USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 549 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 84 HIS : no HE2:sc= 0.581 K(o=1.5,f=-5.1!) USER MOD Set 1.2: A 95 CYS SG : rot -168:sc= 0.873 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 80 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.47) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -16:sc= -0.359 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 157:sc= -0.0828 (180deg=-0.446) USER MOD Single : A 103 THR OG1 : rot 120:sc= 0.246 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -2.76! C(o=-2.8!,f=-3!) USER MOD Single : A 113 GLN : amide:sc= -2.23! C(o=-2.2!,f=-7.3!) USER MOD Single : A 119 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-2.6!) USER MOD Single : A 123 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 124 SER OG : rot -81:sc= 1.16 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -1.01 X(o=-1,f=-1) USER MOD Single : A 136 GLN : amide:sc= -0.0273 K(o=-0.027,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -3.989 5.848 4.571 1.00 0.00 N ATOM 60 CA GLY A 68 -2.749 5.128 4.345 1.00 0.00 C ATOM 61 C GLY A 68 -2.981 3.720 3.836 1.00 0.00 C ATOM 62 O GLY A 68 -3.993 3.096 4.155 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.141 5.676 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.182 5.086 5.275 1.00 0.00 H new ATOM 66 N ILE A 69 -2.043 3.218 3.039 1.00 0.00 N ATOM 67 CA ILE A 69 -2.151 1.875 2.484 1.00 0.00 C ATOM 68 C ILE A 69 -0.897 1.058 2.775 1.00 0.00 C ATOM 69 O ILE A 69 0.157 1.610 3.095 1.00 0.00 O ATOM 70 CB ILE A 69 -2.385 1.912 0.962 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.197 2.570 0.258 1.00 0.00 C ATOM 72 CG2 ILE A 69 -3.674 2.653 0.643 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.107 1.595 -0.128 1.00 0.00 C ATOM 0 H ILE A 69 -1.200 3.722 2.764 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.009 1.403 2.963 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.478 0.889 0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.552 3.078 -0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.775 3.334 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.826 2.671 -0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.513 2.145 1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.609 3.675 1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.703 2.132 -0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.276 1.104 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.513 0.845 -0.807 1.00 0.00 H new ATOM 85 N LEU A 70 -1.016 -0.260 2.659 1.00 0.00 N ATOM 86 CA LEU A 70 0.109 -1.155 2.907 1.00 0.00 C ATOM 87 C LEU A 70 0.185 -2.243 1.840 1.00 0.00 C ATOM 88 O LEU A 70 -0.801 -2.927 1.566 1.00 0.00 O ATOM 89 CB LEU A 70 -0.017 -1.792 4.292 1.00 0.00 C ATOM 90 CG LEU A 70 0.730 -3.111 4.495 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.223 -2.916 4.282 1.00 0.00 C ATOM 92 CD2 LEU A 70 0.457 -3.671 5.883 1.00 0.00 C ATOM 0 H LEU A 70 -1.880 -0.733 2.395 1.00 0.00 H new ATOM 0 HA LEU A 70 1.026 -0.567 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.341 -1.077 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.074 -1.961 4.497 1.00 0.00 H new ATOM 0 HG LEU A 70 0.368 -3.828 3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.739 -3.865 4.431 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.402 -2.560 3.267 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.600 -2.183 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.997 -4.610 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.790 -2.957 6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.612 -3.849 6.000 1.00 0.00 H new ATOM 104 N ILE A 71 1.362 -2.397 1.244 1.00 0.00 N ATOM 105 CA ILE A 71 1.568 -3.403 0.209 1.00 0.00 C ATOM 106 C ILE A 71 2.663 -4.386 0.609 1.00 0.00 C ATOM 107 O ILE A 71 3.641 -4.012 1.256 1.00 0.00 O ATOM 108 CB ILE A 71 1.940 -2.757 -1.138 1.00 0.00 C ATOM 109 CG1 ILE A 71 0.723 -2.060 -1.748 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.491 -3.806 -2.094 1.00 0.00 C ATOM 111 CD1 ILE A 71 1.077 -1.044 -2.811 1.00 0.00 C ATOM 0 H ILE A 71 2.188 -1.838 1.460 1.00 0.00 H new ATOM 0 HA ILE A 71 0.625 -3.939 0.097 1.00 0.00 H new ATOM 0 HB ILE A 71 2.714 -2.009 -0.964 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.063 -2.812 -2.181 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.163 -1.564 -0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.750 -3.334 -3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.381 -4.261 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.737 -4.574 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.165 -0.590 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.712 -0.271 -2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.610 -1.538 -3.623 1.00 0.00 H new ATOM 123 N ARG A 72 2.492 -5.645 0.217 1.00 0.00 N ATOM 124 CA ARG A 72 3.467 -6.682 0.534 1.00 0.00 C ATOM 125 C ARG A 72 3.777 -7.531 -0.696 1.00 0.00 C ATOM 126 O ARG A 72 2.879 -7.890 -1.457 1.00 0.00 O ATOM 127 CB ARG A 72 2.946 -7.573 1.663 1.00 0.00 C ATOM 128 CG ARG A 72 2.946 -6.895 3.024 1.00 0.00 C ATOM 129 CD ARG A 72 2.382 -7.808 4.101 1.00 0.00 C ATOM 130 NE ARG A 72 2.940 -7.510 5.418 1.00 0.00 N ATOM 131 CZ ARG A 72 2.367 -7.876 6.559 1.00 0.00 C ATOM 132 NH1 ARG A 72 1.225 -8.549 6.544 1.00 0.00 N ATOM 133 NH2 ARG A 72 2.936 -7.568 7.717 1.00 0.00 N ATOM 0 H ARG A 72 1.688 -5.971 -0.320 1.00 0.00 H new ATOM 0 HA ARG A 72 4.386 -6.195 0.859 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.931 -7.890 1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.558 -8.474 1.715 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.963 -6.605 3.287 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.356 -5.980 2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.298 -7.703 4.134 1.00 0.00 H new ATOM 0 HD3 ARG A 72 2.594 -8.846 3.844 1.00 0.00 H new ATOM 0 HE ARG A 72 3.818 -6.992 5.464 1.00 0.00 H new ATOM 0 HH11 ARG A 72 0.785 -8.787 5.655 1.00 0.00 H new ATOM 0 HH12 ARG A 72 0.787 -8.829 7.421 1.00 0.00 H new ATOM 0 HH21 ARG A 72 3.814 -7.050 7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 72 2.495 -7.850 8.593 1.00 0.00 H new ATOM 147 N GLY A 73 5.054 -7.847 -0.884 1.00 0.00 N ATOM 148 CA GLY A 73 5.460 -8.649 -2.023 1.00 0.00 C ATOM 149 C GLY A 73 5.794 -7.806 -3.237 1.00 0.00 C ATOM 150 O GLY A 73 5.086 -7.847 -4.245 1.00 0.00 O ATOM 0 H GLY A 73 5.815 -7.562 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.329 -9.248 -1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.660 -9.345 -2.277 1.00 0.00 H new ATOM 154 N LEU A 74 6.873 -7.037 -3.143 1.00 0.00 N ATOM 155 CA LEU A 74 7.298 -6.178 -4.243 1.00 0.00 C ATOM 156 C LEU A 74 8.453 -6.811 -5.013 1.00 0.00 C ATOM 157 O LEU A 74 9.237 -7.592 -4.474 1.00 0.00 O ATOM 158 CB LEU A 74 7.717 -4.806 -3.711 1.00 0.00 C ATOM 159 CG LEU A 74 6.644 -4.024 -2.953 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.277 -2.925 -2.113 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.626 -3.438 -3.921 1.00 0.00 C ATOM 0 H LEU A 74 7.469 -6.991 -2.317 1.00 0.00 H new ATOM 0 HA LEU A 74 6.455 -6.056 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.574 -4.941 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.054 -4.200 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 74 6.126 -4.711 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.498 -2.379 -1.581 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.966 -3.368 -1.394 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.822 -2.239 -2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.870 -2.885 -3.363 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.129 -2.765 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.148 -4.244 -4.479 1.00 0.00 H new ATOM 173 N PRO A 75 8.563 -6.466 -6.304 1.00 0.00 N ATOM 174 CA PRO A 75 9.620 -6.987 -7.176 1.00 0.00 C ATOM 175 C PRO A 75 10.995 -6.438 -6.811 1.00 0.00 C ATOM 176 O PRO A 75 11.116 -5.547 -5.971 1.00 0.00 O ATOM 177 CB PRO A 75 9.203 -6.503 -8.567 1.00 0.00 C ATOM 178 CG PRO A 75 8.375 -5.291 -8.314 1.00 0.00 C ATOM 179 CD PRO A 75 7.663 -5.540 -7.013 1.00 0.00 C ATOM 0 HA PRO A 75 9.716 -8.070 -7.098 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.072 -6.267 -9.181 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.635 -7.267 -9.098 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.998 -4.399 -8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.663 -5.129 -9.123 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.514 -4.617 -6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.678 -5.979 -7.171 1.00 0.00 H new ATOM 187 N GLY A 76 12.030 -6.976 -7.449 1.00 0.00 N ATOM 188 CA GLY A 76 13.383 -6.527 -7.178 1.00 0.00 C ATOM 189 C GLY A 76 13.691 -5.190 -7.823 1.00 0.00 C ATOM 190 O GLY A 76 14.656 -4.521 -7.452 1.00 0.00 O ATOM 0 H GLY A 76 11.956 -7.715 -8.149 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.527 -6.449 -6.100 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.090 -7.273 -7.541 1.00 0.00 H new ATOM 194 N ASP A 77 12.870 -4.800 -8.792 1.00 0.00 N ATOM 195 CA ASP A 77 13.060 -3.534 -9.491 1.00 0.00 C ATOM 196 C ASP A 77 12.010 -2.514 -9.063 1.00 0.00 C ATOM 197 O ASP A 77 11.813 -1.495 -9.724 1.00 0.00 O ATOM 198 CB ASP A 77 12.994 -3.748 -11.004 1.00 0.00 C ATOM 199 CG ASP A 77 14.200 -4.498 -11.536 1.00 0.00 C ATOM 200 OD1 ASP A 77 15.303 -4.320 -10.978 1.00 0.00 O ATOM 201 OD2 ASP A 77 14.040 -5.263 -12.509 1.00 0.00 O ATOM 0 H ASP A 77 12.067 -5.342 -9.111 1.00 0.00 H new ATOM 0 HA ASP A 77 14.045 -3.147 -9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.088 -4.301 -11.251 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.922 -2.781 -11.502 1.00 0.00 H new ATOM 206 N VAL A 78 11.336 -2.796 -7.952 1.00 0.00 N ATOM 207 CA VAL A 78 10.306 -1.904 -7.435 1.00 0.00 C ATOM 208 C VAL A 78 10.892 -0.549 -7.055 1.00 0.00 C ATOM 209 O VAL A 78 11.654 -0.436 -6.094 1.00 0.00 O ATOM 210 CB VAL A 78 9.604 -2.510 -6.205 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.598 -2.722 -5.073 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.454 -1.621 -5.756 1.00 0.00 C ATOM 0 H VAL A 78 11.485 -3.636 -7.393 1.00 0.00 H new ATOM 0 HA VAL A 78 9.575 -1.770 -8.232 1.00 0.00 H new ATOM 0 HB VAL A 78 9.195 -3.481 -6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.084 -3.151 -4.213 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.384 -3.402 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.039 -1.766 -4.792 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.969 -2.064 -4.886 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.837 -0.635 -5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.730 -1.526 -6.565 1.00 0.00 H new ATOM 222 N THR A 79 10.533 0.480 -7.817 1.00 0.00 N ATOM 223 CA THR A 79 11.023 1.828 -7.562 1.00 0.00 C ATOM 224 C THR A 79 9.874 2.784 -7.261 1.00 0.00 C ATOM 225 O THR A 79 8.710 2.464 -7.499 1.00 0.00 O ATOM 226 CB THR A 79 11.826 2.370 -8.759 1.00 0.00 C ATOM 227 OG1 THR A 79 12.404 3.638 -8.429 1.00 0.00 O ATOM 228 CG2 THR A 79 10.937 2.516 -9.985 1.00 0.00 C ATOM 0 H THR A 79 9.904 0.404 -8.616 1.00 0.00 H new ATOM 0 HA THR A 79 11.678 1.766 -6.693 1.00 0.00 H new ATOM 0 HB THR A 79 12.620 1.659 -8.987 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.914 3.974 -9.195 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.526 2.900 -10.818 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.523 1.544 -10.252 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.125 3.209 -9.765 1.00 0.00 H new ATOM 236 N ASN A 80 10.209 3.958 -6.736 1.00 0.00 N ATOM 237 CA ASN A 80 9.204 4.961 -6.403 1.00 0.00 C ATOM 238 C ASN A 80 8.322 5.268 -7.609 1.00 0.00 C ATOM 239 O ASN A 80 7.145 5.597 -7.461 1.00 0.00 O ATOM 240 CB ASN A 80 9.877 6.243 -5.908 1.00 0.00 C ATOM 241 CG ASN A 80 10.882 5.980 -4.804 1.00 0.00 C ATOM 242 OD1 ASN A 80 10.514 5.831 -3.638 1.00 0.00 O ATOM 243 ND2 ASN A 80 12.158 5.922 -5.166 1.00 0.00 N ATOM 0 H ASN A 80 11.168 4.238 -6.532 1.00 0.00 H new ATOM 0 HA ASN A 80 8.575 4.560 -5.608 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.379 6.732 -6.743 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.115 6.933 -5.545 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.879 5.748 -4.466 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.417 6.051 -6.144 1.00 0.00 H new ATOM 250 N GLN A 81 8.899 5.159 -8.801 1.00 0.00 N ATOM 251 CA GLN A 81 8.165 5.425 -10.032 1.00 0.00 C ATOM 252 C GLN A 81 7.034 4.420 -10.220 1.00 0.00 C ATOM 253 O GLN A 81 5.976 4.754 -10.753 1.00 0.00 O ATOM 254 CB GLN A 81 9.109 5.379 -11.234 1.00 0.00 C ATOM 255 CG GLN A 81 8.469 5.850 -12.530 1.00 0.00 C ATOM 256 CD GLN A 81 8.490 7.359 -12.676 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.522 7.948 -13.001 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.349 7.993 -12.437 1.00 0.00 N ATOM 0 H GLN A 81 9.873 4.888 -8.940 1.00 0.00 H new ATOM 0 HA GLN A 81 7.731 6.422 -9.958 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.981 5.998 -11.024 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.467 4.358 -11.365 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.992 5.400 -13.374 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.438 5.499 -12.570 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.518 7.465 -12.170 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.303 9.009 -12.520 1.00 0.00 H new ATOM 267 N GLU A 82 7.265 3.187 -9.779 1.00 0.00 N ATOM 268 CA GLU A 82 6.265 2.133 -9.901 1.00 0.00 C ATOM 269 C GLU A 82 5.024 2.462 -9.076 1.00 0.00 C ATOM 270 O GLU A 82 3.896 2.326 -9.549 1.00 0.00 O ATOM 271 CB GLU A 82 6.848 0.791 -9.451 1.00 0.00 C ATOM 272 CG GLU A 82 5.919 -0.387 -9.689 1.00 0.00 C ATOM 273 CD GLU A 82 5.587 -0.581 -11.156 1.00 0.00 C ATOM 274 OE1 GLU A 82 6.529 -0.697 -11.968 1.00 0.00 O ATOM 275 OE2 GLU A 82 4.385 -0.618 -11.492 1.00 0.00 O ATOM 0 H GLU A 82 8.135 2.894 -9.335 1.00 0.00 H new ATOM 0 HA GLU A 82 5.976 2.062 -10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.785 0.616 -9.979 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.086 0.846 -8.389 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.383 -1.294 -9.302 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.996 -0.236 -9.128 1.00 0.00 H new ATOM 282 N VAL A 83 5.241 2.896 -7.838 1.00 0.00 N ATOM 283 CA VAL A 83 4.142 3.245 -6.946 1.00 0.00 C ATOM 284 C VAL A 83 3.425 4.503 -7.425 1.00 0.00 C ATOM 285 O VAL A 83 2.200 4.599 -7.348 1.00 0.00 O ATOM 286 CB VAL A 83 4.638 3.467 -5.505 1.00 0.00 C ATOM 287 CG1 VAL A 83 5.087 2.152 -4.886 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.763 4.490 -5.480 1.00 0.00 C ATOM 0 H VAL A 83 6.168 3.014 -7.430 1.00 0.00 H new ATOM 0 HA VAL A 83 3.446 2.406 -6.957 1.00 0.00 H new ATOM 0 HB VAL A 83 3.811 3.857 -4.911 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.434 2.329 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.250 1.454 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.899 1.730 -5.478 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.101 4.634 -4.454 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.594 4.132 -6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.402 5.438 -5.880 1.00 0.00 H new ATOM 298 N HIS A 84 4.197 5.466 -7.919 1.00 0.00 N ATOM 299 CA HIS A 84 3.636 6.719 -8.411 1.00 0.00 C ATOM 300 C HIS A 84 2.736 6.473 -9.619 1.00 0.00 C ATOM 301 O HIS A 84 1.615 6.978 -9.683 1.00 0.00 O ATOM 302 CB HIS A 84 4.754 7.692 -8.783 1.00 0.00 C ATOM 303 CG HIS A 84 5.189 8.567 -7.647 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.470 9.665 -7.225 1.00 0.00 N ATOM 305 CD2 HIS A 84 6.276 8.499 -6.844 1.00 0.00 C ATOM 306 CE1 HIS A 84 5.097 10.236 -6.212 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.196 9.547 -5.960 1.00 0.00 N ATOM 0 H HIS A 84 5.213 5.402 -7.989 1.00 0.00 H new ATOM 0 HA HIS A 84 3.035 7.157 -7.614 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.612 7.125 -9.144 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.418 8.321 -9.607 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.591 9.986 -7.631 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.061 7.758 -6.890 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.767 11.116 -5.680 1.00 0.00 H new ATOM 316 N ASP A 85 3.236 5.697 -10.574 1.00 0.00 N ATOM 317 CA ASP A 85 2.478 5.384 -11.780 1.00 0.00 C ATOM 318 C ASP A 85 1.218 4.594 -11.441 1.00 0.00 C ATOM 319 O ASP A 85 0.168 4.784 -12.056 1.00 0.00 O ATOM 320 CB ASP A 85 3.343 4.592 -12.761 1.00 0.00 C ATOM 321 CG ASP A 85 2.774 4.593 -14.166 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.305 5.659 -14.617 1.00 0.00 O ATOM 323 OD2 ASP A 85 2.799 3.527 -14.816 1.00 0.00 O ATOM 0 H ASP A 85 4.163 5.273 -10.537 1.00 0.00 H new ATOM 0 HA ASP A 85 2.181 6.323 -12.246 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.347 5.015 -12.779 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.436 3.564 -12.411 1.00 0.00 H new ATOM 328 N LEU A 86 1.330 3.707 -10.458 1.00 0.00 N ATOM 329 CA LEU A 86 0.200 2.886 -10.037 1.00 0.00 C ATOM 330 C LEU A 86 -0.916 3.750 -9.459 1.00 0.00 C ATOM 331 O LEU A 86 -2.095 3.525 -9.733 1.00 0.00 O ATOM 332 CB LEU A 86 0.651 1.855 -9.000 1.00 0.00 C ATOM 333 CG LEU A 86 -0.438 0.931 -8.454 1.00 0.00 C ATOM 334 CD1 LEU A 86 -1.031 0.087 -9.571 1.00 0.00 C ATOM 335 CD2 LEU A 86 0.120 0.044 -7.351 1.00 0.00 C ATOM 0 H LEU A 86 2.191 3.538 -9.938 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.185 2.366 -10.914 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.432 1.239 -9.446 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.103 2.386 -8.162 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.232 1.546 -8.031 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.804 -0.564 -9.164 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.467 0.739 -10.327 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.247 -0.520 -10.024 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.669 -0.607 -6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.933 -0.563 -7.749 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.496 0.666 -6.539 1.00 0.00 H new ATOM 347 N LEU A 87 -0.535 4.741 -8.660 1.00 0.00 N ATOM 348 CA LEU A 87 -1.504 5.642 -8.045 1.00 0.00 C ATOM 349 C LEU A 87 -1.382 7.049 -8.622 1.00 0.00 C ATOM 350 O LEU A 87 -1.551 8.039 -7.911 1.00 0.00 O ATOM 351 CB LEU A 87 -1.302 5.681 -6.529 1.00 0.00 C ATOM 352 CG LEU A 87 -1.991 4.573 -5.732 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.358 4.433 -4.356 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.482 4.853 -5.609 1.00 0.00 C ATOM 0 H LEU A 87 0.437 4.941 -8.423 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.503 5.265 -8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.232 5.637 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.659 6.642 -6.160 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.861 3.632 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.861 3.640 -3.803 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.302 4.186 -4.465 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.457 5.373 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.956 4.054 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.633 5.803 -5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.926 4.902 -6.603 1.00 0.00 H new ATOM 366 N SER A 88 -1.089 7.129 -9.916 1.00 0.00 N ATOM 367 CA SER A 88 -0.943 8.414 -10.589 1.00 0.00 C ATOM 368 C SER A 88 -2.303 8.968 -11.003 1.00 0.00 C ATOM 369 O SER A 88 -2.391 9.857 -11.851 1.00 0.00 O ATOM 370 CB SER A 88 -0.042 8.272 -11.817 1.00 0.00 C ATOM 371 OG SER A 88 0.651 9.478 -12.084 1.00 0.00 O ATOM 0 H SER A 88 -0.948 6.319 -10.519 1.00 0.00 H new ATOM 0 HA SER A 88 -0.483 9.112 -9.889 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.674 7.466 -11.655 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.643 7.995 -12.683 1.00 0.00 H new ATOM 0 HG SER A 88 1.221 9.360 -12.873 1.00 0.00 H new ATOM 377 N ASP A 89 -3.359 8.437 -10.398 1.00 0.00 N ATOM 378 CA ASP A 89 -4.716 8.878 -10.702 1.00 0.00 C ATOM 379 C ASP A 89 -5.307 9.661 -9.534 1.00 0.00 C ATOM 380 O ASP A 89 -6.186 10.504 -9.720 1.00 0.00 O ATOM 381 CB ASP A 89 -5.604 7.677 -11.029 1.00 0.00 C ATOM 382 CG ASP A 89 -5.416 7.187 -12.452 1.00 0.00 C ATOM 383 OD1 ASP A 89 -4.271 7.234 -12.949 1.00 0.00 O ATOM 384 OD2 ASP A 89 -6.414 6.758 -13.067 1.00 0.00 O ATOM 0 H ASP A 89 -3.302 7.701 -9.694 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.672 9.535 -11.571 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.382 6.865 -10.336 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.648 7.949 -10.877 1.00 0.00 H new ATOM 389 N TYR A 90 -4.821 9.377 -8.331 1.00 0.00 N ATOM 390 CA TYR A 90 -5.303 10.052 -7.133 1.00 0.00 C ATOM 391 C TYR A 90 -4.280 11.064 -6.628 1.00 0.00 C ATOM 392 O TYR A 90 -3.213 11.230 -7.218 1.00 0.00 O ATOM 393 CB TYR A 90 -5.611 9.031 -6.036 1.00 0.00 C ATOM 394 CG TYR A 90 -6.366 7.818 -6.532 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.710 6.793 -7.202 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.736 7.698 -6.331 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.396 5.684 -7.658 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.430 6.592 -6.782 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.756 5.588 -7.445 1.00 0.00 C ATOM 400 OH TYR A 90 -8.442 4.484 -7.896 1.00 0.00 O ATOM 0 H TYR A 90 -4.093 8.683 -8.160 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.218 10.586 -7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.675 8.705 -5.581 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.194 9.516 -5.253 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.645 6.864 -7.369 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.267 8.483 -5.813 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.871 4.897 -8.178 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.494 6.514 -6.616 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.390 4.571 -7.665 1.00 0.00 H new ATOM 410 N GLU A 91 -4.614 11.737 -5.531 1.00 0.00 N ATOM 411 CA GLU A 91 -3.724 12.733 -4.946 1.00 0.00 C ATOM 412 C GLU A 91 -2.723 12.078 -3.997 1.00 0.00 C ATOM 413 O GLU A 91 -3.087 11.615 -2.916 1.00 0.00 O ATOM 414 CB GLU A 91 -4.532 13.795 -4.198 1.00 0.00 C ATOM 415 CG GLU A 91 -4.939 14.973 -5.066 1.00 0.00 C ATOM 416 CD GLU A 91 -3.861 16.036 -5.150 1.00 0.00 C ATOM 417 OE1 GLU A 91 -3.295 16.390 -4.094 1.00 0.00 O ATOM 418 OE2 GLU A 91 -3.584 16.515 -6.269 1.00 0.00 O ATOM 0 H GLU A 91 -5.494 11.611 -5.030 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.172 13.210 -5.756 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.428 13.333 -3.784 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.944 14.161 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.172 14.617 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.851 15.416 -4.666 1.00 0.00 H new ATOM 425 N LEU A 92 -1.461 12.043 -4.411 1.00 0.00 N ATOM 426 CA LEU A 92 -0.406 11.445 -3.599 1.00 0.00 C ATOM 427 C LEU A 92 0.208 12.477 -2.659 1.00 0.00 C ATOM 428 O LEU A 92 1.109 13.224 -3.041 1.00 0.00 O ATOM 429 CB LEU A 92 0.678 10.848 -4.497 1.00 0.00 C ATOM 430 CG LEU A 92 0.340 9.512 -5.160 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.374 9.165 -6.220 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.252 8.407 -4.117 1.00 0.00 C ATOM 0 H LEU A 92 -1.143 12.421 -5.303 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.849 10.651 -2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.912 11.570 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.583 10.717 -3.903 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.631 9.605 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.117 8.211 -6.681 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.389 9.944 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.358 9.091 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.011 7.463 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.209 8.315 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.527 8.650 -3.394 1.00 0.00 H new ATOM 444 N LYS A 93 -0.285 12.512 -1.425 1.00 0.00 N ATOM 445 CA LYS A 93 0.217 13.449 -0.427 1.00 0.00 C ATOM 446 C LYS A 93 1.555 12.980 0.136 1.00 0.00 C ATOM 447 O LYS A 93 2.405 13.792 0.502 1.00 0.00 O ATOM 448 CB LYS A 93 -0.797 13.609 0.708 1.00 0.00 C ATOM 449 CG LYS A 93 -2.081 14.301 0.283 1.00 0.00 C ATOM 450 CD LYS A 93 -1.880 15.798 0.119 1.00 0.00 C ATOM 451 CE LYS A 93 -2.934 16.405 -0.794 1.00 0.00 C ATOM 452 NZ LYS A 93 -2.906 17.894 -0.759 1.00 0.00 N ATOM 0 H LYS A 93 -1.032 11.902 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 93 0.365 14.413 -0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.040 12.625 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.338 14.178 1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.431 13.875 -0.657 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.858 14.116 1.025 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.921 16.281 1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.888 15.990 -0.290 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.770 16.062 -1.816 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.921 16.053 -0.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.639 18.270 -1.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.087 18.222 0.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.972 18.231 -1.070 1.00 0.00 H new ATOM 466 N TYR A 94 1.736 11.666 0.201 1.00 0.00 N ATOM 467 CA TYR A 94 2.971 11.089 0.720 1.00 0.00 C ATOM 468 C TYR A 94 3.264 9.745 0.060 1.00 0.00 C ATOM 469 O TYR A 94 2.388 8.884 -0.036 1.00 0.00 O ATOM 470 CB TYR A 94 2.879 10.915 2.237 1.00 0.00 C ATOM 471 CG TYR A 94 4.012 10.104 2.823 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.307 10.226 2.332 1.00 0.00 C ATOM 473 CD2 TYR A 94 3.789 9.214 3.866 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.345 9.487 2.864 1.00 0.00 C ATOM 475 CE2 TYR A 94 4.822 8.472 4.405 1.00 0.00 C ATOM 476 CZ TYR A 94 6.098 8.611 3.901 1.00 0.00 C ATOM 477 OH TYR A 94 7.129 7.872 4.434 1.00 0.00 O ATOM 0 H TYR A 94 1.043 10.980 -0.099 1.00 0.00 H new ATOM 0 HA TYR A 94 3.787 11.773 0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.866 11.898 2.707 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.933 10.432 2.482 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.504 10.911 1.520 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.791 9.100 4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.345 9.594 2.470 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.631 7.786 5.217 1.00 0.00 H new ATOM 0 HH TYR A 94 7.893 7.886 3.820 1.00 0.00 H new ATOM 487 N CYS A 95 4.500 9.573 -0.393 1.00 0.00 N ATOM 488 CA CYS A 95 4.911 8.334 -1.045 1.00 0.00 C ATOM 489 C CYS A 95 6.146 7.748 -0.369 1.00 0.00 C ATOM 490 O CYS A 95 7.139 8.445 -0.154 1.00 0.00 O ATOM 491 CB CYS A 95 5.195 8.583 -2.527 1.00 0.00 C ATOM 492 SG CYS A 95 6.581 9.702 -2.835 1.00 0.00 S ATOM 0 H CYS A 95 5.236 10.276 -0.321 1.00 0.00 H new ATOM 0 HA CYS A 95 4.095 7.617 -0.955 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.398 7.628 -3.012 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.300 8.994 -2.993 1.00 0.00 H new ATOM 0 HG CYS A 95 6.593 10.043 -4.089 1.00 0.00 H new ATOM 498 N PHE A 96 6.078 6.464 -0.035 1.00 0.00 N ATOM 499 CA PHE A 96 7.191 5.784 0.619 1.00 0.00 C ATOM 500 C PHE A 96 7.406 4.396 0.022 1.00 0.00 C ATOM 501 O PHE A 96 6.456 3.642 -0.184 1.00 0.00 O ATOM 502 CB PHE A 96 6.933 5.670 2.123 1.00 0.00 C ATOM 503 CG PHE A 96 8.063 5.031 2.878 1.00 0.00 C ATOM 504 CD1 PHE A 96 9.164 5.777 3.266 1.00 0.00 C ATOM 505 CD2 PHE A 96 8.024 3.683 3.199 1.00 0.00 C ATOM 506 CE1 PHE A 96 10.206 5.190 3.960 1.00 0.00 C ATOM 507 CE2 PHE A 96 9.063 3.091 3.893 1.00 0.00 C ATOM 508 CZ PHE A 96 10.154 3.846 4.275 1.00 0.00 C ATOM 0 H PHE A 96 5.264 5.873 -0.206 1.00 0.00 H new ATOM 0 HA PHE A 96 8.092 6.375 0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.752 6.665 2.529 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.024 5.090 2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.209 6.829 3.024 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.172 3.088 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.060 5.782 4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.021 2.040 4.136 1.00 0.00 H new ATOM 0 HZ PHE A 96 10.966 3.386 4.819 1.00 0.00 H new ATOM 518 N VAL A 97 8.664 4.067 -0.254 1.00 0.00 N ATOM 519 CA VAL A 97 9.006 2.770 -0.827 1.00 0.00 C ATOM 520 C VAL A 97 10.203 2.152 -0.112 1.00 0.00 C ATOM 521 O VAL A 97 11.299 2.713 -0.116 1.00 0.00 O ATOM 522 CB VAL A 97 9.324 2.887 -2.330 1.00 0.00 C ATOM 523 CG1 VAL A 97 9.855 1.567 -2.867 1.00 0.00 C ATOM 524 CG2 VAL A 97 8.090 3.329 -3.102 1.00 0.00 C ATOM 0 H VAL A 97 9.463 4.680 -0.090 1.00 0.00 H new ATOM 0 HA VAL A 97 8.136 2.126 -0.696 1.00 0.00 H new ATOM 0 HB VAL A 97 10.098 3.643 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.074 1.668 -3.930 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.766 1.297 -2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.106 0.788 -2.724 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.332 3.407 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.293 2.598 -2.964 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.759 4.300 -2.734 1.00 0.00 H new ATOM 534 N ASP A 98 9.985 0.994 0.500 1.00 0.00 N ATOM 535 CA ASP A 98 11.046 0.297 1.218 1.00 0.00 C ATOM 536 C ASP A 98 11.346 -1.052 0.572 1.00 0.00 C ATOM 537 O ASP A 98 10.617 -2.024 0.771 1.00 0.00 O ATOM 538 CB ASP A 98 10.654 0.099 2.683 1.00 0.00 C ATOM 539 CG ASP A 98 11.736 -0.602 3.482 1.00 0.00 C ATOM 540 OD1 ASP A 98 12.472 -1.420 2.893 1.00 0.00 O ATOM 541 OD2 ASP A 98 11.845 -0.332 4.697 1.00 0.00 O ATOM 0 H ASP A 98 9.083 0.518 0.514 1.00 0.00 H new ATOM 0 HA ASP A 98 11.946 0.910 1.170 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.444 1.069 3.134 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.734 -0.483 2.734 1.00 0.00 H new ATOM 546 N LYS A 99 12.423 -1.104 -0.205 1.00 0.00 N ATOM 547 CA LYS A 99 12.820 -2.333 -0.882 1.00 0.00 C ATOM 548 C LYS A 99 13.336 -3.362 0.119 1.00 0.00 C ATOM 549 O LYS A 99 13.042 -4.553 0.006 1.00 0.00 O ATOM 550 CB LYS A 99 13.897 -2.038 -1.927 1.00 0.00 C ATOM 551 CG LYS A 99 15.194 -1.513 -1.334 1.00 0.00 C ATOM 552 CD LYS A 99 16.078 -0.883 -2.397 1.00 0.00 C ATOM 553 CE LYS A 99 16.898 -1.932 -3.134 1.00 0.00 C ATOM 554 NZ LYS A 99 17.486 -1.393 -4.391 1.00 0.00 N ATOM 0 H LYS A 99 13.037 -0.309 -0.381 1.00 0.00 H new ATOM 0 HA LYS A 99 11.942 -2.745 -1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 99 14.106 -2.949 -2.488 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.511 -1.308 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.970 -0.777 -0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.731 -2.329 -0.850 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.459 -0.337 -3.109 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.746 -0.157 -1.933 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.696 -2.291 -2.484 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.266 -2.789 -3.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.037 -2.138 -4.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 16.723 -1.073 -5.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.109 -0.591 -4.167 1.00 0.00 H new ATOM 568 N TYR A 100 14.103 -2.896 1.098 1.00 0.00 N ATOM 569 CA TYR A 100 14.660 -3.777 2.118 1.00 0.00 C ATOM 570 C TYR A 100 13.617 -4.781 2.599 1.00 0.00 C ATOM 571 O TYR A 100 13.754 -5.986 2.388 1.00 0.00 O ATOM 572 CB TYR A 100 15.180 -2.958 3.300 1.00 0.00 C ATOM 573 CG TYR A 100 15.989 -1.748 2.890 1.00 0.00 C ATOM 574 CD1 TYR A 100 17.113 -1.881 2.084 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.630 -0.473 3.309 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.856 -0.779 1.707 1.00 0.00 C ATOM 577 CE2 TYR A 100 16.366 0.635 2.936 1.00 0.00 C ATOM 578 CZ TYR A 100 17.478 0.477 2.136 1.00 0.00 C ATOM 579 OH TYR A 100 18.215 1.578 1.763 1.00 0.00 O ATOM 0 H TYR A 100 14.353 -1.913 1.207 1.00 0.00 H new ATOM 0 HA TYR A 100 15.489 -4.327 1.674 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.334 -2.631 3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.795 -3.598 3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 100 17.411 -2.863 1.746 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.761 -0.346 3.937 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.727 -0.900 1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 100 16.072 1.619 3.269 1.00 0.00 H new ATOM 0 HH TYR A 100 17.814 2.385 2.148 1.00 0.00 H new ATOM 589 N LYS A 101 12.573 -4.275 3.246 1.00 0.00 N ATOM 590 CA LYS A 101 11.504 -5.124 3.757 1.00 0.00 C ATOM 591 C LYS A 101 10.695 -5.728 2.614 1.00 0.00 C ATOM 592 O LYS A 101 10.236 -6.866 2.698 1.00 0.00 O ATOM 593 CB LYS A 101 10.583 -4.322 4.679 1.00 0.00 C ATOM 594 CG LYS A 101 11.328 -3.504 5.720 1.00 0.00 C ATOM 595 CD LYS A 101 11.545 -4.294 7.000 1.00 0.00 C ATOM 596 CE LYS A 101 12.859 -5.059 6.966 1.00 0.00 C ATOM 597 NZ LYS A 101 14.034 -4.144 6.969 1.00 0.00 N ATOM 0 H LYS A 101 12.444 -3.280 3.429 1.00 0.00 H new ATOM 0 HA LYS A 101 11.959 -5.935 4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.970 -3.654 4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.903 -5.007 5.186 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.291 -3.191 5.317 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.766 -2.597 5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.540 -3.615 7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 101 10.720 -4.992 7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.914 -5.724 7.828 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.890 -5.687 6.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.867 -4.650 7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.221 -3.816 6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.835 -3.326 7.579 1.00 0.00 H new ATOM 611 N GLY A 102 10.525 -4.957 1.543 1.00 0.00 N ATOM 612 CA GLY A 102 9.773 -5.434 0.398 1.00 0.00 C ATOM 613 C GLY A 102 8.327 -4.978 0.423 1.00 0.00 C ATOM 614 O GLY A 102 7.438 -5.679 -0.062 1.00 0.00 O ATOM 0 H GLY A 102 10.895 -4.011 1.449 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.247 -5.079 -0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.807 -6.523 0.373 1.00 0.00 H new ATOM 618 N THR A 103 8.089 -3.801 0.992 1.00 0.00 N ATOM 619 CA THR A 103 6.742 -3.254 1.082 1.00 0.00 C ATOM 620 C THR A 103 6.721 -1.778 0.702 1.00 0.00 C ATOM 621 O THR A 103 7.769 -1.148 0.563 1.00 0.00 O ATOM 622 CB THR A 103 6.163 -3.415 2.501 1.00 0.00 C ATOM 623 OG1 THR A 103 6.958 -2.683 3.440 1.00 0.00 O ATOM 624 CG2 THR A 103 6.116 -4.881 2.902 1.00 0.00 C ATOM 0 H THR A 103 8.813 -3.208 1.398 1.00 0.00 H new ATOM 0 HA THR A 103 6.126 -3.816 0.380 1.00 0.00 H new ATOM 0 HB THR A 103 5.146 -3.022 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.403 -2.006 3.880 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.704 -4.970 3.907 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.486 -5.430 2.202 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.124 -5.295 2.885 1.00 0.00 H new ATOM 632 N ALA A 104 5.521 -1.231 0.535 1.00 0.00 N ATOM 633 CA ALA A 104 5.364 0.172 0.174 1.00 0.00 C ATOM 634 C ALA A 104 4.198 0.806 0.926 1.00 0.00 C ATOM 635 O ALA A 104 3.093 0.263 0.949 1.00 0.00 O ATOM 636 CB ALA A 104 5.164 0.311 -1.328 1.00 0.00 C ATOM 0 H ALA A 104 4.643 -1.739 0.644 1.00 0.00 H new ATOM 0 HA ALA A 104 6.275 0.699 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.048 1.364 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.030 -0.096 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.270 -0.236 -1.628 1.00 0.00 H new ATOM 642 N PHE A 105 4.452 1.957 1.539 1.00 0.00 N ATOM 643 CA PHE A 105 3.423 2.664 2.294 1.00 0.00 C ATOM 644 C PHE A 105 3.117 4.017 1.660 1.00 0.00 C ATOM 645 O PHE A 105 4.010 4.844 1.473 1.00 0.00 O ATOM 646 CB PHE A 105 3.867 2.856 3.745 1.00 0.00 C ATOM 647 CG PHE A 105 3.990 1.570 4.511 1.00 0.00 C ATOM 648 CD1 PHE A 105 5.184 0.869 4.527 1.00 0.00 C ATOM 649 CD2 PHE A 105 2.909 1.061 5.213 1.00 0.00 C ATOM 650 CE1 PHE A 105 5.300 -0.316 5.230 1.00 0.00 C ATOM 651 CE2 PHE A 105 3.019 -0.122 5.919 1.00 0.00 C ATOM 652 CZ PHE A 105 4.216 -0.812 5.926 1.00 0.00 C ATOM 0 H PHE A 105 5.361 2.420 1.528 1.00 0.00 H new ATOM 0 HA PHE A 105 2.515 2.061 2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.828 3.370 3.757 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.153 3.504 4.252 1.00 0.00 H new ATOM 0 HD1 PHE A 105 6.035 1.252 3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 105 1.970 1.595 5.208 1.00 0.00 H new ATOM 0 HE1 PHE A 105 6.237 -0.853 5.235 1.00 0.00 H new ATOM 0 HE2 PHE A 105 2.170 -0.507 6.465 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.303 -1.738 6.475 1.00 0.00 H new ATOM 662 N VAL A 106 1.849 4.237 1.330 1.00 0.00 N ATOM 663 CA VAL A 106 1.423 5.489 0.717 1.00 0.00 C ATOM 664 C VAL A 106 0.219 6.076 1.445 1.00 0.00 C ATOM 665 O VAL A 106 -0.633 5.344 1.950 1.00 0.00 O ATOM 666 CB VAL A 106 1.067 5.295 -0.769 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.814 6.638 -1.437 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.171 4.533 -1.485 1.00 0.00 C ATOM 0 H VAL A 106 1.098 3.563 1.477 1.00 0.00 H new ATOM 0 HA VAL A 106 2.262 6.180 0.794 1.00 0.00 H new ATOM 0 HB VAL A 106 0.151 4.707 -0.832 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.564 6.481 -2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.014 7.142 -0.938 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.710 7.254 -1.366 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.903 4.405 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.104 5.092 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.298 3.555 -1.021 1.00 0.00 H new ATOM 678 N THR A 107 0.153 7.403 1.494 1.00 0.00 N ATOM 679 CA THR A 107 -0.947 8.089 2.161 1.00 0.00 C ATOM 680 C THR A 107 -1.762 8.912 1.170 1.00 0.00 C ATOM 681 O THR A 107 -1.252 9.854 0.562 1.00 0.00 O ATOM 682 CB THR A 107 -0.436 9.014 3.281 1.00 0.00 C ATOM 683 OG1 THR A 107 0.499 8.311 4.108 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.590 9.522 4.132 1.00 0.00 C ATOM 0 H THR A 107 0.848 8.024 1.080 1.00 0.00 H new ATOM 0 HA THR A 107 -1.582 7.318 2.598 1.00 0.00 H new ATOM 0 HB THR A 107 0.058 9.869 2.819 1.00 0.00 H new ATOM 0 HG1 THR A 107 0.821 8.906 4.817 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.204 10.173 4.916 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.286 10.081 3.506 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.108 8.676 4.585 1.00 0.00 H new ATOM 692 N LEU A 108 -3.031 8.553 1.012 1.00 0.00 N ATOM 693 CA LEU A 108 -3.918 9.259 0.095 1.00 0.00 C ATOM 694 C LEU A 108 -4.654 10.388 0.810 1.00 0.00 C ATOM 695 O LEU A 108 -4.519 10.561 2.022 1.00 0.00 O ATOM 696 CB LEU A 108 -4.926 8.288 -0.522 1.00 0.00 C ATOM 697 CG LEU A 108 -4.466 7.552 -1.781 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.356 6.349 -2.051 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.462 8.494 -2.976 1.00 0.00 C ATOM 0 H LEU A 108 -3.469 7.776 1.508 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.309 9.692 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.193 7.546 0.231 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.834 8.842 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.448 7.196 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -5.014 5.838 -2.951 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.309 5.664 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.384 6.682 -2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -4.132 7.954 -3.864 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.468 8.879 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.782 9.324 -2.783 1.00 0.00 H new ATOM 711 N LEU A 109 -5.434 11.151 0.053 1.00 0.00 N ATOM 712 CA LEU A 109 -6.195 12.263 0.615 1.00 0.00 C ATOM 713 C LEU A 109 -7.200 11.767 1.649 1.00 0.00 C ATOM 714 O LEU A 109 -7.025 11.975 2.849 1.00 0.00 O ATOM 715 CB LEU A 109 -6.922 13.022 -0.497 1.00 0.00 C ATOM 716 CG LEU A 109 -7.859 14.142 -0.042 1.00 0.00 C ATOM 717 CD1 LEU A 109 -7.099 15.177 0.772 1.00 0.00 C ATOM 718 CD2 LEU A 109 -8.533 14.793 -1.241 1.00 0.00 C ATOM 0 H LEU A 109 -5.557 11.021 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.496 12.937 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.175 13.449 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -7.500 12.306 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.632 13.708 0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.782 15.966 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.665 14.701 1.651 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.304 15.607 0.163 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.196 15.588 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.774 15.213 -1.901 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.112 14.045 -1.783 1.00 0.00 H new ATOM 730 N ASN A 110 -8.253 11.108 1.175 1.00 0.00 N ATOM 731 CA ASN A 110 -9.286 10.580 2.059 1.00 0.00 C ATOM 732 C ASN A 110 -9.327 9.056 1.999 1.00 0.00 C ATOM 733 O ASN A 110 -8.507 8.429 1.331 1.00 0.00 O ATOM 734 CB ASN A 110 -10.652 11.154 1.680 1.00 0.00 C ATOM 735 CG ASN A 110 -10.585 12.628 1.332 1.00 0.00 C ATOM 736 OD1 ASN A 110 -10.273 13.464 2.181 1.00 0.00 O ATOM 737 ND2 ASN A 110 -10.877 12.955 0.078 1.00 0.00 N ATOM 0 H ASN A 110 -8.413 10.927 0.184 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.044 10.879 3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.052 10.601 0.830 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -11.346 11.011 2.509 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.848 13.932 -0.214 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.130 12.229 -0.592 1.00 0.00 H new ATOM 744 N GLY A 111 -10.289 8.467 2.703 1.00 0.00 N ATOM 745 CA GLY A 111 -10.420 7.022 2.717 1.00 0.00 C ATOM 746 C GLY A 111 -11.093 6.489 1.468 1.00 0.00 C ATOM 747 O GLY A 111 -11.079 5.286 1.213 1.00 0.00 O ATOM 0 H GLY A 111 -10.980 8.965 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.432 6.572 2.814 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.995 6.721 3.593 1.00 0.00 H new ATOM 751 N GLU A 112 -11.686 7.388 0.688 1.00 0.00 N ATOM 752 CA GLU A 112 -12.371 7.000 -0.540 1.00 0.00 C ATOM 753 C GLU A 112 -11.374 6.517 -1.589 1.00 0.00 C ATOM 754 O GLU A 112 -11.583 5.487 -2.230 1.00 0.00 O ATOM 755 CB GLU A 112 -13.179 8.176 -1.093 1.00 0.00 C ATOM 756 CG GLU A 112 -12.412 9.026 -2.091 1.00 0.00 C ATOM 757 CD GLU A 112 -13.251 10.153 -2.663 1.00 0.00 C ATOM 758 OE1 GLU A 112 -14.463 9.942 -2.876 1.00 0.00 O ATOM 759 OE2 GLU A 112 -12.694 11.245 -2.899 1.00 0.00 O ATOM 0 H GLU A 112 -11.706 8.389 0.884 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.050 6.181 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -14.080 7.793 -1.572 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.501 8.806 -0.264 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -11.531 9.445 -1.605 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.057 8.393 -2.904 1.00 0.00 H new ATOM 766 N GLN A 113 -10.291 7.268 -1.759 1.00 0.00 N ATOM 767 CA GLN A 113 -9.262 6.917 -2.731 1.00 0.00 C ATOM 768 C GLN A 113 -8.495 5.676 -2.287 1.00 0.00 C ATOM 769 O GLN A 113 -8.106 4.848 -3.110 1.00 0.00 O ATOM 770 CB GLN A 113 -8.295 8.086 -2.927 1.00 0.00 C ATOM 771 CG GLN A 113 -8.990 9.414 -3.182 1.00 0.00 C ATOM 772 CD GLN A 113 -8.025 10.582 -3.207 1.00 0.00 C ATOM 773 OE1 GLN A 113 -6.829 10.420 -2.958 1.00 0.00 O ATOM 774 NE2 GLN A 113 -8.539 11.769 -3.508 1.00 0.00 N ATOM 0 H GLN A 113 -10.103 8.124 -1.236 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.753 6.699 -3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.666 8.179 -2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.635 7.864 -3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.520 9.365 -4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.739 9.583 -2.408 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.535 11.858 -3.707 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.937 12.592 -3.540 1.00 0.00 H new ATOM 783 N ALA A 114 -8.281 5.554 -0.981 1.00 0.00 N ATOM 784 CA ALA A 114 -7.561 4.414 -0.428 1.00 0.00 C ATOM 785 C ALA A 114 -8.318 3.114 -0.677 1.00 0.00 C ATOM 786 O ALA A 114 -7.734 2.117 -1.101 1.00 0.00 O ATOM 787 CB ALA A 114 -7.324 4.611 1.062 1.00 0.00 C ATOM 0 H ALA A 114 -8.596 6.231 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.597 4.346 -0.932 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.785 3.752 1.461 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.735 5.514 1.220 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.282 4.708 1.573 1.00 0.00 H new ATOM 793 N GLU A 115 -9.621 3.132 -0.411 1.00 0.00 N ATOM 794 CA GLU A 115 -10.456 1.953 -0.606 1.00 0.00 C ATOM 795 C GLU A 115 -10.451 1.518 -2.068 1.00 0.00 C ATOM 796 O GLU A 115 -10.303 0.335 -2.374 1.00 0.00 O ATOM 797 CB GLU A 115 -11.890 2.236 -0.152 1.00 0.00 C ATOM 798 CG GLU A 115 -12.892 1.191 -0.613 1.00 0.00 C ATOM 799 CD GLU A 115 -14.080 1.070 0.322 1.00 0.00 C ATOM 800 OE1 GLU A 115 -14.691 2.110 0.643 1.00 0.00 O ATOM 801 OE2 GLU A 115 -14.398 -0.067 0.731 1.00 0.00 O ATOM 0 H GLU A 115 -10.120 3.949 -0.060 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.044 1.144 -0.003 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.913 2.294 0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.196 3.212 -0.530 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.245 1.447 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.394 0.224 -0.689 1.00 0.00 H new ATOM 808 N ALA A 116 -10.613 2.483 -2.967 1.00 0.00 N ATOM 809 CA ALA A 116 -10.625 2.201 -4.397 1.00 0.00 C ATOM 810 C ALA A 116 -9.302 1.592 -4.848 1.00 0.00 C ATOM 811 O ALA A 116 -9.280 0.633 -5.619 1.00 0.00 O ATOM 812 CB ALA A 116 -10.919 3.470 -5.183 1.00 0.00 C ATOM 0 H ALA A 116 -10.738 3.467 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.414 1.475 -4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.925 3.244 -6.249 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.893 3.862 -4.890 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.150 4.214 -4.974 1.00 0.00 H new ATOM 818 N ALA A 117 -8.201 2.156 -4.363 1.00 0.00 N ATOM 819 CA ALA A 117 -6.873 1.667 -4.716 1.00 0.00 C ATOM 820 C ALA A 117 -6.633 0.273 -4.146 1.00 0.00 C ATOM 821 O ALA A 117 -6.101 -0.603 -4.829 1.00 0.00 O ATOM 822 CB ALA A 117 -5.807 2.633 -4.221 1.00 0.00 C ATOM 0 H ALA A 117 -8.202 2.952 -3.725 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.812 1.602 -5.802 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.821 2.256 -4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.960 3.610 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.875 2.726 -3.137 1.00 0.00 H new ATOM 828 N ILE A 118 -7.026 0.076 -2.892 1.00 0.00 N ATOM 829 CA ILE A 118 -6.852 -1.212 -2.232 1.00 0.00 C ATOM 830 C ILE A 118 -7.744 -2.277 -2.862 1.00 0.00 C ATOM 831 O ILE A 118 -7.330 -3.422 -3.038 1.00 0.00 O ATOM 832 CB ILE A 118 -7.166 -1.120 -0.727 1.00 0.00 C ATOM 833 CG1 ILE A 118 -6.149 -0.219 -0.026 1.00 0.00 C ATOM 834 CG2 ILE A 118 -7.173 -2.507 -0.102 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.593 0.242 1.345 1.00 0.00 C ATOM 0 H ILE A 118 -7.467 0.791 -2.313 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.807 -1.494 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.157 -0.682 -0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.205 -0.755 0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.959 0.654 -0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.396 -2.426 0.962 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.933 -3.121 -0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.195 -2.970 -0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.823 0.877 1.783 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.521 0.807 1.256 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.756 -0.625 1.985 1.00 0.00 H new ATOM 847 N ASN A 119 -8.969 -1.891 -3.201 1.00 0.00 N ATOM 848 CA ASN A 119 -9.920 -2.812 -3.813 1.00 0.00 C ATOM 849 C ASN A 119 -9.346 -3.416 -5.091 1.00 0.00 C ATOM 850 O ASN A 119 -9.411 -4.627 -5.303 1.00 0.00 O ATOM 851 CB ASN A 119 -11.234 -2.092 -4.121 1.00 0.00 C ATOM 852 CG ASN A 119 -12.431 -3.020 -4.056 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.302 -4.231 -4.232 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.605 -2.454 -3.801 1.00 0.00 N ATOM 0 H ASN A 119 -9.327 -0.946 -3.062 1.00 0.00 H new ATOM 0 HA ASN A 119 -10.113 -3.618 -3.106 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.372 -1.275 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.177 -1.646 -5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.446 -3.028 -3.744 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.665 -1.445 -3.662 1.00 0.00 H new ATOM 861 N THR A 120 -8.783 -2.563 -5.941 1.00 0.00 N ATOM 862 CA THR A 120 -8.198 -3.011 -7.199 1.00 0.00 C ATOM 863 C THR A 120 -6.824 -3.633 -6.975 1.00 0.00 C ATOM 864 O THR A 120 -6.538 -4.724 -7.468 1.00 0.00 O ATOM 865 CB THR A 120 -8.067 -1.850 -8.203 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.343 -1.238 -8.413 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.510 -2.343 -9.530 1.00 0.00 C ATOM 0 H THR A 120 -8.720 -1.558 -5.781 1.00 0.00 H new ATOM 0 HA THR A 120 -8.871 -3.763 -7.611 1.00 0.00 H new ATOM 0 HB THR A 120 -7.377 -1.116 -7.788 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.251 -0.500 -9.051 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.426 -1.506 -10.223 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.525 -2.782 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 120 -8.179 -3.095 -9.949 1.00 0.00 H new ATOM 875 N PHE A 121 -5.977 -2.932 -6.229 1.00 0.00 N ATOM 876 CA PHE A 121 -4.632 -3.416 -5.940 1.00 0.00 C ATOM 877 C PHE A 121 -4.681 -4.735 -5.176 1.00 0.00 C ATOM 878 O PHE A 121 -3.762 -5.551 -5.264 1.00 0.00 O ATOM 879 CB PHE A 121 -3.855 -2.374 -5.132 1.00 0.00 C ATOM 880 CG PHE A 121 -3.738 -1.045 -5.823 1.00 0.00 C ATOM 881 CD1 PHE A 121 -4.131 -0.899 -7.144 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.235 0.057 -5.152 1.00 0.00 C ATOM 883 CE1 PHE A 121 -4.023 0.322 -7.781 1.00 0.00 C ATOM 884 CE2 PHE A 121 -3.125 1.281 -5.784 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.521 1.414 -7.101 1.00 0.00 C ATOM 0 H PHE A 121 -6.198 -2.027 -5.814 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.122 -3.585 -6.888 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.346 -2.232 -4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.855 -2.757 -4.926 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.526 -1.749 -7.681 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -2.925 -0.041 -4.122 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.331 0.423 -8.811 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -2.730 2.132 -5.249 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.438 2.370 -7.597 1.00 0.00 H new ATOM 895 N HIS A 122 -5.759 -4.938 -4.425 1.00 0.00 N ATOM 896 CA HIS A 122 -5.929 -6.159 -3.645 1.00 0.00 C ATOM 897 C HIS A 122 -6.191 -7.354 -4.556 1.00 0.00 C ATOM 898 O HIS A 122 -6.559 -7.190 -5.719 1.00 0.00 O ATOM 899 CB HIS A 122 -7.080 -5.998 -2.651 1.00 0.00 C ATOM 900 CG HIS A 122 -7.444 -7.268 -1.946 1.00 0.00 C ATOM 901 ND1 HIS A 122 -6.563 -7.962 -1.143 1.00 0.00 N ATOM 902 CD2 HIS A 122 -8.602 -7.968 -1.924 1.00 0.00 C ATOM 903 CE1 HIS A 122 -7.164 -9.035 -0.660 1.00 0.00 C ATOM 904 NE2 HIS A 122 -8.402 -9.062 -1.119 1.00 0.00 N ATOM 0 H HIS A 122 -6.528 -4.273 -4.340 1.00 0.00 H new ATOM 0 HA HIS A 122 -5.006 -6.340 -3.094 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.807 -5.246 -1.910 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.956 -5.622 -3.180 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.514 -7.713 -2.443 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -6.718 -9.766 -0.002 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -9.097 -9.779 -0.910 1.00 0.00 H new ATOM 913 N GLN A 123 -5.999 -8.554 -4.019 1.00 0.00 N ATOM 914 CA GLN A 123 -6.213 -9.776 -4.785 1.00 0.00 C ATOM 915 C GLN A 123 -5.643 -9.644 -6.193 1.00 0.00 C ATOM 916 O GLN A 123 -6.136 -10.265 -7.134 1.00 0.00 O ATOM 917 CB GLN A 123 -7.706 -10.104 -4.855 1.00 0.00 C ATOM 918 CG GLN A 123 -8.545 -8.991 -5.462 1.00 0.00 C ATOM 919 CD GLN A 123 -10.002 -9.378 -5.618 1.00 0.00 C ATOM 920 OE1 GLN A 123 -10.389 -10.513 -5.337 1.00 0.00 O ATOM 921 NE2 GLN A 123 -10.820 -8.435 -6.070 1.00 0.00 N ATOM 0 H GLN A 123 -5.696 -8.706 -3.057 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.693 -10.588 -4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.843 -11.012 -5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.071 -10.316 -3.850 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.474 -8.103 -4.833 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.137 -8.724 -6.437 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.457 -7.508 -6.291 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.812 -8.638 -6.197 1.00 0.00 H new ATOM 930 N SER A 124 -4.601 -8.829 -6.330 1.00 0.00 N ATOM 931 CA SER A 124 -3.966 -8.611 -7.624 1.00 0.00 C ATOM 932 C SER A 124 -2.698 -9.449 -7.755 1.00 0.00 C ATOM 933 O SER A 124 -2.293 -10.133 -6.815 1.00 0.00 O ATOM 934 CB SER A 124 -3.634 -7.129 -7.810 1.00 0.00 C ATOM 935 OG SER A 124 -2.509 -6.758 -7.033 1.00 0.00 O ATOM 0 H SER A 124 -4.179 -8.309 -5.560 1.00 0.00 H new ATOM 0 HA SER A 124 -4.666 -8.919 -8.401 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.436 -6.927 -8.863 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.493 -6.522 -7.525 1.00 0.00 H new ATOM 0 HG SER A 124 -2.788 -6.603 -6.106 1.00 0.00 H new ATOM 941 N ARG A 125 -2.075 -9.390 -8.928 1.00 0.00 N ATOM 942 CA ARG A 125 -0.854 -10.143 -9.183 1.00 0.00 C ATOM 943 C ARG A 125 0.116 -9.333 -10.038 1.00 0.00 C ATOM 944 O ARG A 125 -0.297 -8.491 -10.837 1.00 0.00 O ATOM 945 CB ARG A 125 -1.181 -11.466 -9.879 1.00 0.00 C ATOM 946 CG ARG A 125 -2.007 -12.415 -9.027 1.00 0.00 C ATOM 947 CD ARG A 125 -2.160 -13.773 -9.693 1.00 0.00 C ATOM 948 NE ARG A 125 -3.129 -13.741 -10.785 1.00 0.00 N ATOM 949 CZ ARG A 125 -2.828 -13.366 -12.024 1.00 0.00 C ATOM 950 NH1 ARG A 125 -1.592 -12.993 -12.325 1.00 0.00 N ATOM 951 NH2 ARG A 125 -3.765 -13.364 -12.963 1.00 0.00 N ATOM 0 H ARG A 125 -2.396 -8.828 -9.716 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.379 -10.352 -8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.721 -11.257 -10.802 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.250 -11.959 -10.159 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.533 -12.538 -8.053 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.992 -11.983 -8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.193 -14.100 -10.076 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.474 -14.507 -8.951 1.00 0.00 H new ATOM 0 HE ARG A 125 -4.089 -14.022 -10.586 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -0.870 -12.993 -11.605 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -1.363 -12.706 -13.277 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.717 -13.650 -12.734 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.534 -13.076 -13.914 1.00 0.00 H new ATOM 965 N LEU A 126 1.408 -9.592 -9.864 1.00 0.00 N ATOM 966 CA LEU A 126 2.437 -8.886 -10.619 1.00 0.00 C ATOM 967 C LEU A 126 3.628 -9.798 -10.900 1.00 0.00 C ATOM 968 O LEU A 126 4.189 -10.401 -9.985 1.00 0.00 O ATOM 969 CB LEU A 126 2.900 -7.646 -9.852 1.00 0.00 C ATOM 970 CG LEU A 126 4.212 -7.016 -10.323 1.00 0.00 C ATOM 971 CD1 LEU A 126 4.019 -6.319 -11.661 1.00 0.00 C ATOM 972 CD2 LEU A 126 4.738 -6.040 -9.281 1.00 0.00 C ATOM 0 H LEU A 126 1.767 -10.285 -9.207 1.00 0.00 H new ATOM 0 HA LEU A 126 2.006 -8.577 -11.571 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.116 -6.892 -9.913 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.005 -7.912 -8.800 1.00 0.00 H new ATOM 0 HG LEU A 126 4.948 -7.809 -10.453 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.963 -5.877 -11.980 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.688 -7.044 -12.405 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.268 -5.536 -11.558 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.672 -5.601 -9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.004 -5.250 -9.119 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.915 -6.568 -8.344 1.00 0.00 H new ATOM 984 N ARG A 127 4.008 -9.891 -12.170 1.00 0.00 N ATOM 985 CA ARG A 127 5.132 -10.728 -12.571 1.00 0.00 C ATOM 986 C ARG A 127 4.954 -12.157 -12.064 1.00 0.00 C ATOM 987 O ARG A 127 5.908 -12.786 -11.607 1.00 0.00 O ATOM 988 CB ARG A 127 6.444 -10.147 -12.039 1.00 0.00 C ATOM 989 CG ARG A 127 7.012 -9.034 -12.904 1.00 0.00 C ATOM 990 CD ARG A 127 8.385 -8.598 -12.420 1.00 0.00 C ATOM 991 NE ARG A 127 9.431 -9.536 -12.819 1.00 0.00 N ATOM 992 CZ ARG A 127 9.866 -9.663 -14.068 1.00 0.00 C ATOM 993 NH1 ARG A 127 9.349 -8.915 -15.033 1.00 0.00 N ATOM 994 NH2 ARG A 127 10.820 -10.539 -14.353 1.00 0.00 N ATOM 0 H ARG A 127 3.554 -9.397 -12.939 1.00 0.00 H new ATOM 0 HA ARG A 127 5.167 -10.748 -13.660 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.280 -9.765 -11.031 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.180 -10.947 -11.961 1.00 0.00 H new ATOM 0 HG2 ARG A 127 7.080 -9.374 -13.937 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.333 -8.181 -12.893 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.613 -7.610 -12.820 1.00 0.00 H new ATOM 0 HD3 ARG A 127 8.374 -8.508 -11.334 1.00 0.00 H new ATOM 0 HE ARG A 127 9.850 -10.125 -12.100 1.00 0.00 H new ATOM 0 HH11 ARG A 127 8.615 -8.240 -14.817 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.685 -9.015 -15.991 1.00 0.00 H new ATOM 0 HH21 ARG A 127 11.220 -11.116 -13.613 1.00 0.00 H new ATOM 0 HH22 ARG A 127 11.153 -10.636 -15.312 1.00 0.00 H new ATOM 1008 N GLU A 128 3.727 -12.661 -12.149 1.00 0.00 N ATOM 1009 CA GLU A 128 3.425 -14.014 -11.698 1.00 0.00 C ATOM 1010 C GLU A 128 3.680 -14.158 -10.200 1.00 0.00 C ATOM 1011 O GLU A 128 4.402 -15.055 -9.766 1.00 0.00 O ATOM 1012 CB GLU A 128 4.267 -15.033 -12.469 1.00 0.00 C ATOM 1013 CG GLU A 128 3.903 -15.133 -13.941 1.00 0.00 C ATOM 1014 CD GLU A 128 5.051 -15.637 -14.793 1.00 0.00 C ATOM 1015 OE1 GLU A 128 5.263 -16.866 -14.839 1.00 0.00 O ATOM 1016 OE2 GLU A 128 5.739 -14.800 -15.415 1.00 0.00 O ATOM 0 H GLU A 128 2.927 -12.153 -12.526 1.00 0.00 H new ATOM 0 HA GLU A 128 2.369 -14.206 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.319 -14.763 -12.381 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.149 -16.013 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.050 -15.801 -14.056 1.00 0.00 H new ATOM 0 HG3 GLU A 128 3.591 -14.153 -14.302 1.00 0.00 H new ATOM 1023 N ARG A 129 3.081 -13.267 -9.416 1.00 0.00 N ATOM 1024 CA ARG A 129 3.244 -13.293 -7.967 1.00 0.00 C ATOM 1025 C ARG A 129 2.017 -12.710 -7.272 1.00 0.00 C ATOM 1026 O ARG A 129 1.395 -11.774 -7.773 1.00 0.00 O ATOM 1027 CB ARG A 129 4.494 -12.512 -7.559 1.00 0.00 C ATOM 1028 CG ARG A 129 4.229 -11.043 -7.276 1.00 0.00 C ATOM 1029 CD ARG A 129 3.797 -10.822 -5.835 1.00 0.00 C ATOM 1030 NE ARG A 129 4.938 -10.741 -4.927 1.00 0.00 N ATOM 1031 CZ ARG A 129 5.415 -11.780 -4.252 1.00 0.00 C ATOM 1032 NH1 ARG A 129 4.853 -12.974 -4.381 1.00 0.00 N ATOM 1033 NH2 ARG A 129 6.457 -11.626 -3.445 1.00 0.00 N ATOM 0 H ARG A 129 2.479 -12.519 -9.760 1.00 0.00 H new ATOM 0 HA ARG A 129 3.356 -14.332 -7.657 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.926 -12.972 -6.670 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.237 -12.592 -8.352 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.130 -10.464 -7.480 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.455 -10.676 -7.949 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.215 -9.903 -5.768 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.143 -11.637 -5.524 1.00 0.00 H new ATOM 0 HE ARG A 129 5.393 -9.837 -4.805 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.052 -13.096 -5.000 1.00 0.00 H new ATOM 0 HH12 ARG A 129 5.222 -13.770 -3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.892 -10.709 -3.343 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.823 -12.425 -2.927 1.00 0.00 H new ATOM 1047 N GLU A 130 1.676 -13.269 -6.115 1.00 0.00 N ATOM 1048 CA GLU A 130 0.524 -12.805 -5.353 1.00 0.00 C ATOM 1049 C GLU A 130 0.871 -11.556 -4.547 1.00 0.00 C ATOM 1050 O GLU A 130 1.814 -11.557 -3.755 1.00 0.00 O ATOM 1051 CB GLU A 130 0.026 -13.907 -4.416 1.00 0.00 C ATOM 1052 CG GLU A 130 -1.394 -13.690 -3.920 1.00 0.00 C ATOM 1053 CD GLU A 130 -2.437 -14.130 -4.928 1.00 0.00 C ATOM 1054 OE1 GLU A 130 -2.138 -14.110 -6.140 1.00 0.00 O ATOM 1055 OE2 GLU A 130 -3.554 -14.495 -4.504 1.00 0.00 O ATOM 0 H GLU A 130 2.182 -14.044 -5.685 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.267 -12.553 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 130 0.078 -14.864 -4.935 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.695 -13.973 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.538 -14.240 -2.990 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.538 -12.634 -3.691 1.00 0.00 H new ATOM 1062 N LEU A 131 0.105 -10.492 -4.757 1.00 0.00 N ATOM 1063 CA LEU A 131 0.331 -9.235 -4.051 1.00 0.00 C ATOM 1064 C LEU A 131 -0.699 -9.040 -2.943 1.00 0.00 C ATOM 1065 O LEU A 131 -1.901 -9.181 -3.167 1.00 0.00 O ATOM 1066 CB LEU A 131 0.273 -8.061 -5.029 1.00 0.00 C ATOM 1067 CG LEU A 131 1.300 -8.079 -6.162 1.00 0.00 C ATOM 1068 CD1 LEU A 131 0.772 -7.328 -7.374 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.619 -7.481 -5.694 1.00 0.00 C ATOM 0 H LEU A 131 -0.678 -10.474 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 131 1.322 -9.274 -3.598 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.724 -8.030 -5.469 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.401 -7.137 -4.465 1.00 0.00 H new ATOM 0 HG LEU A 131 1.475 -9.115 -6.452 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.517 -7.352 -8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.147 -7.800 -7.723 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.567 -6.293 -7.100 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.339 -7.502 -6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.459 -6.450 -5.377 1.00 0.00 H new ATOM 0 HD23 LEU A 131 3.005 -8.062 -4.857 1.00 0.00 H new ATOM 1081 N SER A 132 -0.219 -8.713 -1.747 1.00 0.00 N ATOM 1082 CA SER A 132 -1.098 -8.500 -0.603 1.00 0.00 C ATOM 1083 C SER A 132 -1.264 -7.011 -0.316 1.00 0.00 C ATOM 1084 O SER A 132 -0.284 -6.276 -0.193 1.00 0.00 O ATOM 1085 CB SER A 132 -0.542 -9.209 0.633 1.00 0.00 C ATOM 1086 OG SER A 132 -1.028 -10.538 0.720 1.00 0.00 O ATOM 0 H SER A 132 0.773 -8.590 -1.545 1.00 0.00 H new ATOM 0 HA SER A 132 -2.075 -8.918 -0.844 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.547 -9.219 0.592 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.822 -8.656 1.530 1.00 0.00 H new ATOM 0 HG SER A 132 -0.657 -10.970 1.517 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.515 -6.571 -0.212 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.812 -5.170 0.061 1.00 0.00 C ATOM 1094 C VAL A 133 -3.813 -5.033 1.203 1.00 0.00 C ATOM 1095 O VAL A 133 -4.824 -5.734 1.241 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.372 -4.462 -1.186 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.613 -2.987 -0.900 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.429 -4.637 -2.367 1.00 0.00 C ATOM 0 H VAL A 133 -3.338 -7.165 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.873 -4.697 0.347 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.328 -4.919 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.009 -2.503 -1.793 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -4.330 -2.887 -0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.673 -2.513 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.841 -4.130 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.457 -4.208 -2.123 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.313 -5.699 -2.585 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.525 -4.126 2.130 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.400 -3.897 3.273 1.00 0.00 C ATOM 1110 C GLN A 134 -4.239 -2.478 3.808 1.00 0.00 C ATOM 1111 O GLN A 134 -3.275 -1.785 3.478 1.00 0.00 O ATOM 1112 CB GLN A 134 -4.103 -4.909 4.381 1.00 0.00 C ATOM 1113 CG GLN A 134 -2.671 -4.852 4.888 1.00 0.00 C ATOM 1114 CD GLN A 134 -2.514 -5.472 6.263 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -3.103 -5.004 7.238 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -1.716 -6.530 6.348 1.00 0.00 N ATOM 0 H GLN A 134 -2.692 -3.537 2.112 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.430 -4.025 2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.782 -4.732 5.215 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -4.309 -5.913 4.010 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -2.019 -5.369 4.184 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.343 -3.813 4.922 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -1.248 -6.884 5.514 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -1.571 -6.989 7.248 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.187 -2.051 4.635 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.150 -0.713 5.215 1.00 0.00 C ATOM 1127 C LEU A 135 -4.011 -0.588 6.222 1.00 0.00 C ATOM 1128 O LEU A 135 -3.701 -1.536 6.943 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.483 -0.394 5.894 1.00 0.00 C ATOM 1130 CG LEU A 135 -7.653 -0.080 4.961 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -8.978 -0.265 5.685 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.535 1.336 4.416 1.00 0.00 C ATOM 0 H LEU A 135 -5.990 -2.612 4.919 1.00 0.00 H new ATOM 0 HA LEU A 135 -4.979 0.001 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -6.761 -1.242 6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.335 0.458 6.558 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.620 -0.775 4.122 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.799 -0.037 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.065 -1.297 6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.021 0.406 6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.376 1.542 3.754 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.542 2.046 5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.603 1.435 3.860 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.394 0.588 6.265 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.290 0.838 7.185 1.00 0.00 C ATOM 1146 C GLN A 136 -2.804 1.345 8.528 1.00 0.00 C ATOM 1147 O GLN A 136 -3.723 2.160 8.601 1.00 0.00 O ATOM 1148 CB GLN A 136 -1.316 1.852 6.583 1.00 0.00 C ATOM 1149 CG GLN A 136 -0.615 2.713 7.621 1.00 0.00 C ATOM 1150 CD GLN A 136 0.746 3.194 7.158 1.00 0.00 C ATOM 1151 OE1 GLN A 136 0.930 3.541 5.991 1.00 0.00 O ATOM 1152 NE2 GLN A 136 1.709 3.218 8.072 1.00 0.00 N ATOM 0 H GLN A 136 -3.639 1.382 5.674 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.767 -0.104 7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -0.566 1.320 5.998 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -1.858 2.499 5.893 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -1.240 3.575 7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -0.500 2.143 8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 136 1.512 2.922 9.028 1.00 0.00 H new ATOM 0 HE22 GLN A 136 2.645 3.533 7.818 1.00 0.00 H new