USER MOD reduce.3.24.130724 H: found=0, std=0, add=484, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 487 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 164 LYS NZ :NH3+ -121:sc= 0.0367 (180deg=-0.806) USER MOD Set 1.2: A 168 ASN :FLIP amide:sc= 0.317 F(o=-5.4!,f=0.35) USER MOD Set 2.1: A 139 HIS :FLIP no HD1:sc= 0.1 F(o=-3.5,f=-1.4) USER MOD Set 2.2: A 141 ASN :FLIP amide:sc= -1.48 F(o=-3.1!,f=-1.4) USER MOD Single : A 136 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD Single : A 142 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 145 GLN : amide:sc= -8.63! C(o=-8.6!,f=-8.9!) USER MOD Single : A 147 ASN : amide:sc= 0.407 K(o=0.41,f=-0.74) USER MOD Single : A 149 TYR OH : rot -95:sc= 0.0295 USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 151 HIS : no HD1:sc= -8.67! C(o=-8.7!,f=-8.7!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 159 GLN : amide:sc= -0.0916 X(o=-0.092,f=-0.067) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 162 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 165 SER OG : rot 180:sc= -0.439! USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ 159:sc= -1.78! (180deg=-2.53!) USER MOD Single : A 171 MET CE :methyl 162:sc= -0.914 (180deg=-1.58!) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 186 MET CE :methyl -174:sc=-0.00564 (180deg=-0.0704) USER MOD Single : A 188 THR OG1 : rot 180:sc= -0.593 USER MOD Single : A 197 ASN : amide:sc= -0.0828 K(o=-0.083,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 133 20.784 -1.335 3.831 1.00 0.00 N ATOM 2 CA GLU A 133 19.563 -0.799 3.166 1.00 0.00 C ATOM 3 C GLU A 133 18.700 -1.959 2.679 1.00 0.00 C ATOM 4 O GLU A 133 19.215 -3.001 2.273 1.00 0.00 O ATOM 5 CB GLU A 133 19.975 0.077 1.980 1.00 0.00 C ATOM 6 CG GLU A 133 20.810 1.257 2.483 1.00 0.00 C ATOM 7 CD GLU A 133 21.235 2.132 1.309 1.00 0.00 C ATOM 8 OE1 GLU A 133 21.571 1.579 0.274 1.00 0.00 O ATOM 9 OE2 GLU A 133 21.218 3.343 1.461 1.00 0.00 O ATOM 0 HA GLU A 133 18.991 -0.200 3.874 1.00 0.00 H new ATOM 0 HB2 GLU A 133 20.550 -0.510 1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 133 19.090 0.440 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 133 20.231 1.845 3.195 1.00 0.00 H new ATOM 0 HG3 GLU A 133 21.690 0.891 3.012 1.00 0.00 H new ATOM 18 N ALA A 134 17.385 -1.771 2.724 1.00 0.00 N ATOM 19 CA ALA A 134 16.459 -2.808 2.287 1.00 0.00 C ATOM 20 C ALA A 134 15.036 -2.263 2.228 1.00 0.00 C ATOM 21 O ALA A 134 14.737 -1.218 2.806 1.00 0.00 O ATOM 22 CB ALA A 134 16.514 -3.998 3.247 1.00 0.00 C ATOM 0 H ALA A 134 16.939 -0.916 3.056 1.00 0.00 H new ATOM 0 HA ALA A 134 16.753 -3.135 1.290 1.00 0.00 H new ATOM 0 HB1 ALA A 134 15.819 -4.768 2.912 1.00 0.00 H new ATOM 0 HB2 ALA A 134 17.525 -4.405 3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 134 16.237 -3.670 4.249 1.00 0.00 H new ATOM 28 N CYS A 135 14.161 -2.975 1.526 1.00 0.00 N ATOM 29 CA CYS A 135 12.772 -2.551 1.399 1.00 0.00 C ATOM 30 C CYS A 135 12.087 -2.556 2.763 1.00 0.00 C ATOM 31 O CYS A 135 12.480 -3.297 3.663 1.00 0.00 O ATOM 32 CB CYS A 135 12.029 -3.476 0.431 1.00 0.00 C ATOM 33 SG CYS A 135 12.636 -3.183 -1.253 1.00 0.00 S ATOM 0 H CYS A 135 14.387 -3.842 1.039 1.00 0.00 H new ATOM 0 HA CYS A 135 12.751 -1.535 1.005 1.00 0.00 H new ATOM 0 HB2 CYS A 135 12.186 -4.518 0.711 1.00 0.00 H new ATOM 0 HB3 CYS A 135 10.956 -3.290 0.482 1.00 0.00 H new ATOM 38 N GLN A 136 11.061 -1.715 2.909 1.00 0.00 N ATOM 39 CA GLN A 136 10.320 -1.612 4.170 1.00 0.00 C ATOM 40 C GLN A 136 8.849 -1.925 3.942 1.00 0.00 C ATOM 41 O GLN A 136 8.344 -1.792 2.828 1.00 0.00 O ATOM 42 CB GLN A 136 10.458 -0.199 4.739 1.00 0.00 C ATOM 43 CG GLN A 136 11.900 0.031 5.195 1.00 0.00 C ATOM 44 CD GLN A 136 12.063 1.454 5.715 1.00 0.00 C ATOM 45 OE1 GLN A 136 11.455 1.821 6.721 1.00 0.00 O ATOM 46 NE2 GLN A 136 12.853 2.282 5.089 1.00 0.00 N ATOM 0 H GLN A 136 10.724 -1.096 2.172 1.00 0.00 H new ATOM 0 HA GLN A 136 10.732 -2.331 4.878 1.00 0.00 H new ATOM 0 HB2 GLN A 136 10.183 0.537 3.983 1.00 0.00 H new ATOM 0 HB3 GLN A 136 9.775 -0.065 5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 136 12.161 -0.682 5.977 1.00 0.00 H new ATOM 0 HG3 GLN A 136 12.584 -0.142 4.364 1.00 0.00 H new ATOM 0 HE21 GLN A 136 13.356 1.976 4.256 1.00 0.00 H new ATOM 0 HE22 GLN A 136 12.968 3.235 5.433 1.00 0.00 H new ATOM 55 N PHE A 137 8.161 -2.350 5.002 1.00 0.00 N ATOM 56 CA PHE A 137 6.740 -2.689 4.910 1.00 0.00 C ATOM 57 C PHE A 137 5.889 -1.674 5.674 1.00 0.00 C ATOM 58 O PHE A 137 6.238 -1.261 6.780 1.00 0.00 O ATOM 59 CB PHE A 137 6.512 -4.098 5.478 1.00 0.00 C ATOM 60 CG PHE A 137 5.026 -4.379 5.606 1.00 0.00 C ATOM 61 CD1 PHE A 137 4.195 -4.275 4.483 1.00 0.00 C ATOM 62 CD2 PHE A 137 4.482 -4.738 6.847 1.00 0.00 C ATOM 63 CE1 PHE A 137 2.826 -4.531 4.600 1.00 0.00 C ATOM 64 CE2 PHE A 137 3.111 -4.995 6.963 1.00 0.00 C ATOM 65 CZ PHE A 137 2.283 -4.891 5.839 1.00 0.00 C ATOM 0 H PHE A 137 8.563 -2.468 5.932 1.00 0.00 H new ATOM 0 HA PHE A 137 6.441 -2.664 3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 137 6.975 -4.840 4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 137 6.991 -4.187 6.453 1.00 0.00 H new ATOM 0 HD1 PHE A 137 4.612 -3.997 3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 137 5.121 -4.816 7.714 1.00 0.00 H new ATOM 0 HE1 PHE A 137 2.186 -4.451 3.734 1.00 0.00 H new ATOM 0 HE2 PHE A 137 2.692 -5.273 7.919 1.00 0.00 H new ATOM 0 HZ PHE A 137 1.225 -5.089 5.928 1.00 0.00 H new ATOM 75 N SER A 138 4.769 -1.279 5.070 1.00 0.00 N ATOM 76 CA SER A 138 3.860 -0.314 5.686 1.00 0.00 C ATOM 77 C SER A 138 2.420 -0.598 5.264 1.00 0.00 C ATOM 78 O SER A 138 2.146 -0.859 4.093 1.00 0.00 O ATOM 79 CB SER A 138 4.248 1.103 5.268 1.00 0.00 C ATOM 80 OG SER A 138 3.639 2.037 6.150 1.00 0.00 O ATOM 0 H SER A 138 4.469 -1.613 4.154 1.00 0.00 H new ATOM 0 HA SER A 138 3.935 -0.405 6.770 1.00 0.00 H new ATOM 0 HB2 SER A 138 5.332 1.217 5.291 1.00 0.00 H new ATOM 0 HB3 SER A 138 3.929 1.292 4.243 1.00 0.00 H new ATOM 0 HG SER A 138 3.888 2.947 5.885 1.00 0.00 H new ATOM 86 N HIS A 139 1.500 -0.550 6.230 1.00 0.00 N ATOM 87 CA HIS A 139 0.080 -0.808 5.960 1.00 0.00 C ATOM 88 C HIS A 139 -0.801 0.259 6.604 1.00 0.00 C ATOM 89 O HIS A 139 -0.377 0.963 7.520 1.00 0.00 O ATOM 90 CB HIS A 139 -0.317 -2.185 6.494 1.00 0.00 C ATOM 91 CG HIS A 139 -0.239 -2.186 7.996 1.00 0.00 C ATOM 92 ND1 HIS A 139 -1.149 -1.825 8.957 1.00 0.00 N flip ATOM 93 CD2 HIS A 139 0.894 -2.597 8.679 1.00 0.00 C flip ATOM 94 CE1 HIS A 139 -0.594 -2.007 10.220 1.00 0.00 C flip ATOM 95 NE2 HIS A 139 0.638 -2.474 9.995 1.00 0.00 N flip ATOM 0 H HIS A 139 1.710 -0.336 7.205 1.00 0.00 H new ATOM 0 HA HIS A 139 -0.067 -0.779 4.880 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -1.328 -2.433 6.172 1.00 0.00 H new ATOM 0 HB3 HIS A 139 0.344 -2.949 6.085 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.814 -2.951 8.237 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -1.058 -1.813 11.176 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.304 -2.709 10.731 1.00 0.00 H new ATOM 104 N VAL A 140 -2.034 0.369 6.111 1.00 0.00 N ATOM 105 CA VAL A 140 -2.993 1.350 6.627 1.00 0.00 C ATOM 106 C VAL A 140 -4.363 0.694 6.801 1.00 0.00 C ATOM 107 O VAL A 140 -4.996 0.298 5.823 1.00 0.00 O ATOM 108 CB VAL A 140 -3.089 2.527 5.643 1.00 0.00 C ATOM 109 CG1 VAL A 140 -4.276 3.428 6.001 1.00 0.00 C ATOM 110 CG2 VAL A 140 -1.800 3.348 5.712 1.00 0.00 C ATOM 0 H VAL A 140 -2.395 -0.210 5.353 1.00 0.00 H new ATOM 0 HA VAL A 140 -2.657 1.717 7.597 1.00 0.00 H new ATOM 0 HB VAL A 140 -3.232 2.134 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 140 -4.330 4.257 5.295 1.00 0.00 H new ATOM 0 HG12 VAL A 140 -5.199 2.850 5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 140 -4.145 3.819 7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 140 -1.863 4.184 5.016 1.00 0.00 H new ATOM 0 HG22 VAL A 140 -1.665 3.728 6.724 1.00 0.00 H new ATOM 0 HG23 VAL A 140 -0.952 2.717 5.445 1.00 0.00 H new ATOM 120 N ASN A 141 -4.820 0.573 8.051 1.00 0.00 N ATOM 121 CA ASN A 141 -6.117 -0.050 8.327 1.00 0.00 C ATOM 122 C ASN A 141 -6.778 0.556 9.570 1.00 0.00 C ATOM 123 O ASN A 141 -6.190 0.569 10.652 1.00 0.00 O ATOM 124 CB ASN A 141 -5.929 -1.559 8.535 1.00 0.00 C ATOM 125 CG ASN A 141 -5.270 -1.838 9.883 1.00 0.00 C ATOM 126 OD1 ASN A 141 -5.993 -1.818 10.968 1.00 0.00 O flip ATOM 127 ND2 ASN A 141 -4.066 -2.083 9.948 1.00 0.00 N flip ATOM 0 H ASN A 141 -4.318 0.894 8.879 1.00 0.00 H new ATOM 0 HA ASN A 141 -6.767 0.133 7.472 1.00 0.00 H new ATOM 0 HB2 ASN A 141 -6.895 -2.061 8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 141 -5.315 -1.968 7.733 1.00 0.00 H new ATOM 0 HD21 ASN A 141 -3.502 -2.098 9.098 1.00 0.00 H new ATOM 0 HD22 ASN A 141 -3.632 -2.271 10.852 1.00 0.00 H new ATOM 134 N SER A 142 -8.015 1.036 9.411 1.00 0.00 N ATOM 135 CA SER A 142 -8.766 1.615 10.531 1.00 0.00 C ATOM 136 C SER A 142 -10.226 1.177 10.463 1.00 0.00 C ATOM 137 O SER A 142 -10.619 0.431 9.565 1.00 0.00 O ATOM 138 CB SER A 142 -8.677 3.146 10.516 1.00 0.00 C ATOM 139 OG SER A 142 -8.939 3.639 11.823 1.00 0.00 O ATOM 0 H SER A 142 -8.516 1.036 8.523 1.00 0.00 H new ATOM 0 HA SER A 142 -8.326 1.255 11.461 1.00 0.00 H new ATOM 0 HB2 SER A 142 -7.687 3.462 10.186 1.00 0.00 H new ATOM 0 HB3 SER A 142 -9.396 3.558 9.808 1.00 0.00 H new ATOM 0 HG SER A 142 -8.882 4.617 11.821 1.00 0.00 H new ATOM 145 N ARG A 143 -11.025 1.636 11.419 1.00 0.00 N ATOM 146 CA ARG A 143 -12.438 1.276 11.462 1.00 0.00 C ATOM 147 C ARG A 143 -13.232 2.001 10.374 1.00 0.00 C ATOM 148 O ARG A 143 -14.151 1.431 9.785 1.00 0.00 O ATOM 149 CB ARG A 143 -13.020 1.623 12.834 1.00 0.00 C ATOM 150 CG ARG A 143 -12.036 1.204 13.929 1.00 0.00 C ATOM 151 CD ARG A 143 -11.689 -0.279 13.773 1.00 0.00 C ATOM 152 NE ARG A 143 -11.096 -0.789 15.004 1.00 0.00 N ATOM 153 CZ ARG A 143 -11.830 -0.969 16.097 1.00 0.00 C ATOM 154 NH1 ARG A 143 -13.104 -0.686 16.082 1.00 0.00 N ATOM 155 NH2 ARG A 143 -11.276 -1.428 17.186 1.00 0.00 N ATOM 0 H ARG A 143 -10.721 2.255 12.171 1.00 0.00 H new ATOM 0 HA ARG A 143 -12.516 0.203 11.286 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -13.216 2.693 12.897 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -13.974 1.115 12.975 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -11.130 1.807 13.867 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -12.473 1.384 14.911 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -12.587 -0.847 13.531 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -10.994 -0.412 12.944 1.00 0.00 H new ATOM 0 HE ARG A 143 -10.101 -1.011 15.026 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -13.537 -0.327 15.231 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -13.667 -0.824 16.921 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -10.280 -1.648 17.198 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -11.839 -1.566 18.025 1.00 0.00 H new ATOM 169 N ASP A 144 -12.889 3.263 10.124 1.00 0.00 N ATOM 170 CA ASP A 144 -13.593 4.063 9.116 1.00 0.00 C ATOM 171 C ASP A 144 -12.899 3.997 7.757 1.00 0.00 C ATOM 172 O ASP A 144 -13.526 4.223 6.722 1.00 0.00 O ATOM 173 CB ASP A 144 -13.663 5.520 9.575 1.00 0.00 C ATOM 174 CG ASP A 144 -14.521 6.330 8.610 1.00 0.00 C ATOM 175 OD1 ASP A 144 -15.530 5.808 8.163 1.00 0.00 O ATOM 176 OD2 ASP A 144 -14.158 7.461 8.330 1.00 0.00 O ATOM 0 H ASP A 144 -12.133 3.754 10.601 1.00 0.00 H new ATOM 0 HA ASP A 144 -14.596 3.652 9.006 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -14.082 5.574 10.580 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -12.660 5.943 9.625 1.00 0.00 H new ATOM 181 N GLN A 145 -11.606 3.698 7.763 1.00 0.00 N ATOM 182 CA GLN A 145 -10.844 3.620 6.520 1.00 0.00 C ATOM 183 C GLN A 145 -11.440 2.567 5.580 1.00 0.00 C ATOM 184 O GLN A 145 -10.900 1.472 5.443 1.00 0.00 O ATOM 185 CB GLN A 145 -9.378 3.278 6.842 1.00 0.00 C ATOM 186 CG GLN A 145 -8.585 4.562 7.136 1.00 0.00 C ATOM 187 CD GLN A 145 -7.110 4.236 7.324 1.00 0.00 C ATOM 188 OE1 GLN A 145 -6.243 4.951 6.823 1.00 0.00 O ATOM 189 NE2 GLN A 145 -6.772 3.191 8.024 1.00 0.00 N ATOM 0 H GLN A 145 -11.065 3.507 8.606 1.00 0.00 H new ATOM 0 HA GLN A 145 -10.891 4.585 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 145 -9.333 2.610 7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 145 -8.928 2.748 6.003 1.00 0.00 H new ATOM 0 HG2 GLN A 145 -8.707 5.270 6.316 1.00 0.00 H new ATOM 0 HG3 GLN A 145 -8.976 5.043 8.033 1.00 0.00 H new ATOM 0 HE21 GLN A 145 -7.493 2.600 8.438 1.00 0.00 H new ATOM 0 HE22 GLN A 145 -5.787 2.964 8.158 1.00 0.00 H new ATOM 198 N CYS A 146 -12.552 2.920 4.928 1.00 0.00 N ATOM 199 CA CYS A 146 -13.238 2.020 3.990 1.00 0.00 C ATOM 200 C CYS A 146 -13.262 2.643 2.588 1.00 0.00 C ATOM 201 O CYS A 146 -14.042 3.557 2.321 1.00 0.00 O ATOM 202 CB CYS A 146 -14.668 1.781 4.498 1.00 0.00 C ATOM 203 SG CYS A 146 -15.538 0.608 3.428 1.00 0.00 S ATOM 0 H CYS A 146 -13.001 3.830 5.033 1.00 0.00 H new ATOM 0 HA CYS A 146 -12.709 1.069 3.929 1.00 0.00 H new ATOM 0 HB2 CYS A 146 -14.638 1.398 5.518 1.00 0.00 H new ATOM 0 HB3 CYS A 146 -15.211 2.725 4.528 1.00 0.00 H new ATOM 208 N ASN A 147 -12.385 2.151 1.699 1.00 0.00 N ATOM 209 CA ASN A 147 -12.288 2.677 0.326 1.00 0.00 C ATOM 210 C ASN A 147 -12.210 1.545 -0.706 1.00 0.00 C ATOM 211 O ASN A 147 -11.978 0.387 -0.356 1.00 0.00 O ATOM 212 CB ASN A 147 -11.044 3.560 0.198 1.00 0.00 C ATOM 213 CG ASN A 147 -10.920 4.467 1.418 1.00 0.00 C ATOM 214 OD1 ASN A 147 -11.362 5.615 1.387 1.00 0.00 O ATOM 215 ND2 ASN A 147 -10.344 4.015 2.498 1.00 0.00 N ATOM 0 H ASN A 147 -11.735 1.393 1.904 1.00 0.00 H new ATOM 0 HA ASN A 147 -13.187 3.261 0.128 1.00 0.00 H new ATOM 0 HB2 ASN A 147 -10.154 2.937 0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 147 -11.107 4.162 -0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 147 -10.259 4.614 3.319 1.00 0.00 H new ATOM 0 HD22 ASN A 147 -9.979 3.063 2.521 1.00 0.00 H new ATOM 222 N ASP A 148 -12.412 1.894 -1.980 1.00 0.00 N ATOM 223 CA ASP A 148 -12.372 0.908 -3.067 1.00 0.00 C ATOM 224 C ASP A 148 -10.943 0.497 -3.408 1.00 0.00 C ATOM 225 O ASP A 148 -9.984 1.204 -3.101 1.00 0.00 O ATOM 226 CB ASP A 148 -13.061 1.472 -4.313 1.00 0.00 C ATOM 227 CG ASP A 148 -12.573 2.888 -4.594 1.00 0.00 C ATOM 228 OD1 ASP A 148 -13.182 3.813 -4.082 1.00 0.00 O ATOM 229 OD2 ASP A 148 -11.602 3.025 -5.318 1.00 0.00 O ATOM 0 H ASP A 148 -12.604 2.848 -2.285 1.00 0.00 H new ATOM 0 HA ASP A 148 -12.902 0.019 -2.725 1.00 0.00 H new ATOM 0 HB2 ASP A 148 -12.855 0.832 -5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 148 -14.141 1.475 -4.169 1.00 0.00 H new ATOM 234 N TYR A 149 -10.821 -0.666 -4.046 1.00 0.00 N ATOM 235 CA TYR A 149 -9.519 -1.198 -4.437 1.00 0.00 C ATOM 236 C TYR A 149 -8.668 -0.122 -5.105 1.00 0.00 C ATOM 237 O TYR A 149 -7.572 0.192 -4.642 1.00 0.00 O ATOM 238 CB TYR A 149 -9.719 -2.364 -5.411 1.00 0.00 C ATOM 239 CG TYR A 149 -8.396 -3.026 -5.716 1.00 0.00 C ATOM 240 CD1 TYR A 149 -7.921 -4.062 -4.898 1.00 0.00 C ATOM 241 CD2 TYR A 149 -7.647 -2.611 -6.824 1.00 0.00 C ATOM 242 CE1 TYR A 149 -6.699 -4.681 -5.191 1.00 0.00 C ATOM 243 CE2 TYR A 149 -6.425 -3.227 -7.115 1.00 0.00 C ATOM 244 CZ TYR A 149 -5.952 -4.263 -6.299 1.00 0.00 C ATOM 245 OH TYR A 149 -4.748 -4.873 -6.588 1.00 0.00 O ATOM 0 H TYR A 149 -11.611 -1.258 -4.303 1.00 0.00 H new ATOM 0 HA TYR A 149 -9.002 -1.541 -3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 149 -10.407 -3.092 -4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 149 -10.173 -2.002 -6.333 1.00 0.00 H new ATOM 0 HD1 TYR A 149 -8.497 -4.382 -4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 149 -8.013 -1.814 -7.455 1.00 0.00 H new ATOM 0 HE1 TYR A 149 -6.333 -5.480 -4.563 1.00 0.00 H new ATOM 0 HE2 TYR A 149 -5.847 -2.904 -7.968 1.00 0.00 H new ATOM 0 HH TYR A 149 -4.016 -4.355 -6.194 1.00 0.00 H new ATOM 255 N GLN A 150 -9.178 0.434 -6.198 1.00 0.00 N ATOM 256 CA GLN A 150 -8.457 1.469 -6.930 1.00 0.00 C ATOM 257 C GLN A 150 -8.079 2.621 -6.004 1.00 0.00 C ATOM 258 O GLN A 150 -6.930 3.062 -5.987 1.00 0.00 O ATOM 259 CB GLN A 150 -9.319 1.997 -8.078 1.00 0.00 C ATOM 260 CG GLN A 150 -8.580 3.130 -8.800 1.00 0.00 C ATOM 261 CD GLN A 150 -9.147 3.316 -10.200 1.00 0.00 C ATOM 262 OE1 GLN A 150 -9.979 4.195 -10.428 1.00 0.00 O ATOM 263 NE2 GLN A 150 -8.740 2.533 -11.157 1.00 0.00 N ATOM 0 H GLN A 150 -10.084 0.187 -6.596 1.00 0.00 H new ATOM 0 HA GLN A 150 -7.545 1.029 -7.333 1.00 0.00 H new ATOM 0 HB2 GLN A 150 -9.543 1.192 -8.778 1.00 0.00 H new ATOM 0 HB3 GLN A 150 -10.272 2.359 -7.693 1.00 0.00 H new ATOM 0 HG2 GLN A 150 -8.677 4.056 -8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 150 -7.516 2.902 -8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 150 -8.051 1.807 -10.963 1.00 0.00 H new ATOM 0 HE22 GLN A 150 -9.110 2.646 -12.101 1.00 0.00 H new ATOM 272 N HIS A 151 -9.049 3.103 -5.237 1.00 0.00 N ATOM 273 CA HIS A 151 -8.795 4.205 -4.314 1.00 0.00 C ATOM 274 C HIS A 151 -7.587 3.890 -3.442 1.00 0.00 C ATOM 275 O HIS A 151 -6.694 4.721 -3.283 1.00 0.00 O ATOM 276 CB HIS A 151 -10.029 4.449 -3.428 1.00 0.00 C ATOM 277 CG HIS A 151 -11.032 5.300 -4.161 1.00 0.00 C ATOM 278 ND1 HIS A 151 -12.071 5.947 -3.509 1.00 0.00 N ATOM 279 CD2 HIS A 151 -11.168 5.620 -5.490 1.00 0.00 C ATOM 280 CE1 HIS A 151 -12.779 6.615 -4.437 1.00 0.00 C ATOM 281 NE2 HIS A 151 -12.271 6.451 -5.661 1.00 0.00 N ATOM 0 H HIS A 151 -10.008 2.754 -5.234 1.00 0.00 H new ATOM 0 HA HIS A 151 -8.590 5.106 -4.893 1.00 0.00 H new ATOM 0 HB2 HIS A 151 -10.482 3.497 -3.151 1.00 0.00 H new ATOM 0 HB3 HIS A 151 -9.730 4.941 -2.502 1.00 0.00 H new ATOM 0 HD2 HIS A 151 -10.518 5.279 -6.282 1.00 0.00 H new ATOM 0 HE1 HIS A 151 -13.652 7.212 -4.219 1.00 0.00 H new ATOM 0 HE2 HIS A 151 -12.617 6.849 -6.534 1.00 0.00 H new ATOM 290 N TRP A 152 -7.566 2.692 -2.868 1.00 0.00 N ATOM 291 CA TRP A 152 -6.458 2.305 -2.008 1.00 0.00 C ATOM 292 C TRP A 152 -5.141 2.342 -2.784 1.00 0.00 C ATOM 293 O TRP A 152 -4.144 2.875 -2.304 1.00 0.00 O ATOM 294 CB TRP A 152 -6.685 0.892 -1.428 1.00 0.00 C ATOM 295 CG TRP A 152 -7.471 0.949 -0.151 1.00 0.00 C ATOM 296 CD1 TRP A 152 -8.574 0.205 0.102 1.00 0.00 C ATOM 297 CD2 TRP A 152 -7.234 1.750 1.054 1.00 0.00 C ATOM 298 NE1 TRP A 152 -9.037 0.500 1.369 1.00 0.00 N ATOM 299 CE2 TRP A 152 -8.250 1.449 1.993 1.00 0.00 C ATOM 300 CE3 TRP A 152 -6.256 2.704 1.425 1.00 0.00 C ATOM 301 CZ2 TRP A 152 -8.297 2.064 3.240 1.00 0.00 C ATOM 302 CZ3 TRP A 152 -6.303 3.319 2.680 1.00 0.00 C ATOM 303 CH2 TRP A 152 -7.321 3.006 3.586 1.00 0.00 C ATOM 0 H TRP A 152 -8.291 1.984 -2.981 1.00 0.00 H new ATOM 0 HA TRP A 152 -6.404 3.017 -1.184 1.00 0.00 H new ATOM 0 HB2 TRP A 152 -7.214 0.278 -2.157 1.00 0.00 H new ATOM 0 HB3 TRP A 152 -5.723 0.412 -1.245 1.00 0.00 H new ATOM 0 HD1 TRP A 152 -9.020 -0.505 -0.578 1.00 0.00 H new ATOM 0 HE1 TRP A 152 -9.859 0.070 1.792 1.00 0.00 H new ATOM 0 HE3 TRP A 152 -5.467 2.959 0.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 152 -9.083 1.816 3.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 152 -5.547 4.041 2.952 1.00 0.00 H new ATOM 0 HH2 TRP A 152 -7.354 3.490 4.551 1.00 0.00 H new ATOM 314 N LYS A 153 -5.143 1.761 -3.977 1.00 0.00 N ATOM 315 CA LYS A 153 -3.939 1.722 -4.802 1.00 0.00 C ATOM 316 C LYS A 153 -3.291 3.102 -4.879 1.00 0.00 C ATOM 317 O LYS A 153 -2.068 3.225 -4.809 1.00 0.00 O ATOM 318 CB LYS A 153 -4.309 1.213 -6.213 1.00 0.00 C ATOM 319 CG LYS A 153 -3.131 0.460 -6.867 1.00 0.00 C ATOM 320 CD LYS A 153 -3.660 -0.480 -7.959 1.00 0.00 C ATOM 321 CE LYS A 153 -4.304 0.331 -9.087 1.00 0.00 C ATOM 322 NZ LYS A 153 -4.338 -0.489 -10.330 1.00 0.00 N ATOM 0 H LYS A 153 -5.959 1.313 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.216 1.042 -4.351 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.174 0.553 -6.148 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.598 2.056 -6.841 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -2.426 1.171 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -2.589 -0.111 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -2.844 -1.084 -8.356 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -4.390 -1.169 -7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -5.315 0.627 -8.806 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -3.740 1.248 -9.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -4.775 0.061 -11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -3.368 -0.750 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -4.894 -1.351 -10.162 1.00 0.00 H new ATOM 336 N ASP A 154 -4.111 4.133 -5.014 1.00 0.00 N ATOM 337 CA ASP A 154 -3.590 5.490 -5.090 1.00 0.00 C ATOM 338 C ASP A 154 -3.123 5.964 -3.716 1.00 0.00 C ATOM 339 O ASP A 154 -2.017 6.480 -3.577 1.00 0.00 O ATOM 340 CB ASP A 154 -4.669 6.436 -5.619 1.00 0.00 C ATOM 341 CG ASP A 154 -4.986 6.105 -7.072 1.00 0.00 C ATOM 342 OD1 ASP A 154 -4.300 6.622 -7.940 1.00 0.00 O ATOM 343 OD2 ASP A 154 -5.908 5.339 -7.297 1.00 0.00 O ATOM 0 H ASP A 154 -5.127 4.059 -5.073 1.00 0.00 H new ATOM 0 HA ASP A 154 -2.739 5.494 -5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 154 -5.570 6.348 -5.012 1.00 0.00 H new ATOM 0 HB3 ASP A 154 -4.330 7.469 -5.538 1.00 0.00 H new ATOM 348 N GLU A 155 -3.970 5.783 -2.706 1.00 0.00 N ATOM 349 CA GLU A 155 -3.632 6.204 -1.349 1.00 0.00 C ATOM 350 C GLU A 155 -2.334 5.548 -0.874 1.00 0.00 C ATOM 351 O GLU A 155 -1.418 6.235 -0.422 1.00 0.00 O ATOM 352 CB GLU A 155 -4.786 5.860 -0.394 1.00 0.00 C ATOM 353 CG GLU A 155 -4.353 6.061 1.073 1.00 0.00 C ATOM 354 CD GLU A 155 -5.555 6.439 1.938 1.00 0.00 C ATOM 355 OE1 GLU A 155 -6.638 5.958 1.653 1.00 0.00 O ATOM 356 OE2 GLU A 155 -5.372 7.204 2.871 1.00 0.00 O ATOM 0 H GLU A 155 -4.889 5.351 -2.800 1.00 0.00 H new ATOM 0 HA GLU A 155 -3.478 7.283 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 155 -5.648 6.490 -0.614 1.00 0.00 H new ATOM 0 HB3 GLU A 155 -5.098 4.827 -0.549 1.00 0.00 H new ATOM 0 HG2 GLU A 155 -3.897 5.146 1.453 1.00 0.00 H new ATOM 0 HG3 GLU A 155 -3.595 6.842 1.131 1.00 0.00 H new ATOM 363 N ALA A 156 -2.251 4.225 -0.983 1.00 0.00 N ATOM 364 CA ALA A 156 -1.046 3.519 -0.561 1.00 0.00 C ATOM 365 C ALA A 156 0.163 4.107 -1.274 1.00 0.00 C ATOM 366 O ALA A 156 1.260 4.163 -0.721 1.00 0.00 O ATOM 367 CB ALA A 156 -1.159 2.023 -0.882 1.00 0.00 C ATOM 0 H ALA A 156 -2.991 3.629 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 156 -0.929 3.636 0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -0.251 1.512 -0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -2.017 1.602 -0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -1.289 1.890 -1.956 1.00 0.00 H new ATOM 373 N GLY A 157 -0.054 4.561 -2.505 1.00 0.00 N ATOM 374 CA GLY A 157 1.018 5.161 -3.288 1.00 0.00 C ATOM 375 C GLY A 157 1.491 6.462 -2.646 1.00 0.00 C ATOM 376 O GLY A 157 2.691 6.684 -2.486 1.00 0.00 O ATOM 0 H GLY A 157 -0.957 4.525 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.852 4.464 -3.366 1.00 0.00 H new ATOM 0 HA3 GLY A 157 0.669 5.356 -4.302 1.00 0.00 H new ATOM 380 N LYS A 158 0.542 7.322 -2.279 1.00 0.00 N ATOM 381 CA LYS A 158 0.882 8.597 -1.658 1.00 0.00 C ATOM 382 C LYS A 158 1.504 8.383 -0.282 1.00 0.00 C ATOM 383 O LYS A 158 2.419 9.104 0.110 1.00 0.00 O ATOM 384 CB LYS A 158 -0.365 9.476 -1.513 1.00 0.00 C ATOM 385 CG LYS A 158 -1.150 9.510 -2.838 1.00 0.00 C ATOM 386 CD LYS A 158 -1.949 10.814 -2.942 1.00 0.00 C ATOM 387 CE LYS A 158 -2.964 10.885 -1.799 1.00 0.00 C ATOM 388 NZ LYS A 158 -3.926 11.993 -2.056 1.00 0.00 N ATOM 0 H LYS A 158 -0.458 7.160 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 158 1.605 9.096 -2.304 1.00 0.00 H new ATOM 0 HB2 LYS A 158 -1.000 9.090 -0.716 1.00 0.00 H new ATOM 0 HB3 LYS A 158 -0.075 10.487 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 158 -0.462 9.427 -3.680 1.00 0.00 H new ATOM 0 HG3 LYS A 158 -1.824 8.655 -2.892 1.00 0.00 H new ATOM 0 HD2 LYS A 158 -1.275 11.670 -2.898 1.00 0.00 H new ATOM 0 HD3 LYS A 158 -2.463 10.862 -3.902 1.00 0.00 H new ATOM 0 HE2 LYS A 158 -3.498 9.938 -1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 158 -2.450 11.048 -0.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 158 -4.616 12.041 -1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 158 -3.410 12.894 -2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 158 -4.425 11.819 -2.952 1.00 0.00 H new ATOM 402 N GLN A 159 0.999 7.395 0.452 1.00 0.00 N ATOM 403 CA GLN A 159 1.517 7.116 1.789 1.00 0.00 C ATOM 404 C GLN A 159 3.016 6.814 1.731 1.00 0.00 C ATOM 405 O GLN A 159 3.783 7.265 2.578 1.00 0.00 O ATOM 406 CB GLN A 159 0.756 5.924 2.417 1.00 0.00 C ATOM 407 CG GLN A 159 0.613 6.130 3.934 1.00 0.00 C ATOM 408 CD GLN A 159 -0.502 7.128 4.225 1.00 0.00 C ATOM 409 OE1 GLN A 159 -0.250 8.198 4.779 1.00 0.00 O ATOM 410 NE2 GLN A 159 -1.728 6.838 3.884 1.00 0.00 N ATOM 0 H GLN A 159 0.242 6.782 0.150 1.00 0.00 H new ATOM 0 HA GLN A 159 1.366 7.998 2.411 1.00 0.00 H new ATOM 0 HB2 GLN A 159 -0.229 5.830 1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 159 1.290 4.995 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 159 0.395 5.178 4.419 1.00 0.00 H new ATOM 0 HG3 GLN A 159 1.553 6.492 4.350 1.00 0.00 H new ATOM 0 HE21 GLN A 159 -1.933 5.951 3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 159 -2.481 7.499 4.076 1.00 0.00 H new ATOM 419 N CYS A 160 3.419 6.040 0.730 1.00 0.00 N ATOM 420 CA CYS A 160 4.820 5.679 0.574 1.00 0.00 C ATOM 421 C CYS A 160 5.629 6.840 0.004 1.00 0.00 C ATOM 422 O CYS A 160 6.735 7.123 0.462 1.00 0.00 O ATOM 423 CB CYS A 160 4.935 4.475 -0.357 1.00 0.00 C ATOM 424 SG CYS A 160 6.586 3.752 -0.210 1.00 0.00 S ATOM 0 H CYS A 160 2.798 5.653 0.019 1.00 0.00 H new ATOM 0 HA CYS A 160 5.221 5.432 1.557 1.00 0.00 H new ATOM 0 HB2 CYS A 160 4.178 3.733 -0.104 1.00 0.00 H new ATOM 0 HB3 CYS A 160 4.751 4.780 -1.387 1.00 0.00 H new ATOM 429 N LYS A 161 5.074 7.500 -1.007 1.00 0.00 N ATOM 430 CA LYS A 161 5.758 8.620 -1.644 1.00 0.00 C ATOM 431 C LYS A 161 5.993 9.753 -0.650 1.00 0.00 C ATOM 432 O LYS A 161 7.115 10.242 -0.508 1.00 0.00 O ATOM 433 CB LYS A 161 4.930 9.138 -2.820 1.00 0.00 C ATOM 434 CG LYS A 161 4.960 8.114 -3.956 1.00 0.00 C ATOM 435 CD LYS A 161 3.907 8.482 -5.004 1.00 0.00 C ATOM 436 CE LYS A 161 3.902 7.429 -6.114 1.00 0.00 C ATOM 437 NZ LYS A 161 2.978 7.860 -7.202 1.00 0.00 N ATOM 0 H LYS A 161 4.159 7.281 -1.401 1.00 0.00 H new ATOM 0 HA LYS A 161 6.724 8.266 -2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 161 3.902 9.316 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 161 5.327 10.092 -3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 161 5.950 8.090 -4.412 1.00 0.00 H new ATOM 0 HG3 LYS A 161 4.765 7.115 -3.565 1.00 0.00 H new ATOM 0 HD2 LYS A 161 2.922 8.542 -4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 161 4.123 9.465 -5.422 1.00 0.00 H new ATOM 0 HE2 LYS A 161 4.909 7.296 -6.509 1.00 0.00 H new ATOM 0 HE3 LYS A 161 3.586 6.465 -5.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 161 2.974 7.145 -7.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 161 2.017 7.965 -6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 161 3.298 8.771 -7.589 1.00 0.00 H new ATOM 451 N THR A 162 4.934 10.171 0.033 1.00 0.00 N ATOM 452 CA THR A 162 5.048 11.252 1.005 1.00 0.00 C ATOM 453 C THR A 162 6.007 10.861 2.126 1.00 0.00 C ATOM 454 O THR A 162 6.675 11.712 2.710 1.00 0.00 O ATOM 455 CB THR A 162 3.668 11.597 1.584 1.00 0.00 C ATOM 456 OG1 THR A 162 3.740 12.842 2.262 1.00 0.00 O ATOM 457 CG2 THR A 162 3.216 10.510 2.564 1.00 0.00 C ATOM 0 H THR A 162 3.996 9.783 -0.066 1.00 0.00 H new ATOM 0 HA THR A 162 5.445 12.132 0.498 1.00 0.00 H new ATOM 0 HB THR A 162 2.947 11.660 0.769 1.00 0.00 H new ATOM 0 HG1 THR A 162 2.860 13.065 2.631 1.00 0.00 H new ATOM 0 HG21 THR A 162 2.236 10.768 2.967 1.00 0.00 H new ATOM 0 HG22 THR A 162 3.155 9.554 2.044 1.00 0.00 H new ATOM 0 HG23 THR A 162 3.935 10.434 3.380 1.00 0.00 H new ATOM 465 N LYS A 163 6.070 9.564 2.419 1.00 0.00 N ATOM 466 CA LYS A 163 6.955 9.073 3.468 1.00 0.00 C ATOM 467 C LYS A 163 8.395 9.035 2.970 1.00 0.00 C ATOM 468 O LYS A 163 8.646 8.908 1.771 1.00 0.00 O ATOM 469 CB LYS A 163 6.518 7.670 3.912 1.00 0.00 C ATOM 470 CG LYS A 163 5.315 7.778 4.866 1.00 0.00 C ATOM 471 CD LYS A 163 5.768 8.271 6.274 1.00 0.00 C ATOM 472 CE LYS A 163 5.065 9.588 6.639 1.00 0.00 C ATOM 473 NZ LYS A 163 5.292 9.886 8.082 1.00 0.00 N ATOM 0 H LYS A 163 5.524 8.842 1.949 1.00 0.00 H new ATOM 0 HA LYS A 163 6.895 9.750 4.320 1.00 0.00 H new ATOM 0 HB2 LYS A 163 6.252 7.069 3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 163 7.344 7.162 4.409 1.00 0.00 H new ATOM 0 HG2 LYS A 163 4.579 8.468 4.454 1.00 0.00 H new ATOM 0 HG3 LYS A 163 4.827 6.807 4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 163 5.540 7.512 7.022 1.00 0.00 H new ATOM 0 HD3 LYS A 163 6.848 8.414 6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 163 5.449 10.401 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 163 3.997 9.512 6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 163 4.817 10.777 8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 163 4.905 9.114 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 163 6.312 9.976 8.262 1.00 0.00 H new ATOM 487 N LYS A 164 9.338 9.150 3.901 1.00 0.00 N ATOM 488 CA LYS A 164 10.757 9.134 3.555 1.00 0.00 C ATOM 489 C LYS A 164 11.574 8.499 4.675 1.00 0.00 C ATOM 490 O LYS A 164 11.084 8.322 5.791 1.00 0.00 O ATOM 491 CB LYS A 164 11.251 10.567 3.314 1.00 0.00 C ATOM 492 CG LYS A 164 10.753 11.504 4.442 1.00 0.00 C ATOM 493 CD LYS A 164 9.431 12.178 4.042 1.00 0.00 C ATOM 494 CE LYS A 164 9.041 13.201 5.111 1.00 0.00 C ATOM 495 NZ LYS A 164 10.075 14.271 5.175 1.00 0.00 N ATOM 0 H LYS A 164 9.147 9.255 4.897 1.00 0.00 H new ATOM 0 HA LYS A 164 10.884 8.545 2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 164 12.340 10.582 3.274 1.00 0.00 H new ATOM 0 HB3 LYS A 164 10.892 10.925 2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 164 10.613 10.934 5.360 1.00 0.00 H new ATOM 0 HG3 LYS A 164 11.506 12.264 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 164 9.538 12.669 3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 164 8.646 11.430 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 164 8.068 13.634 4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 164 8.948 12.712 6.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 10.477 14.308 6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 10.830 14.065 4.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 9.640 15.188 4.946 1.00 0.00 H new ATOM 509 N SER A 165 12.823 8.166 4.370 1.00 0.00 N ATOM 510 CA SER A 165 13.705 7.557 5.357 1.00 0.00 C ATOM 511 C SER A 165 14.268 8.627 6.291 1.00 0.00 C ATOM 512 O SER A 165 13.905 9.799 6.193 1.00 0.00 O ATOM 513 CB SER A 165 14.851 6.831 4.650 1.00 0.00 C ATOM 514 OG SER A 165 15.904 6.596 5.575 1.00 0.00 O ATOM 0 H SER A 165 13.245 8.307 3.452 1.00 0.00 H new ATOM 0 HA SER A 165 13.134 6.839 5.946 1.00 0.00 H new ATOM 0 HB2 SER A 165 14.498 5.886 4.237 1.00 0.00 H new ATOM 0 HB3 SER A 165 15.214 7.429 3.814 1.00 0.00 H new ATOM 0 HG SER A 165 16.638 6.129 5.123 1.00 0.00 H new ATOM 520 N LYS A 166 15.150 8.218 7.196 1.00 0.00 N ATOM 521 CA LYS A 166 15.747 9.156 8.139 1.00 0.00 C ATOM 522 C LYS A 166 16.523 10.243 7.399 1.00 0.00 C ATOM 523 O LYS A 166 16.608 11.380 7.862 1.00 0.00 O ATOM 524 CB LYS A 166 16.690 8.413 9.092 1.00 0.00 C ATOM 525 CG LYS A 166 15.913 7.332 9.864 1.00 0.00 C ATOM 526 CD LYS A 166 15.205 7.947 11.079 1.00 0.00 C ATOM 527 CE LYS A 166 14.578 6.834 11.918 1.00 0.00 C ATOM 528 NZ LYS A 166 13.940 7.424 13.128 1.00 0.00 N ATOM 0 H LYS A 166 15.465 7.253 7.297 1.00 0.00 H new ATOM 0 HA LYS A 166 14.946 9.623 8.711 1.00 0.00 H new ATOM 0 HB2 LYS A 166 17.503 7.956 8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 166 17.142 9.116 9.791 1.00 0.00 H new ATOM 0 HG2 LYS A 166 15.180 6.863 9.207 1.00 0.00 H new ATOM 0 HG3 LYS A 166 16.596 6.548 10.191 1.00 0.00 H new ATOM 0 HD2 LYS A 166 15.916 8.514 11.680 1.00 0.00 H new ATOM 0 HD3 LYS A 166 14.437 8.647 10.750 1.00 0.00 H new ATOM 0 HE2 LYS A 166 13.836 6.294 11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 166 15.340 6.112 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 13.513 6.667 13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 14.659 7.920 13.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 13.202 8.097 12.838 1.00 0.00 H new ATOM 542 N GLY A 167 17.091 9.884 6.250 1.00 0.00 N ATOM 543 CA GLY A 167 17.864 10.835 5.451 1.00 0.00 C ATOM 544 C GLY A 167 16.982 11.527 4.415 1.00 0.00 C ATOM 545 O GLY A 167 17.412 11.770 3.288 1.00 0.00 O ATOM 0 H GLY A 167 17.032 8.947 5.852 1.00 0.00 H new ATOM 0 HA2 GLY A 167 18.316 11.581 6.105 1.00 0.00 H new ATOM 0 HA3 GLY A 167 18.680 10.315 4.949 1.00 0.00 H new ATOM 549 N ASN A 168 15.751 11.845 4.806 1.00 0.00 N ATOM 550 CA ASN A 168 14.816 12.514 3.903 1.00 0.00 C ATOM 551 C ASN A 168 14.917 11.936 2.489 1.00 0.00 C ATOM 552 O ASN A 168 14.880 12.671 1.503 1.00 0.00 O ATOM 553 CB ASN A 168 15.110 14.028 3.884 1.00 0.00 C ATOM 554 CG ASN A 168 13.818 14.821 3.697 1.00 0.00 C ATOM 555 OD1 ASN A 168 12.782 14.530 4.434 1.00 0.00 O flip ATOM 556 ND2 ASN A 168 13.754 15.725 2.866 1.00 0.00 N flip ATOM 0 H ASN A 168 15.378 11.652 5.736 1.00 0.00 H new ATOM 0 HA ASN A 168 13.801 12.348 4.264 1.00 0.00 H new ATOM 0 HB2 ASN A 168 15.593 14.322 4.816 1.00 0.00 H new ATOM 0 HB3 ASN A 168 15.806 14.259 3.077 1.00 0.00 H new ATOM 0 HD21 ASN A 168 14.567 15.949 2.292 1.00 0.00 H new ATOM 0 HD22 ASN A 168 12.888 16.251 2.751 1.00 0.00 H new ATOM 563 N LYS A 169 15.049 10.615 2.406 1.00 0.00 N ATOM 564 CA LYS A 169 15.159 9.937 1.115 1.00 0.00 C ATOM 565 C LYS A 169 13.764 9.696 0.529 1.00 0.00 C ATOM 566 O LYS A 169 12.774 10.241 1.015 1.00 0.00 O ATOM 567 CB LYS A 169 15.921 8.601 1.304 1.00 0.00 C ATOM 568 CG LYS A 169 16.943 8.380 0.173 1.00 0.00 C ATOM 569 CD LYS A 169 17.815 7.162 0.495 1.00 0.00 C ATOM 570 CE LYS A 169 16.938 5.920 0.692 1.00 0.00 C ATOM 571 NZ LYS A 169 15.805 5.946 -0.275 1.00 0.00 N ATOM 0 H LYS A 169 15.082 9.993 3.214 1.00 0.00 H new ATOM 0 HA LYS A 169 15.714 10.562 0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 169 16.434 8.604 2.266 1.00 0.00 H new ATOM 0 HB3 LYS A 169 15.211 7.774 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 169 16.425 8.228 -0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 169 17.568 9.266 0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 169 18.525 6.990 -0.314 1.00 0.00 H new ATOM 0 HD3 LYS A 169 18.398 7.351 1.396 1.00 0.00 H new ATOM 0 HE2 LYS A 169 17.532 5.017 0.547 1.00 0.00 H new ATOM 0 HE3 LYS A 169 16.557 5.890 1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 169 15.430 4.984 -0.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 169 15.054 6.568 0.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 169 16.139 6.305 -1.192 1.00 0.00 H new ATOM 585 N ASP A 170 13.693 8.876 -0.522 1.00 0.00 N ATOM 586 CA ASP A 170 12.417 8.565 -1.173 1.00 0.00 C ATOM 587 C ASP A 170 12.263 7.057 -1.342 1.00 0.00 C ATOM 588 O ASP A 170 13.249 6.324 -1.373 1.00 0.00 O ATOM 589 CB ASP A 170 12.359 9.242 -2.545 1.00 0.00 C ATOM 590 CG ASP A 170 10.923 9.255 -3.063 1.00 0.00 C ATOM 591 OD1 ASP A 170 10.214 10.200 -2.760 1.00 0.00 O ATOM 592 OD2 ASP A 170 10.555 8.319 -3.755 1.00 0.00 O ATOM 0 H ASP A 170 14.502 8.416 -0.940 1.00 0.00 H new ATOM 0 HA ASP A 170 11.605 8.936 -0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 170 12.737 10.262 -2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 170 13.003 8.713 -3.248 1.00 0.00 H new ATOM 597 N MET A 171 11.017 6.600 -1.452 1.00 0.00 N ATOM 598 CA MET A 171 10.740 5.173 -1.617 1.00 0.00 C ATOM 599 C MET A 171 9.475 4.959 -2.443 1.00 0.00 C ATOM 600 O MET A 171 8.472 5.645 -2.250 1.00 0.00 O ATOM 601 CB MET A 171 10.560 4.512 -0.248 1.00 0.00 C ATOM 602 CG MET A 171 11.790 4.780 0.624 1.00 0.00 C ATOM 603 SD MET A 171 11.715 3.746 2.112 1.00 0.00 S ATOM 604 CE MET A 171 11.920 2.136 1.308 1.00 0.00 C ATOM 0 H MET A 171 10.187 7.193 -1.430 1.00 0.00 H new ATOM 0 HA MET A 171 11.585 4.723 -2.137 1.00 0.00 H new ATOM 0 HB2 MET A 171 9.666 4.901 0.239 1.00 0.00 H new ATOM 0 HB3 MET A 171 10.415 3.438 -0.369 1.00 0.00 H new ATOM 0 HG2 MET A 171 12.700 4.564 0.064 1.00 0.00 H new ATOM 0 HG3 MET A 171 11.829 5.833 0.902 1.00 0.00 H new ATOM 0 HE1 MET A 171 12.220 1.395 2.049 1.00 0.00 H new ATOM 0 HE2 MET A 171 10.977 1.834 0.853 1.00 0.00 H new ATOM 0 HE3 MET A 171 12.687 2.209 0.537 1.00 0.00 H new ATOM 614 N ILE A 172 9.527 3.987 -3.353 1.00 0.00 N ATOM 615 CA ILE A 172 8.379 3.666 -4.198 1.00 0.00 C ATOM 616 C ILE A 172 7.546 2.578 -3.536 1.00 0.00 C ATOM 617 O ILE A 172 7.803 2.211 -2.394 1.00 0.00 O ATOM 618 CB ILE A 172 8.852 3.193 -5.583 1.00 0.00 C ATOM 619 CG1 ILE A 172 9.648 1.880 -5.468 1.00 0.00 C ATOM 620 CG2 ILE A 172 9.753 4.264 -6.201 1.00 0.00 C ATOM 621 CD1 ILE A 172 9.935 1.337 -6.871 1.00 0.00 C ATOM 0 H ILE A 172 10.350 3.410 -3.523 1.00 0.00 H new ATOM 0 HA ILE A 172 7.770 4.561 -4.324 1.00 0.00 H new ATOM 0 HB ILE A 172 7.976 3.023 -6.210 1.00 0.00 H new ATOM 0 HG12 ILE A 172 10.583 2.054 -4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 172 9.083 1.148 -4.891 1.00 0.00 H new ATOM 0 HG21 ILE A 172 10.091 3.933 -7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 172 9.194 5.194 -6.304 1.00 0.00 H new ATOM 0 HG23 ILE A 172 10.617 4.429 -5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 172 10.499 0.407 -6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 172 8.994 1.149 -7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 172 10.517 2.068 -7.432 1.00 0.00 H new ATOM 633 N VAL A 173 6.568 2.047 -4.268 1.00 0.00 N ATOM 634 CA VAL A 173 5.717 0.971 -3.752 1.00 0.00 C ATOM 635 C VAL A 173 5.973 -0.303 -4.549 1.00 0.00 C ATOM 636 O VAL A 173 5.609 -0.404 -5.720 1.00 0.00 O ATOM 637 CB VAL A 173 4.236 1.368 -3.839 1.00 0.00 C ATOM 638 CG1 VAL A 173 3.354 0.152 -3.531 1.00 0.00 C ATOM 639 CG2 VAL A 173 3.939 2.484 -2.824 1.00 0.00 C ATOM 0 H VAL A 173 6.344 2.342 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 173 5.960 0.795 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 173 4.021 1.725 -4.846 1.00 0.00 H new ATOM 0 HG11 VAL A 173 2.304 0.439 -3.594 1.00 0.00 H new ATOM 0 HG12 VAL A 173 3.558 -0.638 -4.254 1.00 0.00 H new ATOM 0 HG13 VAL A 173 3.572 -0.210 -2.526 1.00 0.00 H new ATOM 0 HG21 VAL A 173 2.887 2.764 -2.888 1.00 0.00 H new ATOM 0 HG22 VAL A 173 4.159 2.128 -1.817 1.00 0.00 H new ATOM 0 HG23 VAL A 173 4.559 3.352 -3.046 1.00 0.00 H new ATOM 649 N ARG A 174 6.620 -1.263 -3.902 1.00 0.00 N ATOM 650 CA ARG A 174 6.953 -2.528 -4.543 1.00 0.00 C ATOM 651 C ARG A 174 5.715 -3.427 -4.646 1.00 0.00 C ATOM 652 O ARG A 174 5.343 -3.853 -5.739 1.00 0.00 O ATOM 653 CB ARG A 174 8.085 -3.212 -3.740 1.00 0.00 C ATOM 654 CG ARG A 174 8.010 -4.743 -3.852 1.00 0.00 C ATOM 655 CD ARG A 174 9.354 -5.357 -3.457 1.00 0.00 C ATOM 656 NE ARG A 174 9.257 -6.811 -3.436 1.00 0.00 N ATOM 657 CZ ARG A 174 10.268 -7.563 -3.007 1.00 0.00 C ATOM 658 NH1 ARG A 174 11.370 -6.998 -2.596 1.00 0.00 N ATOM 659 NH2 ARG A 174 10.157 -8.862 -2.998 1.00 0.00 N ATOM 0 H ARG A 174 6.925 -1.189 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 174 7.300 -2.346 -5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.052 -2.866 -4.106 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.017 -2.919 -2.692 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.221 -5.126 -3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 174 7.754 -5.030 -4.872 1.00 0.00 H new ATOM 0 HD2 ARG A 174 10.125 -5.047 -4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 174 9.655 -4.991 -2.475 1.00 0.00 H new ATOM 0 HE ARG A 174 8.399 -7.260 -3.756 1.00 0.00 H new ATOM 0 HH11 ARG A 174 11.456 -5.982 -2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 174 12.146 -7.573 -2.267 1.00 0.00 H new ATOM 0 HH21 ARG A 174 9.295 -9.302 -3.320 1.00 0.00 H new ATOM 0 HH22 ARG A 174 10.932 -9.438 -2.669 1.00 0.00 H new ATOM 673 N SER A 175 5.089 -3.718 -3.505 1.00 0.00 N ATOM 674 CA SER A 175 3.900 -4.580 -3.478 1.00 0.00 C ATOM 675 C SER A 175 2.672 -3.798 -3.024 1.00 0.00 C ATOM 676 O SER A 175 2.789 -2.698 -2.483 1.00 0.00 O ATOM 677 CB SER A 175 4.134 -5.759 -2.531 1.00 0.00 C ATOM 678 OG SER A 175 3.212 -6.795 -2.836 1.00 0.00 O ATOM 0 H SER A 175 5.381 -3.373 -2.591 1.00 0.00 H new ATOM 0 HA SER A 175 3.723 -4.950 -4.488 1.00 0.00 H new ATOM 0 HB2 SER A 175 5.156 -6.124 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 175 4.011 -5.439 -1.496 1.00 0.00 H new ATOM 0 HG SER A 175 3.360 -7.553 -2.232 1.00 0.00 H new ATOM 684 N PHE A 176 1.494 -4.377 -3.245 1.00 0.00 N ATOM 685 CA PHE A 176 0.254 -3.725 -2.849 1.00 0.00 C ATOM 686 C PHE A 176 -0.925 -4.695 -2.956 1.00 0.00 C ATOM 687 O PHE A 176 -1.096 -5.382 -3.964 1.00 0.00 O ATOM 688 CB PHE A 176 0.035 -2.474 -3.723 1.00 0.00 C ATOM 689 CG PHE A 176 -1.429 -2.071 -3.745 1.00 0.00 C ATOM 690 CD1 PHE A 176 -1.951 -1.281 -2.718 1.00 0.00 C ATOM 691 CD2 PHE A 176 -2.260 -2.497 -4.787 1.00 0.00 C ATOM 692 CE1 PHE A 176 -3.294 -0.917 -2.727 1.00 0.00 C ATOM 693 CE2 PHE A 176 -3.610 -2.126 -4.799 1.00 0.00 C ATOM 694 CZ PHE A 176 -4.128 -1.336 -3.765 1.00 0.00 C ATOM 0 H PHE A 176 1.375 -5.286 -3.691 1.00 0.00 H new ATOM 0 HA PHE A 176 0.324 -3.415 -1.806 1.00 0.00 H new ATOM 0 HB2 PHE A 176 0.636 -1.649 -3.340 1.00 0.00 H new ATOM 0 HB3 PHE A 176 0.376 -2.672 -4.739 1.00 0.00 H new ATOM 0 HD1 PHE A 176 -1.310 -0.951 -1.914 1.00 0.00 H new ATOM 0 HD2 PHE A 176 -1.861 -3.111 -5.581 1.00 0.00 H new ATOM 0 HE1 PHE A 176 -3.692 -0.309 -1.929 1.00 0.00 H new ATOM 0 HE2 PHE A 176 -4.252 -2.449 -5.605 1.00 0.00 H new ATOM 0 HZ PHE A 176 -5.170 -1.052 -3.771 1.00 0.00 H new ATOM 704 N ALA A 177 -1.731 -4.732 -1.899 1.00 0.00 N ATOM 705 CA ALA A 177 -2.903 -5.608 -1.849 1.00 0.00 C ATOM 706 C ALA A 177 -3.793 -5.200 -0.682 1.00 0.00 C ATOM 707 O ALA A 177 -3.290 -4.843 0.376 1.00 0.00 O ATOM 708 CB ALA A 177 -2.462 -7.062 -1.672 1.00 0.00 C ATOM 0 H ALA A 177 -1.596 -4.165 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 177 -3.458 -5.515 -2.782 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -3.340 -7.707 -1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.831 -7.355 -2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 177 -1.900 -7.161 -0.743 1.00 0.00 H new ATOM 714 N VAL A 178 -5.111 -5.245 -0.870 1.00 0.00 N ATOM 715 CA VAL A 178 -6.023 -4.848 0.204 1.00 0.00 C ATOM 716 C VAL A 178 -5.966 -5.839 1.361 1.00 0.00 C ATOM 717 O VAL A 178 -5.442 -6.945 1.218 1.00 0.00 O ATOM 718 CB VAL A 178 -7.460 -4.719 -0.315 1.00 0.00 C ATOM 719 CG1 VAL A 178 -7.549 -3.530 -1.280 1.00 0.00 C ATOM 720 CG2 VAL A 178 -7.881 -6.006 -1.039 1.00 0.00 C ATOM 0 H VAL A 178 -5.564 -5.544 -1.733 1.00 0.00 H new ATOM 0 HA VAL A 178 -5.701 -3.873 0.569 1.00 0.00 H new ATOM 0 HB VAL A 178 -8.130 -4.556 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -8.570 -3.437 -1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -7.268 -2.616 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -6.872 -3.691 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -8.903 -5.901 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -7.213 -6.185 -1.881 1.00 0.00 H new ATOM 0 HG23 VAL A 178 -7.826 -6.847 -0.348 1.00 0.00 H new ATOM 730 N LEU A 179 -6.476 -5.421 2.525 1.00 0.00 N ATOM 731 CA LEU A 179 -6.447 -6.262 3.727 1.00 0.00 C ATOM 732 C LEU A 179 -7.843 -6.719 4.147 1.00 0.00 C ATOM 733 O LEU A 179 -8.376 -7.696 3.623 1.00 0.00 O ATOM 734 CB LEU A 179 -5.816 -5.478 4.894 1.00 0.00 C ATOM 735 CG LEU A 179 -4.288 -5.371 4.732 1.00 0.00 C ATOM 736 CD1 LEU A 179 -3.704 -4.462 5.854 1.00 0.00 C ATOM 737 CD2 LEU A 179 -3.648 -6.786 4.783 1.00 0.00 C ATOM 0 H LEU A 179 -6.912 -4.509 2.660 1.00 0.00 H new ATOM 0 HA LEU A 179 -5.856 -7.145 3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 179 -6.250 -4.479 4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 179 -6.051 -5.972 5.837 1.00 0.00 H new ATOM 0 HG LEU A 179 -4.057 -4.924 3.765 1.00 0.00 H new ATOM 0 HD11 LEU A 179 -2.623 -4.388 5.737 1.00 0.00 H new ATOM 0 HD12 LEU A 179 -4.145 -3.468 5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 179 -3.935 -4.893 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 179 -2.567 -6.701 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 179 -3.875 -7.254 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 179 -4.052 -7.397 3.976 1.00 0.00 H new ATOM 749 N GLU A 180 -8.403 -6.022 5.131 1.00 0.00 N ATOM 750 CA GLU A 180 -9.713 -6.375 5.669 1.00 0.00 C ATOM 751 C GLU A 180 -10.840 -6.036 4.685 1.00 0.00 C ATOM 752 O GLU A 180 -10.754 -5.042 3.965 1.00 0.00 O ATOM 753 CB GLU A 180 -9.947 -5.627 6.982 1.00 0.00 C ATOM 754 CG GLU A 180 -9.038 -6.202 8.070 1.00 0.00 C ATOM 755 CD GLU A 180 -9.035 -5.282 9.285 1.00 0.00 C ATOM 756 OE1 GLU A 180 -9.988 -5.336 10.046 1.00 0.00 O ATOM 757 OE2 GLU A 180 -8.081 -4.538 9.439 1.00 0.00 O ATOM 0 H GLU A 180 -7.971 -5.210 5.572 1.00 0.00 H new ATOM 0 HA GLU A 180 -9.724 -7.451 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 180 -9.743 -4.565 6.848 1.00 0.00 H new ATOM 0 HB3 GLU A 180 -10.991 -5.716 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 180 -9.383 -7.195 8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 180 -8.024 -6.315 7.686 1.00 0.00 H new ATOM 764 N PRO A 181 -11.894 -6.827 4.646 1.00 0.00 N ATOM 765 CA PRO A 181 -13.050 -6.575 3.735 1.00 0.00 C ATOM 766 C PRO A 181 -14.007 -5.504 4.273 1.00 0.00 C ATOM 767 O PRO A 181 -14.213 -5.375 5.478 1.00 0.00 O ATOM 768 CB PRO A 181 -13.742 -7.938 3.683 1.00 0.00 C ATOM 769 CG PRO A 181 -13.517 -8.506 5.044 1.00 0.00 C ATOM 770 CD PRO A 181 -12.112 -8.051 5.450 1.00 0.00 C ATOM 0 HA PRO A 181 -12.733 -6.196 2.763 1.00 0.00 H new ATOM 0 HB2 PRO A 181 -14.805 -7.838 3.462 1.00 0.00 H new ATOM 0 HB3 PRO A 181 -13.314 -8.574 2.909 1.00 0.00 H new ATOM 0 HG2 PRO A 181 -14.266 -8.144 5.749 1.00 0.00 H new ATOM 0 HG3 PRO A 181 -13.589 -9.594 5.032 1.00 0.00 H new ATOM 0 HD2 PRO A 181 -12.051 -7.844 6.519 1.00 0.00 H new ATOM 0 HD3 PRO A 181 -11.365 -8.813 5.230 1.00 0.00 H new ATOM 778 N CYS A 182 -14.590 -4.758 3.344 1.00 0.00 N ATOM 779 CA CYS A 182 -15.549 -3.691 3.654 1.00 0.00 C ATOM 780 C CYS A 182 -16.744 -3.833 2.710 1.00 0.00 C ATOM 781 O CYS A 182 -16.870 -4.850 2.030 1.00 0.00 O ATOM 782 CB CYS A 182 -14.892 -2.318 3.494 1.00 0.00 C ATOM 783 SG CYS A 182 -15.702 -1.081 4.533 1.00 0.00 S ATOM 0 H CYS A 182 -14.414 -4.872 2.346 1.00 0.00 H new ATOM 0 HA CYS A 182 -15.883 -3.777 4.688 1.00 0.00 H new ATOM 0 HB2 CYS A 182 -13.837 -2.384 3.758 1.00 0.00 H new ATOM 0 HB3 CYS A 182 -14.940 -2.008 2.450 1.00 0.00 H new ATOM 788 N ALA A 183 -17.621 -2.831 2.694 1.00 0.00 N ATOM 789 CA ALA A 183 -18.814 -2.867 1.837 1.00 0.00 C ATOM 790 C ALA A 183 -18.538 -3.570 0.500 1.00 0.00 C ATOM 791 O ALA A 183 -17.388 -3.737 0.101 1.00 0.00 O ATOM 792 CB ALA A 183 -19.295 -1.441 1.564 1.00 0.00 C ATOM 0 H ALA A 183 -17.533 -1.987 3.260 1.00 0.00 H new ATOM 0 HA ALA A 183 -19.582 -3.433 2.365 1.00 0.00 H new ATOM 0 HB1 ALA A 183 -20.180 -1.471 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 183 -19.542 -0.954 2.507 1.00 0.00 H new ATOM 0 HB3 ALA A 183 -18.506 -0.881 1.062 1.00 0.00 H new ATOM 798 N LEU A 184 -19.624 -3.986 -0.165 1.00 0.00 N ATOM 799 CA LEU A 184 -19.566 -4.704 -1.453 1.00 0.00 C ATOM 800 C LEU A 184 -18.199 -4.607 -2.141 1.00 0.00 C ATOM 801 O LEU A 184 -17.496 -5.611 -2.271 1.00 0.00 O ATOM 802 CB LEU A 184 -20.655 -4.147 -2.386 1.00 0.00 C ATOM 803 CG LEU A 184 -21.096 -5.213 -3.399 1.00 0.00 C ATOM 804 CD1 LEU A 184 -22.174 -4.626 -4.314 1.00 0.00 C ATOM 805 CD2 LEU A 184 -19.896 -5.664 -4.245 1.00 0.00 C ATOM 0 H LEU A 184 -20.574 -3.835 0.174 1.00 0.00 H new ATOM 0 HA LEU A 184 -19.733 -5.760 -1.242 1.00 0.00 H new ATOM 0 HB2 LEU A 184 -21.512 -3.820 -1.798 1.00 0.00 H new ATOM 0 HB3 LEU A 184 -20.277 -3.271 -2.913 1.00 0.00 H new ATOM 0 HG LEU A 184 -21.496 -6.074 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 184 -22.490 -5.380 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 184 -23.030 -4.316 -3.715 1.00 0.00 H new ATOM 0 HD13 LEU A 184 -21.771 -3.763 -4.845 1.00 0.00 H new ATOM 0 HD21 LEU A 184 -20.219 -6.420 -4.961 1.00 0.00 H new ATOM 0 HD22 LEU A 184 -19.487 -4.808 -4.782 1.00 0.00 H new ATOM 0 HD23 LEU A 184 -19.129 -6.084 -3.594 1.00 0.00 H new ATOM 817 N ASP A 185 -17.828 -3.407 -2.587 1.00 0.00 N ATOM 818 CA ASP A 185 -16.541 -3.204 -3.270 1.00 0.00 C ATOM 819 C ASP A 185 -15.688 -2.201 -2.507 1.00 0.00 C ATOM 820 O ASP A 185 -15.458 -1.086 -2.977 1.00 0.00 O ATOM 821 CB ASP A 185 -16.785 -2.690 -4.689 1.00 0.00 C ATOM 822 CG ASP A 185 -17.537 -1.365 -4.643 1.00 0.00 C ATOM 823 OD1 ASP A 185 -18.430 -1.242 -3.820 1.00 0.00 O ATOM 824 OD2 ASP A 185 -17.210 -0.491 -5.429 1.00 0.00 O ATOM 0 H ASP A 185 -18.393 -2.563 -2.491 1.00 0.00 H new ATOM 0 HA ASP A 185 -16.014 -4.157 -3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 185 -15.834 -2.560 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 185 -17.358 -3.423 -5.256 1.00 0.00 H new ATOM 829 N MET A 186 -15.228 -2.602 -1.327 1.00 0.00 N ATOM 830 CA MET A 186 -14.411 -1.728 -0.492 1.00 0.00 C ATOM 831 C MET A 186 -13.598 -2.537 0.516 1.00 0.00 C ATOM 832 O MET A 186 -13.902 -3.699 0.781 1.00 0.00 O ATOM 833 CB MET A 186 -15.308 -0.720 0.242 1.00 0.00 C ATOM 834 CG MET A 186 -15.846 0.337 -0.730 1.00 0.00 C ATOM 835 SD MET A 186 -16.372 1.794 0.210 1.00 0.00 S ATOM 836 CE MET A 186 -15.981 3.037 -1.047 1.00 0.00 C ATOM 0 H MET A 186 -15.406 -3.524 -0.928 1.00 0.00 H new ATOM 0 HA MET A 186 -13.715 -1.190 -1.136 1.00 0.00 H new ATOM 0 HB2 MET A 186 -16.139 -1.243 0.715 1.00 0.00 H new ATOM 0 HB3 MET A 186 -14.743 -0.235 1.038 1.00 0.00 H new ATOM 0 HG2 MET A 186 -15.076 0.612 -1.450 1.00 0.00 H new ATOM 0 HG3 MET A 186 -16.684 -0.067 -1.298 1.00 0.00 H new ATOM 0 HE1 MET A 186 -16.131 4.034 -0.632 1.00 0.00 H new ATOM 0 HE2 MET A 186 -14.942 2.926 -1.358 1.00 0.00 H new ATOM 0 HE3 MET A 186 -16.634 2.901 -1.909 1.00 0.00 H new ATOM 846 N PHE A 187 -12.560 -1.909 1.080 1.00 0.00 N ATOM 847 CA PHE A 187 -11.699 -2.570 2.071 1.00 0.00 C ATOM 848 C PHE A 187 -11.445 -1.656 3.272 1.00 0.00 C ATOM 849 O PHE A 187 -11.146 -0.472 3.114 1.00 0.00 O ATOM 850 CB PHE A 187 -10.381 -2.950 1.408 1.00 0.00 C ATOM 851 CG PHE A 187 -10.695 -3.888 0.274 1.00 0.00 C ATOM 852 CD1 PHE A 187 -10.798 -5.261 0.514 1.00 0.00 C ATOM 853 CD2 PHE A 187 -10.915 -3.381 -1.010 1.00 0.00 C ATOM 854 CE1 PHE A 187 -11.117 -6.132 -0.532 1.00 0.00 C ATOM 855 CE2 PHE A 187 -11.239 -4.247 -2.057 1.00 0.00 C ATOM 856 CZ PHE A 187 -11.339 -5.626 -1.820 1.00 0.00 C ATOM 0 H PHE A 187 -12.295 -0.947 0.869 1.00 0.00 H new ATOM 0 HA PHE A 187 -12.200 -3.467 2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 187 -9.868 -2.062 1.039 1.00 0.00 H new ATOM 0 HB3 PHE A 187 -9.715 -3.428 2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 187 -10.631 -5.649 1.508 1.00 0.00 H new ATOM 0 HD2 PHE A 187 -10.834 -2.320 -1.193 1.00 0.00 H new ATOM 0 HE1 PHE A 187 -11.192 -7.194 -0.348 1.00 0.00 H new ATOM 0 HE2 PHE A 187 -11.412 -3.855 -3.048 1.00 0.00 H new ATOM 0 HZ PHE A 187 -11.587 -6.297 -2.629 1.00 0.00 H new ATOM 866 N THR A 188 -11.597 -2.213 4.477 1.00 0.00 N ATOM 867 CA THR A 188 -11.412 -1.437 5.705 1.00 0.00 C ATOM 868 C THR A 188 -9.948 -1.036 5.886 1.00 0.00 C ATOM 869 O THR A 188 -9.640 -0.128 6.659 1.00 0.00 O ATOM 870 CB THR A 188 -11.883 -2.234 6.951 1.00 0.00 C ATOM 871 OG1 THR A 188 -10.755 -2.667 7.700 1.00 0.00 O ATOM 872 CG2 THR A 188 -12.703 -3.460 6.534 1.00 0.00 C ATOM 0 H THR A 188 -11.846 -3.191 4.627 1.00 0.00 H new ATOM 0 HA THR A 188 -12.020 -0.537 5.610 1.00 0.00 H new ATOM 0 HB THR A 188 -12.506 -1.578 7.559 1.00 0.00 H new ATOM 0 HG1 THR A 188 -11.057 -3.168 8.486 1.00 0.00 H new ATOM 0 HG21 THR A 188 -13.023 -4.004 7.423 1.00 0.00 H new ATOM 0 HG22 THR A 188 -13.579 -3.138 5.971 1.00 0.00 H new ATOM 0 HG23 THR A 188 -12.091 -4.112 5.911 1.00 0.00 H new ATOM 880 N GLY A 189 -9.052 -1.719 5.186 1.00 0.00 N ATOM 881 CA GLY A 189 -7.630 -1.424 5.299 1.00 0.00 C ATOM 882 C GLY A 189 -6.850 -2.029 4.143 1.00 0.00 C ATOM 883 O GLY A 189 -7.349 -2.911 3.441 1.00 0.00 O ATOM 0 H GLY A 189 -9.281 -2.474 4.540 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -7.480 -0.345 5.317 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -7.249 -1.815 6.242 1.00 0.00 H new ATOM 887 N VAL A 190 -5.622 -1.551 3.940 1.00 0.00 N ATOM 888 CA VAL A 190 -4.786 -2.061 2.852 1.00 0.00 C ATOM 889 C VAL A 190 -3.316 -2.153 3.256 1.00 0.00 C ATOM 890 O VAL A 190 -2.805 -1.305 3.989 1.00 0.00 O ATOM 891 CB VAL A 190 -4.937 -1.152 1.617 1.00 0.00 C ATOM 892 CG1 VAL A 190 -4.493 0.275 1.969 1.00 0.00 C ATOM 893 CG2 VAL A 190 -4.088 -1.687 0.432 1.00 0.00 C ATOM 0 H VAL A 190 -5.188 -0.821 4.506 1.00 0.00 H new ATOM 0 HA VAL A 190 -5.123 -3.070 2.615 1.00 0.00 H new ATOM 0 HB VAL A 190 -5.985 -1.146 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 190 -4.601 0.916 1.094 1.00 0.00 H new ATOM 0 HG12 VAL A 190 -5.113 0.660 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 190 -3.450 0.264 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 190 -4.210 -1.030 -0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 190 -3.037 -1.715 0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 190 -4.420 -2.692 0.171 1.00 0.00 H new ATOM 903 N GLU A 191 -2.640 -3.188 2.755 1.00 0.00 N ATOM 904 CA GLU A 191 -1.218 -3.401 3.039 1.00 0.00 C ATOM 905 C GLU A 191 -0.393 -3.188 1.775 1.00 0.00 C ATOM 906 O GLU A 191 -0.804 -3.583 0.685 1.00 0.00 O ATOM 907 CB GLU A 191 -1.001 -4.820 3.587 1.00 0.00 C ATOM 908 CG GLU A 191 -1.255 -5.885 2.510 1.00 0.00 C ATOM 909 CD GLU A 191 -0.959 -7.268 3.079 1.00 0.00 C ATOM 910 OE1 GLU A 191 -0.091 -7.365 3.932 1.00 0.00 O ATOM 911 OE2 GLU A 191 -1.606 -8.213 2.655 1.00 0.00 O ATOM 0 H GLU A 191 -3.055 -3.895 2.148 1.00 0.00 H new ATOM 0 HA GLU A 191 -0.893 -2.681 3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 191 0.019 -4.915 3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 191 -1.667 -4.990 4.433 1.00 0.00 H new ATOM 0 HG2 GLU A 191 -2.290 -5.834 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 191 -0.625 -5.696 1.641 1.00 0.00 H new ATOM 918 N PHE A 192 0.773 -2.567 1.925 1.00 0.00 N ATOM 919 CA PHE A 192 1.646 -2.319 0.778 1.00 0.00 C ATOM 920 C PHE A 192 3.102 -2.232 1.210 1.00 0.00 C ATOM 921 O PHE A 192 3.414 -1.758 2.302 1.00 0.00 O ATOM 922 CB PHE A 192 1.242 -1.029 0.057 1.00 0.00 C ATOM 923 CG PHE A 192 1.125 0.120 1.034 1.00 0.00 C ATOM 924 CD1 PHE A 192 0.045 0.178 1.924 1.00 0.00 C ATOM 925 CD2 PHE A 192 2.087 1.142 1.034 1.00 0.00 C ATOM 926 CE1 PHE A 192 -0.072 1.251 2.816 1.00 0.00 C ATOM 927 CE2 PHE A 192 1.967 2.215 1.924 1.00 0.00 C ATOM 928 CZ PHE A 192 0.889 2.268 2.815 1.00 0.00 C ATOM 0 H PHE A 192 1.134 -2.229 2.817 1.00 0.00 H new ATOM 0 HA PHE A 192 1.535 -3.158 0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 192 1.981 -0.788 -0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 192 0.290 -1.176 -0.454 1.00 0.00 H new ATOM 0 HD1 PHE A 192 -0.698 -0.606 1.922 1.00 0.00 H new ATOM 0 HD2 PHE A 192 2.920 1.100 0.347 1.00 0.00 H new ATOM 0 HE1 PHE A 192 -0.903 1.294 3.504 1.00 0.00 H new ATOM 0 HE2 PHE A 192 2.706 3.002 1.923 1.00 0.00 H new ATOM 0 HZ PHE A 192 0.799 3.095 3.503 1.00 0.00 H new ATOM 938 N VAL A 193 3.993 -2.702 0.337 1.00 0.00 N ATOM 939 CA VAL A 193 5.431 -2.685 0.624 1.00 0.00 C ATOM 940 C VAL A 193 6.106 -1.521 -0.090 1.00 0.00 C ATOM 941 O VAL A 193 5.675 -1.102 -1.164 1.00 0.00 O ATOM 942 CB VAL A 193 6.075 -3.997 0.164 1.00 0.00 C ATOM 943 CG1 VAL A 193 7.595 -3.926 0.355 1.00 0.00 C ATOM 944 CG2 VAL A 193 5.515 -5.157 0.990 1.00 0.00 C ATOM 0 H VAL A 193 3.748 -3.098 -0.571 1.00 0.00 H new ATOM 0 HA VAL A 193 5.562 -2.569 1.700 1.00 0.00 H new ATOM 0 HB VAL A 193 5.851 -4.155 -0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 193 8.047 -4.862 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 193 7.998 -3.102 -0.234 1.00 0.00 H new ATOM 0 HG13 VAL A 193 7.822 -3.764 1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 193 5.973 -6.091 0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 193 5.737 -4.993 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 193 4.435 -5.214 0.852 1.00 0.00 H new ATOM 954 N CYS A 194 7.176 -1.007 0.515 1.00 0.00 N ATOM 955 CA CYS A 194 7.928 0.110 -0.062 1.00 0.00 C ATOM 956 C CYS A 194 9.365 -0.314 -0.347 1.00 0.00 C ATOM 957 O CYS A 194 9.898 -1.205 0.312 1.00 0.00 O ATOM 958 CB CYS A 194 7.932 1.294 0.907 1.00 0.00 C ATOM 959 SG CYS A 194 6.306 2.086 0.898 1.00 0.00 S ATOM 0 H CYS A 194 7.543 -1.345 1.405 1.00 0.00 H new ATOM 0 HA CYS A 194 7.449 0.406 -0.995 1.00 0.00 H new ATOM 0 HB2 CYS A 194 8.177 0.953 1.913 1.00 0.00 H new ATOM 0 HB3 CYS A 194 8.700 2.012 0.618 1.00 0.00 H new ATOM 964 N CYS A 195 9.993 0.332 -1.332 1.00 0.00 N ATOM 965 CA CYS A 195 11.377 0.010 -1.693 1.00 0.00 C ATOM 966 C CYS A 195 12.154 1.290 -2.047 1.00 0.00 C ATOM 967 O CYS A 195 11.581 2.224 -2.605 1.00 0.00 O ATOM 968 CB CYS A 195 11.379 -0.953 -2.883 1.00 0.00 C ATOM 969 SG CYS A 195 10.998 -2.625 -2.296 1.00 0.00 S ATOM 0 H CYS A 195 9.571 1.074 -1.890 1.00 0.00 H new ATOM 0 HA CYS A 195 11.867 -0.463 -0.842 1.00 0.00 H new ATOM 0 HB2 CYS A 195 10.643 -0.638 -3.623 1.00 0.00 H new ATOM 0 HB3 CYS A 195 12.351 -0.940 -3.375 1.00 0.00 H new ATOM 974 N PRO A 196 13.435 1.362 -1.731 1.00 0.00 N ATOM 975 CA PRO A 196 14.268 2.572 -2.027 1.00 0.00 C ATOM 976 C PRO A 196 14.646 2.677 -3.504 1.00 0.00 C ATOM 977 O PRO A 196 15.439 3.536 -3.891 1.00 0.00 O ATOM 978 CB PRO A 196 15.512 2.358 -1.157 1.00 0.00 C ATOM 979 CG PRO A 196 15.662 0.875 -1.091 1.00 0.00 C ATOM 980 CD PRO A 196 14.236 0.315 -1.061 1.00 0.00 C ATOM 0 HA PRO A 196 13.737 3.500 -1.814 1.00 0.00 H new ATOM 0 HB2 PRO A 196 16.391 2.828 -1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 196 15.383 2.790 -0.165 1.00 0.00 H new ATOM 0 HG2 PRO A 196 16.212 0.498 -1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 196 16.219 0.577 -0.202 1.00 0.00 H new ATOM 0 HD2 PRO A 196 14.169 -0.638 -1.586 1.00 0.00 H new ATOM 0 HD3 PRO A 196 13.895 0.142 -0.040 1.00 0.00 H new ATOM 988 N ASN A 197 14.078 1.803 -4.323 1.00 0.00 N ATOM 989 CA ASN A 197 14.366 1.814 -5.751 1.00 0.00 C ATOM 990 C ASN A 197 14.282 3.236 -6.301 1.00 0.00 C ATOM 991 O ASN A 197 13.627 4.053 -5.675 1.00 0.00 O ATOM 992 CB ASN A 197 13.367 0.912 -6.484 1.00 0.00 C ATOM 993 CG ASN A 197 13.755 -0.553 -6.327 1.00 0.00 C ATOM 994 OD1 ASN A 197 14.863 -0.864 -5.891 1.00 0.00 O ATOM 995 ND2 ASN A 197 12.898 -1.478 -6.661 1.00 0.00 N ATOM 996 OXT ASN A 197 14.873 3.486 -7.339 1.00 0.00 O ATOM 0 H ASN A 197 13.420 1.082 -4.027 1.00 0.00 H new ATOM 0 HA ASN A 197 15.377 1.439 -5.909 1.00 0.00 H new ATOM 0 HB2 ASN A 197 12.364 1.073 -6.088 1.00 0.00 H new ATOM 0 HB3 ASN A 197 13.338 1.175 -7.541 1.00 0.00 H new ATOM 0 HD21 ASN A 197 13.145 -2.462 -6.561 1.00 0.00 H new ATOM 0 HD22 ASN A 197 11.980 -1.217 -7.022 1.00 0.00 H new TER 1003 ASN A 197