM 1230 O LEU A 80 9.506 4.019 1.804 1.00 0.00 O ATOM 1231 CB LEU A 80 8.979 5.786 -0.500 1.00 0.00 C ATOM 1232 CG LEU A 80 9.668 5.001 -1.614 1.00 0.00 C ATOM 1233 CD1 LEU A 80 8.650 4.506 -2.629 1.00 0.00 C ATOM 1234 CD2 LEU A 80 10.711 5.855 -2.305 1.00 0.00 C ATOM 0 H LEU A 80 7.801 6.341 1.857 1.00 0.00 H new ATOM 0 HA LEU A 80 7.222 4.592 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.499 6.664 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.735 6.146 0.198 1.00 0.00 H new ATOM 0 HG LEU A 80 10.162 4.141 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.161 3.949 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.929 3.856 -2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.130 5.358 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.190 5.276 -3.095 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.233 6.734 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.462 6.170 -1.580 1.00 0.00 H new ATOM 1246 N ILE A 81 8.123 2.626 0.708 1.00 0.00 N ATOM 1247 CA ILE A 81 8.614 1.437 1.369 1.00 0.00 C ATOM 1248 C ILE A 81 9.415 0.586 0.399 1.00 0.00 C ATOM 1249 O ILE A 81 9.076 0.474 -0.781 1.00 0.00 O ATOM 1250 CB ILE A 81 7.458 0.619 1.973 1.00 0.00 C ATOM 1251 CG1 ILE A 81 6.417 0.283 0.902 1.00 0.00 C ATOM 1252 CG2 ILE A 81 6.823 1.410 3.107 1.00 0.00 C ATOM 1253 CD1 ILE A 81 5.365 -0.703 1.357 1.00 0.00 C ATOM 0 H ILE A 81 7.394 2.452 0.016 1.00 0.00 H new ATOM 0 HA ILE A 81 9.267 1.749 2.184 1.00 0.00 H new ATOM 0 HB ILE A 81 7.849 -0.320 2.364 1.00 0.00 H new ATOM 0 HG12 ILE A 81 5.926 1.203 0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 81 6.927 -0.123 0.028 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.004 0.834 3.538 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.570 1.608 3.875 1.00 0.00 H new ATOM 0 HG23 ILE A 81 6.439 2.355 2.721 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.665 -0.890 0.543 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.844 -1.639 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.827 -0.293 2.211 1.00 0.00 H new ATOM 1265 N GLN A 82 10.496 0.009 0.888 1.00 0.00 N ATOM 1266 CA GLN A 82 11.403 -0.736 0.033 1.00 0.00 C ATOM 1267 C GLN A 82 11.015 -2.199 -0.011 1.00 0.00 C ATOM 1268 O GLN A 82 11.254 -2.947 0.935 1.00 0.00 O ATOM 1269 CB GLN A 82 12.849 -0.575 0.509 1.00 0.00 C ATOM 1270 CG GLN A 82 13.329 0.868 0.487 1.00 0.00 C ATOM 1271 CD GLN A 82 12.990 1.562 -0.816 1.00 0.00 C ATOM 1272 OE1 GLN A 82 13.766 1.548 -1.768 1.00 0.00 O ATOM 1273 NE2 GLN A 82 11.816 2.174 -0.863 1.00 0.00 N ATOM 0 H GLN A 82 10.768 0.041 1.871 1.00 0.00 H new ATOM 0 HA GLN A 82 11.329 -0.332 -0.977 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.937 -0.965 1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.502 -1.178 -0.122 1.00 0.00 H new ATOM 0 HG2 GLN A 82 12.876 1.413 1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.408 0.893 0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 82 11.201 2.161 -0.049 1.00 0.00 H new ATOM 0 HE22 GLN A 82 11.527 2.658 -1.713 1.00 0.00 H new ATOM 1282 N THR A 83 10.386 -2.594 -1.102 1.00 0.00 N ATOM 1283 CA THR A 83 9.958 -3.966 -1.268 1.00 0.00 C ATOM 1284 C THR A 83 10.961 -4.703 -2.150 1.00 0.00 C ATOM 1285 O THR A 83 11.704 -4.068 -2.904 1.00 0.00 O ATOM 1286 CB THR A 83 8.547 -4.029 -1.899 1.00 0.00 C ATOM 1287 OG1 THR A 83 8.639 -4.090 -3.328 1.00 0.00 O ATOM 1288 CG2 THR A 83 7.738 -2.799 -1.502 1.00 0.00 C ATOM 0 H THR A 83 10.161 -1.982 -1.886 1.00 0.00 H new ATOM 0 HA THR A 83 9.912 -4.443 -0.289 1.00 0.00 H new ATOM 0 HB THR A 83 8.050 -4.927 -1.532 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.630 -3.182 -3.695 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.747 -2.855 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.642 -2.761 -0.417 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.246 -1.901 -1.853 1.00 0.00 H new ATOM 1296 N PRO A 84 11.014 -6.042 -2.070 1.00 0.00 N ATOM 1297 CA PRO A 84 11.917 -6.848 -2.904 1.00 0.00 C ATOM 1298 C PRO A 84 11.632 -6.672 -4.395 1.00 0.00 C ATOM 1299 O PRO A 84 12.480 -6.965 -5.242 1.00 0.00 O ATOM 1300 CB PRO A 84 11.621 -8.290 -2.474 1.00 0.00 C ATOM 1301 CG PRO A 84 10.979 -8.172 -1.136 1.00 0.00 C ATOM 1302 CD PRO A 84 10.218 -6.878 -1.159 1.00 0.00 C ATOM 0 HA PRO A 84 12.959 -6.558 -2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 84 10.961 -8.786 -3.186 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.535 -8.881 -2.422 1.00 0.00 H new ATOM 0 HG2 PRO A 84 10.313 -9.014 -0.946 1.00 0.00 H new ATOM 0 HG3 PRO A 84 11.726 -8.172 -0.343 1.00 0.00 H new ATOM 0 HD2 PRO A 84 9.200 -7.015 -1.523 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.144 -6.435 -0.166 1.00 0.00 H new ATOM 1310 N TYR A 85 10.445 -6.169 -4.705 1.00 0.00 N ATOM 1311 CA TYR A 85 10.016 -6.004 -6.083 1.00 0.00 C ATOM 1312 C TYR A 85 10.214 -4.560 -6.545 1.00 0.00 C ATOM 1313 O TYR A 85 9.974 -4.230 -7.706 1.00 0.00 O ATOM 1314 CB TYR A 85 8.547 -6.413 -6.218 1.00 0.00 C ATOM 1315 CG TYR A 85 8.258 -7.780 -5.635 1.00 0.00 C ATOM 1316 CD1 TYR A 85 8.657 -8.933 -6.295 1.00 0.00 C ATOM 1317 CD2 TYR A 85 7.600 -7.914 -4.419 1.00 0.00 C ATOM 1318 CE1 TYR A 85 8.406 -10.184 -5.761 1.00 0.00 C ATOM 1319 CE2 TYR A 85 7.349 -9.161 -3.876 1.00 0.00 C ATOM 1320 CZ TYR A 85 7.755 -10.294 -4.552 1.00 0.00 C ATOM 1321 OH TYR A 85 7.513 -11.538 -4.011 1.00 0.00 O ATOM 0 H TYR A 85 9.759 -5.867 -4.013 1.00 0.00 H new ATOM 0 HA TYR A 85 10.625 -6.646 -6.719 1.00 0.00 H new ATOM 0 HB2 TYR A 85 7.922 -5.672 -5.720 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.269 -6.407 -7.272 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.172 -8.853 -7.241 1.00 0.00 H new ATOM 0 HD2 TYR A 85 7.279 -7.030 -3.889 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.719 -11.072 -6.290 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.838 -9.248 -2.928 1.00 0.00 H new ATOM 0 HH TYR A 85 7.046 -11.437 -3.155 1.00 0.00 H new ATOM 1331 N GLY A 86 10.664 -3.710 -5.629 1.00 0.00 N ATOM 1332 CA GLY A 86 10.895 -2.315 -5.953 1.00 0.00 C ATOM 1333 C GLY A 86 10.358 -1.380 -4.886 1.00 0.00 C ATOM 1334 O GLY A 86 9.541 -1.781 -4.056 1.00 0.00 O ATOM 0 H GLY A 86 10.874 -3.964 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.965 -2.145 -6.077 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.423 -2.083 -6.908 1.00 0.00 H new ATOM 1338 N SER A 87 10.839 -0.147 -4.877 1.00 0.00 N ATOM 1339 CA SER A 87 10.353 0.856 -3.949 1.00 0.00 C ATOM 1340 C SER A 87 8.901 1.218 -4.265 1.00 0.00 C ATOM 1341 O SER A 87 8.621 1.893 -5.259 1.00 0.00 O ATOM 1342 CB SER A 87 11.250 2.090 -4.002 1.00 0.00 C ATOM 1343 OG SER A 87 11.338 2.616 -5.316 1.00 0.00 O ATOM 0 H SER A 87 11.570 0.183 -5.507 1.00 0.00 H new ATOM 0 HA SER A 87 10.384 0.450 -2.938 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.859 2.854 -3.329 1.00 0.00 H new ATOM 0 HB3 SER A 87 12.247 1.831 -3.646 1.00 0.00 H new ATOM 0 HG SER A 87 10.439 2.689 -5.700 1.00 0.00 H new ATOM 1349 N ALA A 88 7.985 0.768 -3.424 1.00 0.00 N ATOM 1350 CA ALA A 88 6.563 0.947 -3.684 1.00 0.00 C ATOM 1351 C ALA A 88 5.984 2.041 -2.801 1.00 0.00 C ATOM 1352 O ALA A 88 6.421 2.229 -1.661 1.00 0.00 O ATOM 1353 CB ALA A 88 5.811 -0.361 -3.476 1.00 0.00 C ATOM 0 H ALA A 88 8.198 0.276 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 88 6.445 1.251 -4.724 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.751 -0.207 -3.675 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.202 -1.117 -4.157 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.942 -0.696 -2.447 1.00 0.00 H new ATOM 1359 N TRP A 89 5.018 2.772 -3.335 1.00 0.00 N ATOM 1360 CA TRP A 89 4.362 3.829 -2.580 1.00 0.00 C ATOM 1361 C TRP A 89 3.244 3.261 -1.704 1.00 0.00 C ATOM 1362 O TRP A 89 2.357 2.559 -2.188 1.00 0.00 O ATOM 1363 CB TRP A 89 3.796 4.892 -3.524 1.00 0.00 C ATOM 1364 CG TRP A 89 4.842 5.613 -4.296 1.00 0.00 C ATOM 1365 CD1 TRP A 89 5.141 5.448 -5.611 1.00 0.00 C ATOM 1366 CD2 TRP A 89 5.734 6.617 -3.799 1.00 0.00 C ATOM 1367 NE1 TRP A 89 6.160 6.291 -5.968 1.00 0.00 N ATOM 1368 CE2 TRP A 89 6.543 7.019 -4.874 1.00 0.00 C ATOM 1369 CE3 TRP A 89 5.925 7.216 -2.550 1.00 0.00 C ATOM 1370 CZ2 TRP A 89 7.529 7.992 -4.742 1.00 0.00 C ATOM 1371 CZ3 TRP A 89 6.904 8.183 -2.418 1.00 0.00 C ATOM 1372 CH2 TRP A 89 7.696 8.561 -3.509 1.00 0.00 C ATOM 0 H TRP A 89 4.671 2.653 -4.287 1.00 0.00 H new ATOM 0 HA TRP A 89 5.108 4.292 -1.934 1.00 0.00 H new ATOM 0 HB2 TRP A 89 3.103 4.418 -4.220 1.00 0.00 H new ATOM 0 HB3 TRP A 89 3.221 5.614 -2.944 1.00 0.00 H new ATOM 0 HD1 TRP A 89 4.648 4.755 -6.276 1.00 0.00 H new ATOM 0 HE1 TRP A 89 6.568 6.364 -6.900 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.319 6.928 -1.704 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.140 8.287 -5.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.060 8.654 -1.459 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.455 9.318 -3.374 1.00 0.00 H new ATOM 1383 N MET A 90 3.316 3.557 -0.416 1.00 0.00 N ATOM 1384 CA MET A 90 2.292 3.158 0.540 1.00 0.00 C ATOM 1385 C MET A 90 1.603 4.404 1.096 1.00 0.00 C ATOM 1386 O MET A 90 2.238 5.233 1.741 1.00 0.00 O ATOM 1387 CB MET A 90 2.937 2.353 1.672 1.00 0.00 C ATOM 1388 CG MET A 90 1.946 1.767 2.660 1.00 0.00 C ATOM 1389 SD MET A 90 2.769 0.933 4.031 1.00 0.00 S ATOM 1390 CE MET A 90 1.366 0.247 4.904 1.00 0.00 C ATOM 0 H MET A 90 4.087 4.081 -0.002 1.00 0.00 H new ATOM 0 HA MET A 90 1.547 2.535 0.046 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.523 1.543 1.238 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.632 2.997 2.210 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.309 2.562 3.049 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.295 1.061 2.145 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.716 -0.456 5.660 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.809 1.050 5.386 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.717 -0.272 4.199 1.00 0.00 H new ATOM 1400 N TYR A 91 0.312 4.545 0.837 1.00 0.00 N ATOM 1401 CA TYR A 91 -0.399 5.763 1.211 1.00 0.00 C ATOM 1402 C TYR A 91 -1.005 5.666 2.610 1.00 0.00 C ATOM 1403 O TYR A 91 -1.990 4.958 2.836 1.00 0.00 O ATOM 1404 CB TYR A 91 -1.484 6.095 0.180 1.00 0.00 C ATOM 1405 CG TYR A 91 -0.931 6.478 -1.178 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -0.524 7.781 -1.440 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -0.811 5.537 -2.194 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -0.014 8.134 -2.675 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -0.302 5.885 -3.432 1.00 0.00 C ATOM 1410 CZ TYR A 91 0.095 7.183 -3.667 1.00 0.00 C ATOM 1411 OH TYR A 91 0.606 7.530 -4.895 1.00 0.00 O ATOM 0 H TYR A 91 -0.262 3.840 0.374 1.00 0.00 H new ATOM 0 HA TYR A 91 0.332 6.571 1.226 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.141 5.233 0.066 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.095 6.914 0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.608 8.530 -0.666 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.120 4.518 -2.014 1.00 0.00 H new ATOM 0 HE1 TYR A 91 0.298 9.151 -2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.216 5.142 -4.211 1.00 0.00 H new ATOM 0 HH TYR A 91 0.616 6.743 -5.479 1.00 0.00 H new ATOM 1421 N VAL A 92 -0.411 6.397 3.545 1.00 0.00 N ATOM 1422 CA VAL A 92 -0.888 6.433 4.917 1.00 0.00 C ATOM 1423 C VAL A 92 -2.062 7.394 5.057 1.00 0.00 C ATOM 1424 O VAL A 92 -1.987 8.550 4.630 1.00 0.00 O ATOM 1425 CB VAL A 92 0.246 6.840 5.890 1.00 0.00 C ATOM 1426 CG1 VAL A 92 -0.302 7.408 7.193 1.00 0.00 C ATOM 1427 CG2 VAL A 92 1.128 5.646 6.193 1.00 0.00 C ATOM 0 H VAL A 92 0.410 6.977 3.373 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.223 5.429 5.176 1.00 0.00 H new ATOM 0 HB VAL A 92 0.831 7.618 5.400 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.526 7.681 7.848 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.903 8.292 6.980 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.921 6.658 7.685 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.922 5.944 6.878 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.530 4.859 6.652 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.568 5.275 5.268 1.00 0.00 H new ATOM 1437 N TYR A 93 -3.145 6.903 5.646 1.00 0.00 N ATOM 1438 CA TYR A 93 -4.315 7.724 5.899 1.00 0.00 C ATOM 1439 C TYR A 93 -3.933 8.830 6.872 1.00 0.00 C ATOM 1440 O TYR A 93 -3.486 8.555 7.984 1.00 0.00 O ATOM 1441 CB TYR A 93 -5.444 6.867 6.477 1.00 0.00 C ATOM 1442 CG TYR A 93 -6.829 7.452 6.283 1.00 0.00 C ATOM 1443 CD1 TYR A 93 -7.292 8.496 7.073 1.00 0.00 C ATOM 1444 CD2 TYR A 93 -7.673 6.953 5.299 1.00 0.00 C ATOM 1445 CE1 TYR A 93 -8.557 9.027 6.887 1.00 0.00 C ATOM 1446 CE2 TYR A 93 -8.935 7.478 5.108 1.00 0.00 C ATOM 1447 CZ TYR A 93 -9.373 8.513 5.902 1.00 0.00 C ATOM 1448 OH TYR A 93 -10.633 9.035 5.708 1.00 0.00 O ATOM 0 H TYR A 93 -3.234 5.936 5.957 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.668 8.165 4.967 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -5.410 5.881 6.014 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -5.268 6.725 7.543 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.655 8.900 7.845 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.336 6.140 4.673 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.902 9.839 7.510 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.577 7.078 4.337 1.00 0.00 H new ATOM 0 HH TYR A 93 -10.981 8.737 4.841 1.00 0.00 H new ATOM 1458 N GLN A 94 -4.080 10.072 6.445 1.00 0.00 N ATOM 1459 CA GLN A 94 -3.628 11.198 7.235 1.00 0.00 C ATOM 1460 C GLN A 94 -4.833 11.932 7.801 1.00 0.00 C ATOM 1461 O GLN A 94 -5.947 11.406 7.758 1.00 0.00 O ATOM 1462 CB GLN A 94 -2.779 12.129 6.365 1.00 0.00 C ATOM 1463 CG GLN A 94 -1.620 12.782 7.105 1.00 0.00 C ATOM 1464 CD GLN A 94 -0.634 11.771 7.665 1.00 0.00 C ATOM 1465 OE1 GLN A 94 0.015 12.015 8.680 1.00 0.00 O ATOM 1466 NE2 GLN A 94 -0.518 10.628 7.007 1.00 0.00 N ATOM 0 H GLN A 94 -4.509 10.324 5.555 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.013 10.848 8.064 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -2.385 11.562 5.522 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -3.419 12.909 5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -1.096 13.456 6.427 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -2.012 13.390 7.920 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -1.075 10.464 6.168 1.00 0.00 H new ATOM 0 HE22 GLN A 94 0.128 9.912 7.339 1.00 0.00 H new ATOM 1475 N ARG A 95 -4.613 13.143 8.318 1.00 0.00 N ATOM 1476 CA ARG A 95 -5.686 13.953 8.895 1.00 0.00 C ATOM 1477 C ARG A 95 -6.209 13.276 10.170 1.00 0.00 C ATOM 1478 O ARG A 95 -5.639 12.273 10.603 1.00 0.00 O ATOM 1479 CB ARG A 95 -6.802 14.172 7.853 1.00 0.00 C ATOM 1480 CG ARG A 95 -6.276 14.524 6.468 1.00 0.00 C ATOM 1481 CD ARG A 95 -7.323 15.224 5.620 1.00 0.00 C ATOM 1482 NE ARG A 95 -7.715 16.516 6.182 1.00 0.00 N ATOM 1483 CZ ARG A 95 -7.132 17.676 5.872 1.00 0.00 C ATOM 1484 NH1 ARG A 95 -6.130 17.713 4.998 1.00 0.00 N ATOM 1485 NH2 ARG A 95 -7.559 18.800 6.430 1.00 0.00 N ATOM 0 H ARG A 95 -3.695 13.586 8.348 1.00 0.00 H new ATOM 0 HA ARG A 95 -5.305 14.936 9.171 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -7.407 13.268 7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -7.459 14.970 8.198 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -5.401 15.166 6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -5.950 13.615 5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.933 15.371 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -8.202 14.586 5.532 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.483 16.532 6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -5.803 16.852 4.560 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -5.689 18.603 4.765 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.332 18.778 7.095 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -7.115 19.687 6.194 1.00 0.00 H new ATOM 1499 N PRO A 96 -7.243 13.828 10.841 1.00 0.00 N ATOM 1500 CA PRO A 96 -7.853 13.165 11.998 1.00 0.00 C ATOM 1501 C PRO A 96 -8.314 11.740 11.680 1.00 0.00 C ATOM 1502 O PRO A 96 -9.358 11.537 11.062 1.00 0.00 O ATOM 1503 CB PRO A 96 -9.050 14.055 12.336 1.00 0.00 C ATOM 1504 CG PRO A 96 -8.681 15.398 11.813 1.00 0.00 C ATOM 1505 CD PRO A 96 -7.860 15.145 10.578 1.00 0.00 C ATOM 0 HA PRO A 96 -7.145 13.056 12.820 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -9.963 13.685 11.869 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.231 14.084 13.410 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.570 15.984 11.579 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.112 15.963 12.552 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -8.479 15.127 9.681 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -7.107 15.919 10.430 1.00 0.00 H new ATOM 1513 N VAL A 97 -7.512 10.763 12.082 1.00 0.00 N ATOM 1514 CA VAL A 97 -7.838 9.360 11.855 1.00 0.00 C ATOM 1515 C VAL A 97 -8.563 8.775 13.059 1.00 0.00 C ATOM 1516 O VAL A 97 -9.091 7.664 13.005 1.00 0.00 O ATOM 1517 CB VAL A 97 -6.576 8.518 11.567 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -5.912 8.974 10.281 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -5.597 8.589 12.730 1.00 0.00 C ATOM 0 H VAL A 97 -6.629 10.916 12.568 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.488 9.322 10.981 1.00 0.00 H new ATOM 0 HB VAL A 97 -6.883 7.479 11.447 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.025 8.369 10.095 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -6.609 8.860 9.451 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -5.624 10.021 10.372 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.717 7.988 12.502 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.297 9.625 12.891 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -6.075 8.206 13.632 1.00 0.00 H new ATOM 1529 N ASP A 98 -8.568 9.535 14.146 1.00 0.00 N ATOM 1530 CA ASP A 98 -9.226 9.126 15.382 1.00 0.00 C ATOM 1531 C ASP A 98 -10.720 8.920 15.150 1.00 0.00 C ATOM 1532 O ASP A 98 -11.478 9.882 15.023 1.00 0.00 O ATOM 1533 CB ASP A 98 -8.999 10.178 16.472 1.00 0.00 C ATOM 1534 CG ASP A 98 -9.532 9.750 17.823 1.00 0.00 C ATOM 1535 OD1 ASP A 98 -8.854 8.954 18.508 1.00 0.00 O ATOM 1536 OD2 ASP A 98 -10.617 10.227 18.219 1.00 0.00 O ATOM 0 H ASP A 98 -8.118 10.449 14.197 1.00 0.00 H new ATOM 0 HA ASP A 98 -8.794 8.180 15.709 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.932 10.382 16.556 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.480 11.110 16.176 1.00 0.00 H new ATOM 1541 N GLY A 99 -11.134 7.663 15.074 1.00 0.00 N ATOM 1542 CA GLY A 99 -12.524 7.356 14.804 1.00 0.00 C ATOM 1543 C GLY A 99 -12.674 6.236 13.797 1.00 0.00 C ATOM 1544 O GLY A 99 -13.764 5.699 13.608 1.00 0.00 O ATOM 0 H GLY A 99 -10.531 6.849 15.195 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.020 7.076 15.733 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.026 8.248 14.431 1.00 0.00 H new ATOM 1548 N LEU A 100 -11.575 5.886 13.143 1.00 0.00 N ATOM 1549 CA LEU A 100 -11.580 4.797 12.178 1.00 0.00 C ATOM 1550 C LEU A 100 -11.547 3.456 12.903 1.00 0.00 C ATOM 1551 O LEU A 100 -11.191 3.385 14.083 1.00 0.00 O ATOM 1552 CB LEU A 100 -10.385 4.916 11.232 1.00 0.00 C ATOM 1553 CG LEU A 100 -10.282 6.244 10.482 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -9.010 6.291 9.653 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -11.501 6.462 9.601 1.00 0.00 C ATOM 0 H LEU A 100 -10.670 6.340 13.263 1.00 0.00 H new ATOM 0 HA LEU A 100 -12.495 4.857 11.588 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -9.470 4.769 11.807 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.437 4.108 10.503 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.245 7.048 11.217 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -8.954 7.244 9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.145 6.187 10.308 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.017 5.476 8.929 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.406 7.413 9.077 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.574 5.653 8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.399 6.477 10.219 1.00 0.00 H new ATOM 1567 N LYS A 101 -11.909 2.400 12.196 1.00 0.00 N ATOM 1568 CA LYS A 101 -11.963 1.072 12.787 1.00 0.00 C ATOM 1569 C LYS A 101 -10.644 0.352 12.557 1.00 0.00 C ATOM 1570 O LYS A 101 -10.311 -0.016 11.430 1.00 0.00 O ATOM 1571 CB LYS A 101 -13.133 0.285 12.198 1.00 0.00 C ATOM 1572 CG LYS A 101 -14.410 1.104 12.126 1.00 0.00 C ATOM 1573 CD LYS A 101 -15.568 0.310 11.553 1.00 0.00 C ATOM 1574 CE LYS A 101 -16.723 1.223 11.179 1.00 0.00 C ATOM 1575 NZ LYS A 101 -17.091 2.148 12.284 1.00 0.00 N ATOM 0 H LYS A 101 -12.170 2.435 11.211 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.122 1.158 13.862 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.869 -0.058 11.198 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -13.310 -0.604 12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -14.671 1.455 13.124 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.239 1.988 11.512 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.236 -0.241 10.673 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.904 -0.427 12.282 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -16.454 1.803 10.297 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -17.589 0.618 10.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.008 2.592 12.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -17.160 1.615 13.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -16.363 2.885 12.377 1.00 0.00 H new ATOM 1589 N LEU A 102 -9.891 0.186 13.627 1.00 0.00 N ATOM 1590 CA LEU A 102 -8.551 -0.373 13.552 1.00 0.00 C ATOM 1591 C LEU A 102 -8.587 -1.878 13.296 1.00 0.00 C ATOM 1592 O LEU A 102 -9.427 -2.597 13.842 1.00 0.00 O ATOM 1593 CB LEU A 102 -7.793 -0.072 14.853 1.00 0.00 C ATOM 1594 CG LEU A 102 -6.346 -0.570 14.911 1.00 0.00 C ATOM 1595 CD1 LEU A 102 -5.500 0.107 13.842 1.00 0.00 C ATOM 1596 CD2 LEU A 102 -5.758 -0.321 16.292 1.00 0.00 C ATOM 0 H LEU A 102 -10.188 0.433 14.571 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.033 0.092 12.713 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.793 1.007 15.010 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.343 -0.515 15.683 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.343 -1.643 14.719 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.476 -0.261 13.901 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.910 -0.117 12.857 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.507 1.185 14.001 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.729 -0.680 16.319 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.776 0.747 16.508 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.347 -0.852 17.040 1.00 0.00 H new ATOM 1608 N ILE A 103 -7.684 -2.325 12.436 1.00 0.00 N ATOM 1609 CA ILE A 103 -7.497 -3.733 12.153 1.00 0.00 C ATOM 1610 C ILE A 103 -6.041 -4.108 12.406 1.00 0.00 C ATOM 1611 O ILE A 103 -5.187 -3.954 11.525 1.00 0.00 O ATOM 1612 CB ILE A 103 -7.853 -4.079 10.687 1.00 0.00 C ATOM 1613 CG1 ILE A 103 -9.290 -3.658 10.360 1.00 0.00 C ATOM 1614 CG2 ILE A 103 -7.665 -5.569 10.429 1.00 0.00 C ATOM 1615 CD1 ILE A 103 -9.689 -3.915 8.922 1.00 0.00 C ATOM 0 H ILE A 103 -7.058 -1.713 11.913 1.00 0.00 H new ATOM 0 HA ILE A 103 -8.163 -4.295 12.808 1.00 0.00 H new ATOM 0 HB ILE A 103 -7.178 -3.525 10.035 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.974 -4.193 11.018 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.406 -2.596 10.575 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -7.920 -5.794 9.393 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.626 -5.842 10.615 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -8.314 -6.138 11.094 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -10.718 -3.592 8.767 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -9.029 -3.358 8.256 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.607 -4.980 8.706 1.00 0.00 H new ATOM 1627 N GLU A 104 -5.749 -4.557 13.620 1.00 0.00 N ATOM 1628 CA GLU A 104 -4.398 -4.991 13.976 1.00 0.00 C ATOM 1629 C GLU A 104 -4.014 -6.241 13.188 1.00 0.00 C ATOM 1630 O GLU A 104 -2.843 -6.615 13.124 1.00 0.00 O ATOM 1631 CB GLU A 104 -4.275 -5.285 15.478 1.00 0.00 C ATOM 1632 CG GLU A 104 -4.972 -4.280 16.386 1.00 0.00 C ATOM 1633 CD GLU A 104 -6.432 -4.617 16.607 1.00 0.00 C ATOM 1634 OE1 GLU A 104 -7.263 -4.243 15.759 1.00 0.00 O ATOM 1635 OE2 GLU A 104 -6.744 -5.279 17.625 1.00 0.00 O ATOM 0 H GLU A 104 -6.428 -4.631 14.377 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.721 -4.174 13.726 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -4.685 -6.276 15.674 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.218 -5.319 15.742 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.460 -4.247 17.348 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.894 -3.284 15.949 1.00 0.00 H new ATOM 1642 N SER A 105 -5.016 -6.885 12.603 1.00 0.00 N ATOM 1643 CA SER A 105 -4.810 -8.094 11.818 1.00 0.00 C ATOM 1644 C SER A 105 -4.109 -7.781 10.495 1.00 0.00 C ATOM 1645 O SER A 105 -3.525 -8.667 9.871 1.00 0.00 O ATOM 1646 CB SER A 105 -6.150 -8.769 11.541 1.00 0.00 C ATOM 1647 OG SER A 105 -6.919 -8.894 12.725 1.00 0.00 O ATOM 0 H SER A 105 -5.989 -6.585 12.659 1.00 0.00 H new ATOM 0 HA SER A 105 -4.173 -8.766 12.393 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.706 -8.190 10.804 1.00 0.00 H new ATOM 0 HB3 SER A 105 -5.980 -9.755 11.109 1.00 0.00 H new ATOM 0 HG SER A 105 -7.712 -9.441 12.544 1.00 0.00 H new ATOM 1653 N GLY A 106 -4.186 -6.521 10.069 1.00 0.00 N ATOM 1654 CA GLY A 106 -3.584 -6.119 8.810 1.00 0.00 C ATOM 1655 C GLY A 106 -4.276 -6.741 7.609 1.00 0.00 C ATOM 1656 O GLY A 106 -3.654 -6.964 6.570 1.00 0.00 O ATOM 0 H GLY A 106 -4.656 -5.771 10.576 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -3.620 -5.033 8.724 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.532 -6.404 8.807 1.00 0.00 H new ATOM 1660 N ASP A 107 -5.567 -7.018 7.749 1.00 0.00 N ATOM 1661 CA ASP A 107 -6.332 -7.652 6.681 1.00 0.00 C ATOM 1662 C ASP A 107 -7.663 -6.936 6.485 1.00 0.00 C ATOM 1663 O ASP A 107 -8.341 -6.596 7.457 1.00 0.00 O ATOM 1664 CB ASP A 107 -6.571 -9.129 7.003 1.00 0.00 C ATOM 1665 CG ASP A 107 -7.163 -9.897 5.835 1.00 0.00 C ATOM 1666 OD1 ASP A 107 -8.367 -9.734 5.551 1.00 0.00 O ATOM 1667 OD2 ASP A 107 -6.426 -10.678 5.203 1.00 0.00 O ATOM 0 H ASP A 107 -6.106 -6.814 8.591 1.00 0.00 H new ATOM 0 HA ASP A 107 -5.758 -7.583 5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -5.627 -9.590 7.294 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.241 -9.206 7.859 1.00 0.00 H new ATOM 1672 N TRP A 108 -8.032 -6.726 5.230 1.00 0.00 N ATOM 1673 CA TRP A 108 -9.221 -5.952 4.886 1.00 0.00 C ATOM 1674 C TRP A 108 -10.509 -6.713 5.212 1.00 0.00 C ATOM 1675 O TRP A 108 -11.532 -6.110 5.530 1.00 0.00 O ATOM 1676 CB TRP A 108 -9.188 -5.596 3.390 1.00 0.00 C ATOM 1677 CG TRP A 108 -10.344 -4.757 2.933 1.00 0.00 C ATOM 1678 CD1 TRP A 108 -11.238 -5.066 1.948 1.00 0.00 C ATOM 1679 CD2 TRP A 108 -10.736 -3.474 3.442 1.00 0.00 C ATOM 1680 NE1 TRP A 108 -12.154 -4.053 1.806 1.00 0.00 N ATOM 1681 CE2 TRP A 108 -11.870 -3.066 2.713 1.00 0.00 C ATOM 1682 CE3 TRP A 108 -10.239 -2.628 4.440 1.00 0.00 C ATOM 1683 CZ2 TRP A 108 -12.515 -1.856 2.953 1.00 0.00 C ATOM 1684 CZ3 TRP A 108 -10.881 -1.427 4.675 1.00 0.00 C ATOM 1685 CH2 TRP A 108 -12.007 -1.050 3.935 1.00 0.00 C ATOM 0 H TRP A 108 -7.520 -7.084 4.424 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.215 -5.042 5.485 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -8.261 -5.065 3.174 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -9.170 -6.518 2.809 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -11.226 -5.975 1.365 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -12.921 -4.038 1.134 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -9.370 -2.909 5.016 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -13.385 -1.564 2.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -10.507 -0.767 5.444 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -12.485 -0.104 4.143 1.00 0.00 H new ATOM 1696 N LEU A 109 -10.449 -8.034 5.160 1.00 0.00 N ATOM 1697 CA LEU A 109 -11.651 -8.847 5.245 1.00 0.00 C ATOM 1698 C LEU A 109 -11.637 -9.733 6.485 1.00 0.00 C ATOM 1699 O LEU A 109 -12.468 -10.633 6.630 1.00 0.00 O ATOM 1700 CB LEU A 109 -11.765 -9.696 3.977 1.00 0.00 C ATOM 1701 CG LEU A 109 -11.823 -8.889 2.676 1.00 0.00 C ATOM 1702 CD1 LEU A 109 -11.545 -9.775 1.475 1.00 0.00 C ATOM 1703 CD2 LEU A 109 -13.180 -8.213 2.531 1.00 0.00 C ATOM 0 H LEU A 109 -9.584 -8.565 5.060 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.517 -8.191 5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.913 -10.375 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -12.661 -10.313 4.047 1.00 0.00 H new ATOM 0 HG LEU A 109 -11.051 -8.121 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.592 -9.178 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.552 -10.215 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -12.291 -10.569 1.428 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.205 -7.644 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -13.964 -8.970 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.343 -7.541 3.373 1.00 0.00 H new ATOM 1715 N ASP A 110 -10.700 -9.468 7.383 1.00 0.00 N ATOM 1716 CA ASP A 110 -10.563 -10.262 8.597 1.00 0.00 C ATOM 1717 C ASP A 110 -11.544 -9.804 9.666 1.00 0.00 C ATOM 1718 O ASP A 110 -12.391 -10.570 10.123 1.00 0.00 O ATOM 1719 CB ASP A 110 -9.134 -10.173 9.132 1.00 0.00 C ATOM 1720 CG ASP A 110 -8.931 -11.012 10.377 1.00 0.00 C ATOM 1721 OD1 ASP A 110 -8.793 -12.243 10.249 1.00 0.00 O ATOM 1722 OD2 ASP A 110 -8.899 -10.442 11.489 1.00 0.00 O ATOM 0 H ASP A 110 -10.023 -8.710 7.295 1.00 0.00 H new ATOM 0 HA ASP A 110 -10.788 -11.298 8.345 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.438 -10.500 8.359 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -8.896 -9.133 9.355 1.00 0.00 H new ATOM 1727 N ARG A 111 -11.436 -8.542 10.050 1.00 0.00 N ATOM 1728 CA ARG A 111 -12.238 -8.000 11.136 1.00 0.00 C ATOM 1729 C ARG A 111 -13.522 -7.375 10.624 1.00 0.00 C ATOM 1730 O ARG A 111 -14.233 -6.692 11.358 1.00 0.00 O ATOM 1731 CB ARG A 111 -11.417 -6.989 11.915 1.00 0.00 C ATOM 1732 CG ARG A 111 -10.216 -7.630 12.574 1.00 0.00 C ATOM 1733 CD ARG A 111 -9.359 -6.628 13.322 1.00 0.00 C ATOM 1734 NE ARG A 111 -10.131 -5.827 14.262 1.00 0.00 N ATOM 1735 CZ ARG A 111 -9.972 -5.886 15.584 1.00 0.00 C ATOM 1736 NH1 ARG A 111 -9.212 -6.831 16.124 1.00 0.00 N ATOM 1737 NH2 ARG A 111 -10.605 -5.032 16.372 1.00 0.00 N ATOM 0 H ARG A 111 -10.797 -7.871 9.623 1.00 0.00 H new ATOM 0 HA ARG A 111 -12.523 -8.818 11.798 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.084 -6.197 11.244 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -12.042 -6.521 12.675 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -10.554 -8.402 13.266 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -9.611 -8.125 11.815 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -8.573 -7.157 13.860 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -8.867 -5.969 12.606 1.00 0.00 H new ATOM 0 HE ARG A 111 -10.831 -5.186 13.888 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -8.747 -7.515 15.527 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -9.093 -6.873 17.136 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -11.218 -4.324 15.968 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -10.480 -5.082 17.383 1.00 0.00 H new ATOM 1751 N ASP A 112 -13.815 -7.635 9.364 1.00 0.00 N ATOM 1752 CA ASP A 112 -15.045 -7.150 8.748 1.00 0.00 C ATOM 1753 C ASP A 112 -16.260 -7.817 9.389 1.00 0.00 C ATOM 1754 O ASP A 112 -17.213 -7.144 9.784 1.00 0.00 O ATOM 1755 CB ASP A 112 -15.030 -7.406 7.244 1.00 0.00 C ATOM 1756 CG ASP A 112 -16.329 -6.999 6.583 1.00 0.00 C ATOM 1757 OD1 ASP A 112 -16.587 -5.783 6.447 1.00 0.00 O ATOM 1758 OD2 ASP A 112 -17.103 -7.889 6.208 1.00 0.00 O ATOM 0 H ASP A 112 -13.219 -8.181 8.742 1.00 0.00 H new ATOM 0 HA ASP A 112 -15.111 -6.075 8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -14.206 -6.855 6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -14.846 -8.464 7.059 1.00 0.00 H new ATOM 1763 N LYS A 113 -16.200 -9.148 9.498 1.00 0.00 N ATOM 1764 CA LYS A 113 -17.220 -9.934 10.207 1.00 0.00 C ATOM 1765 C LYS A 113 -18.552 -9.959 9.470 1.00 0.00 C ATOM 1766 O LYS A 113 -19.615 -10.097 10.077 1.00 0.00 O ATOM 1767 CB LYS A 113 -17.414 -9.392 11.612 1.00 0.00 C ATOM 1768 CG LYS A 113 -16.176 -9.524 12.476 1.00 0.00 C ATOM 1769 CD LYS A 113 -16.389 -8.947 13.870 1.00 0.00 C ATOM 1770 CE LYS A 113 -16.185 -7.434 13.907 1.00 0.00 C ATOM 1771 NZ LYS A 113 -17.123 -6.704 13.010 1.00 0.00 N ATOM 0 H LYS A 113 -15.448 -9.710 9.100 1.00 0.00 H new ATOM 0 HA LYS A 113 -16.858 -10.961 10.255 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -17.699 -8.341 11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -18.240 -9.920 12.088 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -15.901 -10.576 12.557 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -15.342 -9.012 11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -17.397 -9.184 14.209 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -15.699 -9.422 14.567 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -16.316 -7.079 14.929 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -15.160 -7.203 13.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -17.186 -5.710 13.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -16.774 -6.750 12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -18.065 -7.142 13.063 1.00 0.00 H new TER 1785 LYS A 113