USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 730 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 70 HIS : no HD1:sc= -0.412 K(o=-0.41,f=0.097) USER MOD Set 1.2: A 90 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= -0.224 K(o=-0.51,f=-1.7!) USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= -0.282 USER MOD Set 3.1: A 20 TYR OH : rot -46:sc= 0.297 USER MOD Set 3.2: A 21 MET CE :methyl 146:sc= -0.862 (180deg=-2.24!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.182 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -110:sc= -1.01 (180deg=-3.19) USER MOD Single : A 11 SER OG : rot 180:sc= -0.223 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot -63:sc= 0.933 USER MOD Single : A 32 THR OG1 : rot 95:sc= 1.05 USER MOD Single : A 33 MET CE :methyl -169:sc= -0.846 (180deg=-1.2) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.326 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.912 USER MOD Single : A 55 CYS SG : rot 80:sc= -1.03 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= -0.237 (180deg=-0.645) USER MOD Single : A 73 ASN : amide:sc= -1.06! C(o=-1.1!,f=-1.6!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -170:sc= -1.72! (180deg=-1.83!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -1.46 K(o=-1.5,f=-4.5!) USER MOD Single : A 92 THR OG1 : rot -48:sc= 0.406 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0485 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.423 20.124 -23.755 1.00 0.00 N ATOM 2 CA GLY A 1 11.169 19.139 -22.720 1.00 0.00 C ATOM 3 C GLY A 1 12.347 18.964 -21.783 1.00 0.00 C ATOM 4 O GLY A 1 13.453 18.641 -22.218 1.00 0.00 O ATOM 0 H1 GLY A 1 10.587 20.206 -24.369 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.622 21.046 -23.316 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.242 19.827 -24.323 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.293 19.439 -22.145 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.933 18.182 -23.184 1.00 0.00 H new ATOM 8 N SER A 2 12.112 19.180 -20.493 1.00 0.00 N ATOM 9 CA SER A 2 13.165 19.051 -19.492 1.00 0.00 C ATOM 10 C SER A 2 12.862 17.905 -18.531 1.00 0.00 C ATOM 11 O SER A 2 13.045 18.032 -17.320 1.00 0.00 O ATOM 12 CB SER A 2 13.321 20.358 -18.713 1.00 0.00 C ATOM 13 OG SER A 2 13.511 21.455 -19.591 1.00 0.00 O ATOM 0 H SER A 2 11.202 19.445 -20.116 1.00 0.00 H new ATOM 0 HA SER A 2 14.099 18.832 -20.009 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.436 20.528 -18.100 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.170 20.281 -18.033 1.00 0.00 H new ATOM 0 HG SER A 2 13.606 22.279 -19.069 1.00 0.00 H new ATOM 19 N SER A 3 12.398 16.787 -19.079 1.00 0.00 N ATOM 20 CA SER A 3 12.066 15.620 -18.271 1.00 0.00 C ATOM 21 C SER A 3 12.395 14.331 -19.017 1.00 0.00 C ATOM 22 O SER A 3 12.641 14.343 -20.223 1.00 0.00 O ATOM 23 CB SER A 3 10.583 15.640 -17.894 1.00 0.00 C ATOM 24 OG SER A 3 10.251 14.534 -17.073 1.00 0.00 O ATOM 0 H SER A 3 12.243 16.665 -20.080 1.00 0.00 H new ATOM 0 HA SER A 3 12.666 15.656 -17.362 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.350 16.568 -17.372 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.974 15.622 -18.798 1.00 0.00 H new ATOM 0 HG SER A 3 9.299 14.570 -16.844 1.00 0.00 H new ATOM 30 N GLY A 4 12.398 13.218 -18.290 1.00 0.00 N ATOM 31 CA GLY A 4 12.698 11.935 -18.899 1.00 0.00 C ATOM 32 C GLY A 4 12.445 10.773 -17.958 1.00 0.00 C ATOM 33 O GLY A 4 12.485 10.934 -16.738 1.00 0.00 O ATOM 0 H GLY A 4 12.198 13.182 -17.290 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.091 11.811 -19.796 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.741 11.922 -19.216 1.00 0.00 H new ATOM 37 N SER A 5 12.182 9.601 -18.526 1.00 0.00 N ATOM 38 CA SER A 5 11.916 8.408 -17.730 1.00 0.00 C ATOM 39 C SER A 5 13.211 7.666 -17.412 1.00 0.00 C ATOM 40 O SER A 5 14.106 7.572 -18.252 1.00 0.00 O ATOM 41 CB SER A 5 10.951 7.480 -18.470 1.00 0.00 C ATOM 42 OG SER A 5 9.627 7.983 -18.428 1.00 0.00 O ATOM 0 H SER A 5 12.147 9.452 -19.534 1.00 0.00 H new ATOM 0 HA SER A 5 11.459 8.722 -16.792 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.269 7.371 -19.507 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.981 6.487 -18.022 1.00 0.00 H new ATOM 0 HG SER A 5 9.030 7.373 -18.909 1.00 0.00 H new ATOM 48 N SER A 6 13.302 7.141 -16.195 1.00 0.00 N ATOM 49 CA SER A 6 14.488 6.411 -15.764 1.00 0.00 C ATOM 50 C SER A 6 14.329 4.916 -16.023 1.00 0.00 C ATOM 51 O SER A 6 15.112 4.315 -16.757 1.00 0.00 O ATOM 52 CB SER A 6 14.752 6.656 -14.277 1.00 0.00 C ATOM 53 OG SER A 6 16.119 6.456 -13.962 1.00 0.00 O ATOM 0 H SER A 6 12.568 7.208 -15.490 1.00 0.00 H new ATOM 0 HA SER A 6 15.338 6.775 -16.342 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.460 7.673 -14.015 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.136 5.984 -13.680 1.00 0.00 H new ATOM 0 HG SER A 6 16.262 6.620 -13.007 1.00 0.00 H new ATOM 59 N GLY A 7 13.307 4.321 -15.414 1.00 0.00 N ATOM 60 CA GLY A 7 13.063 2.901 -15.590 1.00 0.00 C ATOM 61 C GLY A 7 11.640 2.510 -15.244 1.00 0.00 C ATOM 62 O GLY A 7 10.814 2.299 -16.131 1.00 0.00 O ATOM 0 H GLY A 7 12.644 4.797 -14.802 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.271 2.625 -16.624 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.754 2.336 -14.964 1.00 0.00 H new ATOM 66 N MET A 8 11.353 2.413 -13.950 1.00 0.00 N ATOM 67 CA MET A 8 10.020 2.044 -13.489 1.00 0.00 C ATOM 68 C MET A 8 9.101 3.261 -13.451 1.00 0.00 C ATOM 69 O MET A 8 9.063 3.991 -12.461 1.00 0.00 O ATOM 70 CB MET A 8 10.096 1.405 -12.101 1.00 0.00 C ATOM 71 CG MET A 8 11.006 0.189 -12.040 1.00 0.00 C ATOM 72 SD MET A 8 10.516 -0.983 -10.760 1.00 0.00 S ATOM 73 CE MET A 8 10.892 -2.539 -11.564 1.00 0.00 C ATOM 0 H MET A 8 12.025 2.585 -13.203 1.00 0.00 H new ATOM 0 HA MET A 8 9.607 1.321 -14.192 1.00 0.00 H new ATOM 0 HB2 MET A 8 10.449 2.149 -11.387 1.00 0.00 H new ATOM 0 HB3 MET A 8 9.093 1.114 -11.789 1.00 0.00 H new ATOM 0 HG2 MET A 8 11.001 -0.313 -13.008 1.00 0.00 H new ATOM 0 HG3 MET A 8 12.030 0.515 -11.856 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.964 -3.055 -11.809 1.00 0.00 H new ATOM 0 HE2 MET A 8 11.454 -2.350 -12.478 1.00 0.00 H new ATOM 0 HE3 MET A 8 11.487 -3.160 -10.894 1.00 0.00 H new ATOM 83 N ALA A 9 8.364 3.474 -14.536 1.00 0.00 N ATOM 84 CA ALA A 9 7.445 4.602 -14.626 1.00 0.00 C ATOM 85 C ALA A 9 5.994 4.133 -14.582 1.00 0.00 C ATOM 86 O ALA A 9 5.218 4.565 -13.730 1.00 0.00 O ATOM 87 CB ALA A 9 7.706 5.396 -15.897 1.00 0.00 C ATOM 0 H ALA A 9 8.385 2.880 -15.365 1.00 0.00 H new ATOM 0 HA ALA A 9 7.617 5.248 -13.765 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.012 6.235 -15.951 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.729 5.771 -15.888 1.00 0.00 H new ATOM 0 HB3 ALA A 9 7.564 4.751 -16.764 1.00 0.00 H new ATOM 93 N ALA A 10 5.635 3.247 -15.505 1.00 0.00 N ATOM 94 CA ALA A 10 4.278 2.719 -15.570 1.00 0.00 C ATOM 95 C ALA A 10 4.121 1.498 -14.670 1.00 0.00 C ATOM 96 O ALA A 10 3.217 0.685 -14.863 1.00 0.00 O ATOM 97 CB ALA A 10 3.916 2.369 -17.006 1.00 0.00 C ATOM 0 H ALA A 10 6.265 2.880 -16.218 1.00 0.00 H new ATOM 0 HA ALA A 10 3.596 3.491 -15.213 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.900 1.976 -17.040 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.980 3.263 -17.626 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.609 1.617 -17.383 1.00 0.00 H new ATOM 103 N SER A 11 5.006 1.375 -13.687 1.00 0.00 N ATOM 104 CA SER A 11 4.968 0.250 -12.759 1.00 0.00 C ATOM 105 C SER A 11 4.588 0.715 -11.357 1.00 0.00 C ATOM 106 O SER A 11 4.624 1.908 -11.055 1.00 0.00 O ATOM 107 CB SER A 11 6.325 -0.456 -12.725 1.00 0.00 C ATOM 108 OG SER A 11 6.635 -1.027 -13.984 1.00 0.00 O ATOM 0 H SER A 11 5.759 2.041 -13.512 1.00 0.00 H new ATOM 0 HA SER A 11 4.210 -0.452 -13.108 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.101 0.255 -12.444 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.314 -1.234 -11.962 1.00 0.00 H new ATOM 0 HG SER A 11 7.508 -1.471 -13.936 1.00 0.00 H new ATOM 114 N LEU A 12 4.223 -0.236 -10.504 1.00 0.00 N ATOM 115 CA LEU A 12 3.836 0.074 -9.132 1.00 0.00 C ATOM 116 C LEU A 12 4.584 -0.812 -8.141 1.00 0.00 C ATOM 117 O LEU A 12 5.040 -1.901 -8.489 1.00 0.00 O ATOM 118 CB LEU A 12 2.327 -0.105 -8.955 1.00 0.00 C ATOM 119 CG LEU A 12 1.439 0.751 -9.859 1.00 0.00 C ATOM 120 CD1 LEU A 12 0.123 0.042 -10.139 1.00 0.00 C ATOM 121 CD2 LEU A 12 1.190 2.112 -9.227 1.00 0.00 C ATOM 0 H LEU A 12 4.187 -1.228 -10.738 1.00 0.00 H new ATOM 0 HA LEU A 12 4.099 1.113 -8.932 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.083 -1.153 -9.127 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.074 0.115 -7.918 1.00 0.00 H new ATOM 0 HG LEU A 12 1.956 0.902 -10.807 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.496 0.666 -10.784 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.320 -0.909 -10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.399 -0.140 -9.200 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.556 2.708 -9.884 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.694 1.981 -8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.141 2.624 -9.078 1.00 0.00 H new ATOM 133 N TRP A 13 4.706 -0.338 -6.907 1.00 0.00 N ATOM 134 CA TRP A 13 5.397 -1.088 -5.865 1.00 0.00 C ATOM 135 C TRP A 13 4.409 -1.890 -5.024 1.00 0.00 C ATOM 136 O TRP A 13 3.355 -1.385 -4.640 1.00 0.00 O ATOM 137 CB TRP A 13 6.196 -0.139 -4.969 1.00 0.00 C ATOM 138 CG TRP A 13 6.579 -0.747 -3.654 1.00 0.00 C ATOM 139 CD1 TRP A 13 7.791 -1.283 -3.321 1.00 0.00 C ATOM 140 CD2 TRP A 13 5.747 -0.881 -2.496 1.00 0.00 C ATOM 141 NE1 TRP A 13 7.761 -1.743 -2.026 1.00 0.00 N ATOM 142 CE2 TRP A 13 6.520 -1.507 -1.498 1.00 0.00 C ATOM 143 CE3 TRP A 13 4.426 -0.531 -2.205 1.00 0.00 C ATOM 144 CZ2 TRP A 13 6.012 -1.791 -0.233 1.00 0.00 C ATOM 145 CZ3 TRP A 13 3.924 -0.814 -0.949 1.00 0.00 C ATOM 146 CH2 TRP A 13 4.715 -1.438 0.024 1.00 0.00 C ATOM 0 H TRP A 13 4.335 0.562 -6.603 1.00 0.00 H new ATOM 0 HA TRP A 13 6.083 -1.784 -6.348 1.00 0.00 H new ATOM 0 HB2 TRP A 13 7.099 0.172 -5.495 1.00 0.00 H new ATOM 0 HB3 TRP A 13 5.607 0.760 -4.788 1.00 0.00 H new ATOM 0 HD1 TRP A 13 8.646 -1.337 -3.978 1.00 0.00 H new ATOM 0 HE1 TRP A 13 8.538 -2.188 -1.537 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.809 -0.048 -2.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 6.620 -2.273 0.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.904 -0.549 -0.713 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.293 -1.645 0.996 1.00 0.00 H new ATOM 157 N MET A 14 4.758 -3.141 -4.742 1.00 0.00 N ATOM 158 CA MET A 14 3.901 -4.011 -3.945 1.00 0.00 C ATOM 159 C MET A 14 4.713 -4.758 -2.893 1.00 0.00 C ATOM 160 O MET A 14 5.351 -5.768 -3.188 1.00 0.00 O ATOM 161 CB MET A 14 3.172 -5.009 -4.847 1.00 0.00 C ATOM 162 CG MET A 14 2.275 -5.973 -4.087 1.00 0.00 C ATOM 163 SD MET A 14 1.629 -7.292 -5.132 1.00 0.00 S ATOM 164 CE MET A 14 0.061 -7.622 -4.331 1.00 0.00 C ATOM 0 H MET A 14 5.627 -3.575 -5.053 1.00 0.00 H new ATOM 0 HA MET A 14 3.166 -3.388 -3.436 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.570 -4.460 -5.571 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.908 -5.580 -5.413 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.836 -6.411 -3.261 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.443 -5.421 -3.650 1.00 0.00 H new ATOM 0 HE1 MET A 14 -0.459 -8.418 -4.864 1.00 0.00 H new ATOM 0 HE2 MET A 14 0.237 -7.929 -3.300 1.00 0.00 H new ATOM 0 HE3 MET A 14 -0.550 -6.719 -4.341 1.00 0.00 H new ATOM 174 N GLY A 15 4.685 -4.255 -1.662 1.00 0.00 N ATOM 175 CA GLY A 15 5.424 -4.887 -0.585 1.00 0.00 C ATOM 176 C GLY A 15 4.543 -5.761 0.286 1.00 0.00 C ATOM 177 O GLY A 15 3.481 -6.209 -0.145 1.00 0.00 O ATOM 0 H GLY A 15 4.164 -3.421 -1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.228 -5.491 -1.005 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.891 -4.119 0.031 1.00 0.00 H new ATOM 181 N ASP A 16 4.987 -6.007 1.514 1.00 0.00 N ATOM 182 CA ASP A 16 4.232 -6.834 2.448 1.00 0.00 C ATOM 183 C ASP A 16 3.841 -8.161 1.806 1.00 0.00 C ATOM 184 O ASP A 16 2.722 -8.643 1.983 1.00 0.00 O ATOM 185 CB ASP A 16 2.979 -6.094 2.921 1.00 0.00 C ATOM 186 CG ASP A 16 3.264 -5.152 4.074 1.00 0.00 C ATOM 187 OD1 ASP A 16 3.297 -5.623 5.230 1.00 0.00 O ATOM 188 OD2 ASP A 16 3.452 -3.943 3.821 1.00 0.00 O ATOM 0 H ASP A 16 5.866 -5.646 1.885 1.00 0.00 H new ATOM 0 HA ASP A 16 4.869 -7.040 3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.559 -5.529 2.089 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.225 -6.820 3.226 1.00 0.00 H new ATOM 193 N LEU A 17 4.771 -8.747 1.059 1.00 0.00 N ATOM 194 CA LEU A 17 4.524 -10.019 0.389 1.00 0.00 C ATOM 195 C LEU A 17 5.021 -11.186 1.236 1.00 0.00 C ATOM 196 O LEU A 17 5.725 -10.991 2.226 1.00 0.00 O ATOM 197 CB LEU A 17 5.210 -10.039 -0.978 1.00 0.00 C ATOM 198 CG LEU A 17 4.871 -8.879 -1.916 1.00 0.00 C ATOM 199 CD1 LEU A 17 5.555 -9.063 -3.262 1.00 0.00 C ATOM 200 CD2 LEU A 17 3.364 -8.758 -2.092 1.00 0.00 C ATOM 0 H LEU A 17 5.702 -8.362 0.902 1.00 0.00 H new ATOM 0 HA LEU A 17 3.448 -10.126 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.289 -10.050 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.951 -10.972 -1.478 1.00 0.00 H new ATOM 0 HG LEU A 17 5.239 -7.956 -1.469 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.302 -8.228 -3.916 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.635 -9.098 -3.119 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.219 -9.995 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.141 -7.928 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.972 -9.682 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.898 -8.577 -1.123 1.00 0.00 H new ATOM 212 N GLU A 18 4.651 -12.399 0.838 1.00 0.00 N ATOM 213 CA GLU A 18 5.060 -13.598 1.561 1.00 0.00 C ATOM 214 C GLU A 18 6.141 -14.354 0.793 1.00 0.00 C ATOM 215 O GLU A 18 6.294 -14.207 -0.420 1.00 0.00 O ATOM 216 CB GLU A 18 3.857 -14.511 1.802 1.00 0.00 C ATOM 217 CG GLU A 18 3.025 -14.116 3.010 1.00 0.00 C ATOM 218 CD GLU A 18 3.608 -14.627 4.313 1.00 0.00 C ATOM 219 OE1 GLU A 18 3.469 -15.837 4.590 1.00 0.00 O ATOM 220 OE2 GLU A 18 4.202 -13.819 5.056 1.00 0.00 O ATOM 0 H GLU A 18 4.069 -12.578 0.019 1.00 0.00 H new ATOM 0 HA GLU A 18 5.470 -13.289 2.522 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.222 -14.503 0.916 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.209 -15.534 1.933 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.947 -13.030 3.053 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.013 -14.504 2.892 1.00 0.00 H new ATOM 227 N PRO A 19 6.909 -15.183 1.515 1.00 0.00 N ATOM 228 CA PRO A 19 7.989 -15.978 0.923 1.00 0.00 C ATOM 229 C PRO A 19 7.463 -17.092 0.024 1.00 0.00 C ATOM 230 O PRO A 19 8.231 -17.759 -0.669 1.00 0.00 O ATOM 231 CB PRO A 19 8.704 -16.568 2.142 1.00 0.00 C ATOM 232 CG PRO A 19 7.667 -16.598 3.211 1.00 0.00 C ATOM 233 CD PRO A 19 6.783 -15.407 2.965 1.00 0.00 C ATOM 0 HA PRO A 19 8.634 -15.376 0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.085 -17.567 1.932 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.557 -15.956 2.435 1.00 0.00 H new ATOM 0 HG2 PRO A 19 7.093 -17.524 3.172 1.00 0.00 H new ATOM 0 HG3 PRO A 19 8.124 -16.547 4.199 1.00 0.00 H new ATOM 0 HD2 PRO A 19 5.751 -15.606 3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.111 -14.538 3.536 1.00 0.00 H new ATOM 241 N TYR A 20 6.149 -17.286 0.039 1.00 0.00 N ATOM 242 CA TYR A 20 5.520 -18.321 -0.774 1.00 0.00 C ATOM 243 C TYR A 20 4.856 -17.716 -2.007 1.00 0.00 C ATOM 244 O TYR A 20 4.510 -18.426 -2.950 1.00 0.00 O ATOM 245 CB TYR A 20 4.486 -19.089 0.051 1.00 0.00 C ATOM 246 CG TYR A 20 3.117 -18.447 0.054 1.00 0.00 C ATOM 247 CD1 TYR A 20 2.202 -18.711 -0.958 1.00 0.00 C ATOM 248 CD2 TYR A 20 2.737 -17.579 1.070 1.00 0.00 C ATOM 249 CE1 TYR A 20 0.950 -18.126 -0.959 1.00 0.00 C ATOM 250 CE2 TYR A 20 1.487 -16.991 1.078 1.00 0.00 C ATOM 251 CZ TYR A 20 0.598 -17.267 0.061 1.00 0.00 C ATOM 252 OH TYR A 20 -0.649 -16.684 0.064 1.00 0.00 O ATOM 0 H TYR A 20 5.499 -16.741 0.605 1.00 0.00 H new ATOM 0 HA TYR A 20 6.297 -19.011 -1.104 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.402 -20.103 -0.340 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.842 -19.172 1.078 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.474 -19.385 -1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.431 -17.360 1.868 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.251 -18.340 -1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.208 -16.319 1.876 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.849 -16.335 -0.830 1.00 0.00 H new ATOM 262 N MET A 21 4.684 -16.398 -1.992 1.00 0.00 N ATOM 263 CA MET A 21 4.063 -15.696 -3.109 1.00 0.00 C ATOM 264 C MET A 21 5.041 -15.552 -4.271 1.00 0.00 C ATOM 265 O MET A 21 6.176 -15.112 -4.088 1.00 0.00 O ATOM 266 CB MET A 21 3.575 -14.316 -2.664 1.00 0.00 C ATOM 267 CG MET A 21 2.229 -14.347 -1.958 1.00 0.00 C ATOM 268 SD MET A 21 1.393 -12.750 -1.987 1.00 0.00 S ATOM 269 CE MET A 21 0.332 -12.897 -0.551 1.00 0.00 C ATOM 0 H MET A 21 4.966 -15.795 -1.219 1.00 0.00 H new ATOM 0 HA MET A 21 3.209 -16.284 -3.446 1.00 0.00 H new ATOM 0 HB2 MET A 21 4.316 -13.875 -1.997 1.00 0.00 H new ATOM 0 HB3 MET A 21 3.504 -13.666 -3.536 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.592 -15.095 -2.431 1.00 0.00 H new ATOM 0 HG3 MET A 21 2.373 -14.659 -0.923 1.00 0.00 H new ATOM 0 HE1 MET A 21 0.226 -11.922 -0.076 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.649 -13.259 -0.859 1.00 0.00 H new ATOM 0 HE3 MET A 21 0.772 -13.600 0.156 1.00 0.00 H new ATOM 279 N ASP A 22 4.594 -15.926 -5.464 1.00 0.00 N ATOM 280 CA ASP A 22 5.430 -15.837 -6.656 1.00 0.00 C ATOM 281 C ASP A 22 4.715 -15.072 -7.765 1.00 0.00 C ATOM 282 O ASP A 22 3.511 -14.832 -7.690 1.00 0.00 O ATOM 283 CB ASP A 22 5.807 -17.236 -7.146 1.00 0.00 C ATOM 284 CG ASP A 22 5.966 -18.225 -6.008 1.00 0.00 C ATOM 285 OD1 ASP A 22 6.705 -17.914 -5.051 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.350 -19.309 -6.074 1.00 0.00 O ATOM 0 H ASP A 22 3.658 -16.294 -5.632 1.00 0.00 H new ATOM 0 HA ASP A 22 6.339 -15.295 -6.393 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.040 -17.596 -7.832 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.739 -17.182 -7.709 1.00 0.00 H new ATOM 291 N GLU A 23 5.467 -14.690 -8.793 1.00 0.00 N ATOM 292 CA GLU A 23 4.905 -13.949 -9.916 1.00 0.00 C ATOM 293 C GLU A 23 3.508 -14.459 -10.259 1.00 0.00 C ATOM 294 O GLU A 23 2.555 -13.684 -10.337 1.00 0.00 O ATOM 295 CB GLU A 23 5.816 -14.065 -11.140 1.00 0.00 C ATOM 296 CG GLU A 23 7.185 -13.435 -10.942 1.00 0.00 C ATOM 297 CD GLU A 23 8.127 -13.711 -12.097 1.00 0.00 C ATOM 298 OE1 GLU A 23 8.147 -12.905 -13.051 1.00 0.00 O ATOM 299 OE2 GLU A 23 8.843 -14.733 -12.049 1.00 0.00 O ATOM 0 H GLU A 23 6.466 -14.881 -8.871 1.00 0.00 H new ATOM 0 HA GLU A 23 4.830 -12.901 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.943 -15.118 -11.389 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.328 -13.592 -11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 23 7.071 -12.358 -10.821 1.00 0.00 H new ATOM 0 HG3 GLU A 23 7.626 -13.815 -10.020 1.00 0.00 H new ATOM 306 N ASN A 24 3.395 -15.767 -10.464 1.00 0.00 N ATOM 307 CA ASN A 24 2.115 -16.381 -10.800 1.00 0.00 C ATOM 308 C ASN A 24 1.035 -15.964 -9.806 1.00 0.00 C ATOM 309 O ASN A 24 -0.092 -15.654 -10.193 1.00 0.00 O ATOM 310 CB ASN A 24 2.246 -17.905 -10.818 1.00 0.00 C ATOM 311 CG ASN A 24 3.157 -18.394 -11.928 1.00 0.00 C ATOM 312 OD1 ASN A 24 2.762 -18.445 -13.092 1.00 0.00 O ATOM 313 ND2 ASN A 24 4.383 -18.757 -11.570 1.00 0.00 N ATOM 0 H ASN A 24 4.174 -16.423 -10.403 1.00 0.00 H new ATOM 0 HA ASN A 24 1.824 -16.036 -11.792 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.633 -18.245 -9.858 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.259 -18.350 -10.939 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.040 -19.095 -12.273 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.667 -18.698 -10.592 1.00 0.00 H new ATOM 320 N PHE A 25 1.387 -15.958 -8.525 1.00 0.00 N ATOM 321 CA PHE A 25 0.448 -15.579 -7.476 1.00 0.00 C ATOM 322 C PHE A 25 0.077 -14.103 -7.584 1.00 0.00 C ATOM 323 O PHE A 25 -1.100 -13.752 -7.664 1.00 0.00 O ATOM 324 CB PHE A 25 1.048 -15.866 -6.097 1.00 0.00 C ATOM 325 CG PHE A 25 0.084 -15.645 -4.967 1.00 0.00 C ATOM 326 CD1 PHE A 25 -0.082 -14.383 -4.418 1.00 0.00 C ATOM 327 CD2 PHE A 25 -0.654 -16.698 -4.452 1.00 0.00 C ATOM 328 CE1 PHE A 25 -0.969 -14.176 -3.377 1.00 0.00 C ATOM 329 CE2 PHE A 25 -1.542 -16.497 -3.412 1.00 0.00 C ATOM 330 CZ PHE A 25 -1.698 -15.235 -2.873 1.00 0.00 C ATOM 0 H PHE A 25 2.316 -16.211 -8.188 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.457 -16.173 -7.602 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.398 -16.898 -6.069 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.921 -15.230 -5.950 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.488 -13.552 -4.807 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.534 -17.687 -4.868 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.091 -13.188 -2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.113 -17.326 -3.021 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.389 -15.077 -2.058 1.00 0.00 H new ATOM 340 N ILE A 26 1.091 -13.243 -7.585 1.00 0.00 N ATOM 341 CA ILE A 26 0.872 -11.806 -7.684 1.00 0.00 C ATOM 342 C ILE A 26 -0.008 -11.465 -8.882 1.00 0.00 C ATOM 343 O ILE A 26 -0.894 -10.615 -8.792 1.00 0.00 O ATOM 344 CB ILE A 26 2.203 -11.041 -7.805 1.00 0.00 C ATOM 345 CG1 ILE A 26 3.079 -11.300 -6.578 1.00 0.00 C ATOM 346 CG2 ILE A 26 1.945 -9.551 -7.973 1.00 0.00 C ATOM 347 CD1 ILE A 26 2.459 -10.827 -5.282 1.00 0.00 C ATOM 0 H ILE A 26 2.071 -13.517 -7.518 1.00 0.00 H new ATOM 0 HA ILE A 26 0.368 -11.500 -6.767 1.00 0.00 H new ATOM 0 HB ILE A 26 2.732 -11.400 -8.688 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.282 -12.369 -6.506 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.039 -10.802 -6.715 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.896 -9.024 -8.057 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.356 -9.383 -8.875 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.398 -9.177 -7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.135 -11.043 -4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.281 -9.753 -5.334 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.513 -11.344 -5.121 1.00 0.00 H new ATOM 359 N SER A 27 0.241 -12.135 -10.003 1.00 0.00 N ATOM 360 CA SER A 27 -0.527 -11.902 -11.220 1.00 0.00 C ATOM 361 C SER A 27 -1.998 -12.250 -11.009 1.00 0.00 C ATOM 362 O SER A 27 -2.888 -11.539 -11.475 1.00 0.00 O ATOM 363 CB SER A 27 0.044 -12.727 -12.375 1.00 0.00 C ATOM 364 OG SER A 27 -0.550 -14.013 -12.425 1.00 0.00 O ATOM 0 H SER A 27 0.969 -12.844 -10.093 1.00 0.00 H new ATOM 0 HA SER A 27 -0.454 -10.843 -11.469 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.127 -12.207 -13.317 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.123 -12.826 -12.257 1.00 0.00 H new ATOM 0 HG SER A 27 -0.332 -14.506 -11.606 1.00 0.00 H new ATOM 370 N ARG A 28 -2.243 -13.350 -10.304 1.00 0.00 N ATOM 371 CA ARG A 28 -3.605 -13.795 -10.032 1.00 0.00 C ATOM 372 C ARG A 28 -4.334 -12.797 -9.137 1.00 0.00 C ATOM 373 O ARG A 28 -5.520 -12.528 -9.328 1.00 0.00 O ATOM 374 CB ARG A 28 -3.591 -15.174 -9.370 1.00 0.00 C ATOM 375 CG ARG A 28 -3.583 -16.325 -10.362 1.00 0.00 C ATOM 376 CD ARG A 28 -3.182 -17.632 -9.696 1.00 0.00 C ATOM 377 NE ARG A 28 -3.739 -18.792 -10.387 1.00 0.00 N ATOM 378 CZ ARG A 28 -3.684 -20.030 -9.907 1.00 0.00 C ATOM 379 NH1 ARG A 28 -3.100 -20.266 -8.740 1.00 0.00 N ATOM 380 NH2 ARG A 28 -4.214 -21.033 -10.594 1.00 0.00 N ATOM 0 H ARG A 28 -1.517 -13.949 -9.911 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.136 -13.861 -10.982 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.712 -15.251 -8.729 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.465 -15.267 -8.725 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.573 -16.431 -10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.891 -16.102 -11.174 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -2.095 -17.710 -9.676 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.521 -17.630 -8.660 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.195 -18.644 -11.287 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.692 -19.497 -8.209 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.059 -21.217 -8.373 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.664 -20.855 -11.492 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.171 -21.983 -10.225 1.00 0.00 H new ATOM 394 N ALA A 29 -3.617 -12.251 -8.161 1.00 0.00 N ATOM 395 CA ALA A 29 -4.195 -11.282 -7.238 1.00 0.00 C ATOM 396 C ALA A 29 -4.774 -10.088 -7.988 1.00 0.00 C ATOM 397 O ALA A 29 -5.943 -9.742 -7.817 1.00 0.00 O ATOM 398 CB ALA A 29 -3.150 -10.821 -6.233 1.00 0.00 C ATOM 0 H ALA A 29 -2.634 -12.463 -7.989 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.009 -11.770 -6.701 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.596 -10.098 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.787 -11.679 -5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.318 -10.356 -6.761 1.00 0.00 H new ATOM 404 N PHE A 30 -3.949 -9.460 -8.819 1.00 0.00 N ATOM 405 CA PHE A 30 -4.379 -8.302 -9.594 1.00 0.00 C ATOM 406 C PHE A 30 -5.529 -8.669 -10.527 1.00 0.00 C ATOM 407 O PHE A 30 -6.582 -8.033 -10.511 1.00 0.00 O ATOM 408 CB PHE A 30 -3.208 -7.741 -10.404 1.00 0.00 C ATOM 409 CG PHE A 30 -2.271 -6.892 -9.594 1.00 0.00 C ATOM 410 CD1 PHE A 30 -2.614 -5.594 -9.249 1.00 0.00 C ATOM 411 CD2 PHE A 30 -1.047 -7.391 -9.178 1.00 0.00 C ATOM 412 CE1 PHE A 30 -1.752 -4.811 -8.504 1.00 0.00 C ATOM 413 CE2 PHE A 30 -0.182 -6.612 -8.433 1.00 0.00 C ATOM 414 CZ PHE A 30 -0.535 -5.321 -8.095 1.00 0.00 C ATOM 0 H PHE A 30 -2.979 -9.734 -8.973 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.729 -7.539 -8.898 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.650 -8.569 -10.841 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.599 -7.149 -11.231 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.564 -5.190 -9.565 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.766 -8.401 -9.439 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.030 -3.801 -8.242 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.769 -7.013 -8.116 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.139 -4.711 -7.512 1.00 0.00 H new ATOM 424 N ALA A 31 -5.317 -9.698 -11.340 1.00 0.00 N ATOM 425 CA ALA A 31 -6.336 -10.152 -12.280 1.00 0.00 C ATOM 426 C ALA A 31 -7.661 -10.410 -11.571 1.00 0.00 C ATOM 427 O ALA A 31 -8.710 -9.927 -11.997 1.00 0.00 O ATOM 428 CB ALA A 31 -5.867 -11.407 -13.001 1.00 0.00 C ATOM 0 H ALA A 31 -4.449 -10.233 -11.367 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.495 -9.363 -13.015 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.637 -11.735 -13.699 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.949 -11.191 -13.548 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.678 -12.196 -12.273 1.00 0.00 H new ATOM 434 N THR A 32 -7.606 -11.176 -10.485 1.00 0.00 N ATOM 435 CA THR A 32 -8.802 -11.500 -9.718 1.00 0.00 C ATOM 436 C THR A 32 -9.600 -10.244 -9.385 1.00 0.00 C ATOM 437 O THR A 32 -10.825 -10.227 -9.499 1.00 0.00 O ATOM 438 CB THR A 32 -8.449 -12.231 -8.409 1.00 0.00 C ATOM 439 OG1 THR A 32 -7.727 -13.433 -8.699 1.00 0.00 O ATOM 440 CG2 THR A 32 -9.705 -12.566 -7.620 1.00 0.00 C ATOM 0 H THR A 32 -6.746 -11.583 -10.118 1.00 0.00 H new ATOM 0 HA THR A 32 -9.408 -12.157 -10.342 1.00 0.00 H new ATOM 0 HB THR A 32 -7.827 -11.570 -7.806 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.764 -13.259 -8.641 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.430 -13.082 -6.700 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.237 -11.647 -7.376 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.350 -13.210 -8.218 1.00 0.00 H new ATOM 448 N MET A 33 -8.897 -9.194 -8.975 1.00 0.00 N ATOM 449 CA MET A 33 -9.540 -7.932 -8.628 1.00 0.00 C ATOM 450 C MET A 33 -10.096 -7.245 -9.872 1.00 0.00 C ATOM 451 O MET A 33 -10.957 -6.372 -9.778 1.00 0.00 O ATOM 452 CB MET A 33 -8.549 -7.007 -7.920 1.00 0.00 C ATOM 453 CG MET A 33 -8.485 -7.221 -6.416 1.00 0.00 C ATOM 454 SD MET A 33 -10.085 -7.000 -5.615 1.00 0.00 S ATOM 455 CE MET A 33 -9.739 -5.605 -4.546 1.00 0.00 C ATOM 0 H MET A 33 -7.882 -9.192 -8.875 1.00 0.00 H new ATOM 0 HA MET A 33 -10.368 -8.149 -7.953 1.00 0.00 H new ATOM 0 HB2 MET A 33 -7.556 -7.160 -8.343 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.825 -5.972 -8.120 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.116 -8.226 -6.211 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.767 -6.524 -5.984 1.00 0.00 H new ATOM 0 HE1 MET A 33 -10.563 -5.470 -3.846 1.00 0.00 H new ATOM 0 HE2 MET A 33 -8.819 -5.791 -3.992 1.00 0.00 H new ATOM 0 HE3 MET A 33 -9.624 -4.704 -5.149 1.00 0.00 H new ATOM 465 N GLY A 34 -9.595 -7.645 -11.037 1.00 0.00 N ATOM 466 CA GLY A 34 -10.053 -7.057 -12.282 1.00 0.00 C ATOM 467 C GLY A 34 -9.023 -6.133 -12.900 1.00 0.00 C ATOM 468 O GLY A 34 -9.372 -5.184 -13.602 1.00 0.00 O ATOM 0 H GLY A 34 -8.880 -8.365 -11.141 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.294 -7.851 -12.988 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.973 -6.501 -12.101 1.00 0.00 H new ATOM 472 N GLU A 35 -7.749 -6.409 -12.638 1.00 0.00 N ATOM 473 CA GLU A 35 -6.665 -5.592 -13.172 1.00 0.00 C ATOM 474 C GLU A 35 -5.725 -6.432 -14.032 1.00 0.00 C ATOM 475 O GLU A 35 -5.213 -7.461 -13.591 1.00 0.00 O ATOM 476 CB GLU A 35 -5.882 -4.936 -12.033 1.00 0.00 C ATOM 477 CG GLU A 35 -6.723 -4.008 -11.172 1.00 0.00 C ATOM 478 CD GLU A 35 -7.578 -4.758 -10.168 1.00 0.00 C ATOM 479 OE1 GLU A 35 -7.083 -5.030 -9.054 1.00 0.00 O ATOM 480 OE2 GLU A 35 -8.740 -5.074 -10.497 1.00 0.00 O ATOM 0 H GLU A 35 -7.442 -7.191 -12.060 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.104 -4.814 -13.796 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.454 -5.715 -11.402 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.049 -4.373 -12.453 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.067 -3.318 -10.641 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.367 -3.407 -11.814 1.00 0.00 H new ATOM 487 N THR A 36 -5.503 -5.985 -15.264 1.00 0.00 N ATOM 488 CA THR A 36 -4.626 -6.694 -16.188 1.00 0.00 C ATOM 489 C THR A 36 -3.172 -6.282 -15.992 1.00 0.00 C ATOM 490 O THR A 36 -2.748 -5.224 -16.456 1.00 0.00 O ATOM 491 CB THR A 36 -5.028 -6.436 -17.653 1.00 0.00 C ATOM 492 OG1 THR A 36 -6.412 -6.750 -17.844 1.00 0.00 O ATOM 493 CG2 THR A 36 -4.178 -7.268 -18.601 1.00 0.00 C ATOM 0 H THR A 36 -5.919 -5.135 -15.645 1.00 0.00 H new ATOM 0 HA THR A 36 -4.731 -7.757 -15.971 1.00 0.00 H new ATOM 0 HB THR A 36 -4.862 -5.381 -17.872 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.660 -6.582 -18.777 1.00 0.00 H new ATOM 0 HG21 THR A 36 -4.480 -7.069 -19.629 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.128 -7.005 -18.474 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.317 -8.326 -18.380 1.00 0.00 H new ATOM 501 N VAL A 37 -2.411 -7.126 -15.302 1.00 0.00 N ATOM 502 CA VAL A 37 -1.002 -6.851 -15.046 1.00 0.00 C ATOM 503 C VAL A 37 -0.151 -7.156 -16.272 1.00 0.00 C ATOM 504 O VAL A 37 -0.402 -8.125 -16.989 1.00 0.00 O ATOM 505 CB VAL A 37 -0.478 -7.672 -13.853 1.00 0.00 C ATOM 506 CG1 VAL A 37 -0.108 -9.079 -14.294 1.00 0.00 C ATOM 507 CG2 VAL A 37 0.712 -6.976 -13.210 1.00 0.00 C ATOM 0 H VAL A 37 -2.747 -8.006 -14.910 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.925 -5.790 -14.809 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.272 -7.747 -13.110 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.260 -9.644 -13.437 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.988 -9.575 -14.705 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.669 -9.029 -15.057 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.070 -7.570 -12.369 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.511 -6.868 -13.944 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.409 -5.991 -12.856 1.00 0.00 H new ATOM 517 N MET A 38 0.858 -6.324 -16.508 1.00 0.00 N ATOM 518 CA MET A 38 1.749 -6.506 -17.648 1.00 0.00 C ATOM 519 C MET A 38 2.897 -7.447 -17.296 1.00 0.00 C ATOM 520 O MET A 38 3.287 -8.294 -18.100 1.00 0.00 O ATOM 521 CB MET A 38 2.303 -5.158 -18.111 1.00 0.00 C ATOM 522 CG MET A 38 1.273 -4.285 -18.809 1.00 0.00 C ATOM 523 SD MET A 38 0.652 -5.026 -20.332 1.00 0.00 S ATOM 524 CE MET A 38 -1.113 -4.991 -20.030 1.00 0.00 C ATOM 0 H MET A 38 1.079 -5.517 -15.925 1.00 0.00 H new ATOM 0 HA MET A 38 1.173 -6.951 -18.459 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.698 -4.621 -17.248 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.139 -5.331 -18.788 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.439 -4.102 -18.132 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.718 -3.316 -19.036 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.637 -5.418 -20.885 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.341 -5.574 -19.137 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.437 -3.961 -19.883 1.00 0.00 H new ATOM 534 N SER A 39 3.434 -7.292 -16.090 1.00 0.00 N ATOM 535 CA SER A 39 4.541 -8.125 -15.634 1.00 0.00 C ATOM 536 C SER A 39 4.744 -7.981 -14.128 1.00 0.00 C ATOM 537 O SER A 39 4.264 -7.028 -13.514 1.00 0.00 O ATOM 538 CB SER A 39 5.827 -7.751 -16.372 1.00 0.00 C ATOM 539 OG SER A 39 6.427 -6.601 -15.801 1.00 0.00 O ATOM 0 H SER A 39 3.121 -6.598 -15.411 1.00 0.00 H new ATOM 0 HA SER A 39 4.295 -9.164 -15.853 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.527 -8.586 -16.336 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.606 -7.566 -17.423 1.00 0.00 H new ATOM 0 HG SER A 39 7.248 -6.384 -16.290 1.00 0.00 H new ATOM 545 N VAL A 40 5.460 -8.934 -13.540 1.00 0.00 N ATOM 546 CA VAL A 40 5.729 -8.914 -12.108 1.00 0.00 C ATOM 547 C VAL A 40 7.118 -9.464 -11.802 1.00 0.00 C ATOM 548 O VAL A 40 7.468 -10.567 -12.223 1.00 0.00 O ATOM 549 CB VAL A 40 4.682 -9.732 -11.328 1.00 0.00 C ATOM 550 CG1 VAL A 40 4.426 -11.065 -12.015 1.00 0.00 C ATOM 551 CG2 VAL A 40 5.133 -9.942 -9.891 1.00 0.00 C ATOM 0 H VAL A 40 5.864 -9.730 -14.034 1.00 0.00 H new ATOM 0 HA VAL A 40 5.675 -7.873 -11.791 1.00 0.00 H new ATOM 0 HB VAL A 40 3.747 -9.172 -11.313 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.684 -11.629 -11.450 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.056 -10.889 -13.025 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.355 -11.634 -12.063 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.382 -10.522 -9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.081 -10.480 -9.882 1.00 0.00 H new ATOM 0 HG23 VAL A 40 5.260 -8.975 -9.405 1.00 0.00 H new ATOM 561 N LYS A 41 7.906 -8.688 -11.065 1.00 0.00 N ATOM 562 CA LYS A 41 9.257 -9.097 -10.700 1.00 0.00 C ATOM 563 C LYS A 41 9.410 -9.179 -9.184 1.00 0.00 C ATOM 564 O LYS A 41 9.147 -8.211 -8.471 1.00 0.00 O ATOM 565 CB LYS A 41 10.282 -8.115 -11.273 1.00 0.00 C ATOM 566 CG LYS A 41 11.622 -8.753 -11.594 1.00 0.00 C ATOM 567 CD LYS A 41 12.739 -7.723 -11.614 1.00 0.00 C ATOM 568 CE LYS A 41 14.108 -8.386 -11.646 1.00 0.00 C ATOM 569 NZ LYS A 41 14.567 -8.643 -13.040 1.00 0.00 N ATOM 0 H LYS A 41 7.632 -7.772 -10.709 1.00 0.00 H new ATOM 0 HA LYS A 41 9.436 -10.087 -11.120 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.876 -7.667 -12.180 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.436 -7.306 -10.559 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.847 -9.521 -10.854 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.567 -9.250 -12.562 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.625 -7.078 -12.486 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.663 -7.085 -10.733 1.00 0.00 H new ATOM 0 HE2 LYS A 41 14.832 -7.750 -11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.069 -9.327 -11.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 15.503 -9.095 -13.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.890 -9.271 -13.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.629 -7.743 -13.557 1.00 0.00 H new ATOM 583 N ILE A 42 9.836 -10.341 -8.699 1.00 0.00 N ATOM 584 CA ILE A 42 10.026 -10.547 -7.269 1.00 0.00 C ATOM 585 C ILE A 42 11.474 -10.295 -6.864 1.00 0.00 C ATOM 586 O ILE A 42 12.381 -11.013 -7.286 1.00 0.00 O ATOM 587 CB ILE A 42 9.629 -11.975 -6.849 1.00 0.00 C ATOM 588 CG1 ILE A 42 8.299 -12.369 -7.496 1.00 0.00 C ATOM 589 CG2 ILE A 42 9.536 -12.075 -5.334 1.00 0.00 C ATOM 590 CD1 ILE A 42 7.104 -11.656 -6.905 1.00 0.00 C ATOM 0 H ILE A 42 10.056 -11.153 -9.275 1.00 0.00 H new ATOM 0 HA ILE A 42 9.379 -9.833 -6.759 1.00 0.00 H new ATOM 0 HB ILE A 42 10.399 -12.666 -7.193 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.347 -12.156 -8.564 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.158 -13.445 -7.391 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.255 -13.090 -5.053 1.00 0.00 H new ATOM 0 HG22 ILE A 42 10.503 -11.831 -4.893 1.00 0.00 H new ATOM 0 HG23 ILE A 42 8.784 -11.376 -4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.197 -11.985 -7.412 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.030 -11.889 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.222 -10.580 -7.034 1.00 0.00 H new ATOM 602 N ILE A 43 11.684 -9.272 -6.043 1.00 0.00 N ATOM 603 CA ILE A 43 13.022 -8.927 -5.578 1.00 0.00 C ATOM 604 C ILE A 43 13.527 -9.939 -4.556 1.00 0.00 C ATOM 605 O ILE A 43 13.020 -10.011 -3.436 1.00 0.00 O ATOM 606 CB ILE A 43 13.055 -7.521 -4.952 1.00 0.00 C ATOM 607 CG1 ILE A 43 12.579 -6.476 -5.963 1.00 0.00 C ATOM 608 CG2 ILE A 43 14.458 -7.192 -4.463 1.00 0.00 C ATOM 609 CD1 ILE A 43 13.157 -6.668 -7.348 1.00 0.00 C ATOM 0 H ILE A 43 10.944 -8.667 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 43 13.673 -8.942 -6.452 1.00 0.00 H new ATOM 0 HB ILE A 43 12.379 -7.505 -4.097 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.491 -6.510 -6.024 1.00 0.00 H new ATOM 0 HG13 ILE A 43 12.847 -5.483 -5.601 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.465 -6.195 -4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.762 -7.922 -3.713 1.00 0.00 H new ATOM 0 HG23 ILE A 43 15.153 -7.223 -5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 43 12.776 -5.892 -8.012 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.244 -6.604 -7.301 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.868 -7.647 -7.731 1.00 0.00 H new ATOM 621 N ARG A 44 14.529 -10.719 -4.948 1.00 0.00 N ATOM 622 CA ARG A 44 15.104 -11.727 -4.065 1.00 0.00 C ATOM 623 C ARG A 44 16.620 -11.577 -3.983 1.00 0.00 C ATOM 624 O ARG A 44 17.241 -10.965 -4.850 1.00 0.00 O ATOM 625 CB ARG A 44 14.746 -13.130 -4.558 1.00 0.00 C ATOM 626 CG ARG A 44 13.329 -13.244 -5.097 1.00 0.00 C ATOM 627 CD ARG A 44 12.978 -14.682 -5.443 1.00 0.00 C ATOM 628 NE ARG A 44 13.463 -15.061 -6.767 1.00 0.00 N ATOM 629 CZ ARG A 44 13.115 -16.185 -7.384 1.00 0.00 C ATOM 630 NH1 ARG A 44 12.282 -17.035 -6.799 1.00 0.00 N ATOM 631 NH2 ARG A 44 13.598 -16.460 -8.588 1.00 0.00 N ATOM 0 H ARG A 44 14.960 -10.672 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 44 14.687 -11.581 -3.068 1.00 0.00 H new ATOM 0 HB2 ARG A 44 15.447 -13.421 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 44 14.872 -13.837 -3.738 1.00 0.00 H new ATOM 0 HG2 ARG A 44 12.625 -12.865 -4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 44 13.225 -12.619 -5.984 1.00 0.00 H new ATOM 0 HD2 ARG A 44 13.406 -15.350 -4.695 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.896 -14.811 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 44 14.104 -14.428 -7.245 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.907 -16.826 -5.874 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.016 -17.897 -7.274 1.00 0.00 H new ATOM 0 HH21 ARG A 44 14.238 -15.808 -9.042 1.00 0.00 H new ATOM 0 HH22 ARG A 44 13.330 -17.323 -9.060 1.00 0.00 H new ATOM 645 N ASN A 45 17.209 -12.139 -2.932 1.00 0.00 N ATOM 646 CA ASN A 45 18.652 -12.067 -2.735 1.00 0.00 C ATOM 647 C ASN A 45 19.371 -13.097 -3.600 1.00 0.00 C ATOM 648 O ASN A 45 18.758 -14.041 -4.099 1.00 0.00 O ATOM 649 CB ASN A 45 18.998 -12.290 -1.262 1.00 0.00 C ATOM 650 CG ASN A 45 20.266 -11.567 -0.850 1.00 0.00 C ATOM 651 OD1 ASN A 45 20.592 -10.508 -1.386 1.00 0.00 O ATOM 652 ND2 ASN A 45 20.988 -12.138 0.107 1.00 0.00 N ATOM 0 H ASN A 45 16.709 -12.649 -2.204 1.00 0.00 H new ATOM 0 HA ASN A 45 18.985 -11.073 -3.033 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.170 -11.948 -0.641 1.00 0.00 H new ATOM 0 HB3 ASN A 45 19.115 -13.358 -1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 45 21.851 -11.698 0.426 1.00 0.00 H new ATOM 0 HD22 ASN A 45 20.679 -13.017 0.523 1.00 0.00 H new ATOM 659 N ARG A 46 20.676 -12.909 -3.774 1.00 0.00 N ATOM 660 CA ARG A 46 21.479 -13.821 -4.579 1.00 0.00 C ATOM 661 C ARG A 46 22.137 -14.883 -3.704 1.00 0.00 C ATOM 662 O ARG A 46 22.587 -15.918 -4.197 1.00 0.00 O ATOM 663 CB ARG A 46 22.549 -13.046 -5.351 1.00 0.00 C ATOM 664 CG ARG A 46 23.480 -13.935 -6.159 1.00 0.00 C ATOM 665 CD ARG A 46 22.751 -14.599 -7.317 1.00 0.00 C ATOM 666 NE ARG A 46 22.793 -13.785 -8.529 1.00 0.00 N ATOM 667 CZ ARG A 46 23.918 -13.458 -9.156 1.00 0.00 C ATOM 668 NH1 ARG A 46 25.086 -13.874 -8.688 1.00 0.00 N ATOM 669 NH2 ARG A 46 23.874 -12.713 -10.253 1.00 0.00 N ATOM 0 H ARG A 46 21.199 -12.133 -3.368 1.00 0.00 H new ATOM 0 HA ARG A 46 20.817 -14.318 -5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 46 22.061 -12.340 -6.023 1.00 0.00 H new ATOM 0 HB3 ARG A 46 23.140 -12.460 -4.647 1.00 0.00 H new ATOM 0 HG2 ARG A 46 24.310 -13.341 -6.543 1.00 0.00 H new ATOM 0 HG3 ARG A 46 23.908 -14.700 -5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 46 23.200 -15.572 -7.518 1.00 0.00 H new ATOM 0 HD3 ARG A 46 21.713 -14.779 -7.037 1.00 0.00 H new ATOM 0 HE ARG A 46 21.911 -13.449 -8.915 1.00 0.00 H new ATOM 0 HH11 ARG A 46 25.123 -14.447 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 46 25.948 -13.622 -9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 46 22.976 -12.391 -10.615 1.00 0.00 H new ATOM 0 HH22 ARG A 46 24.738 -12.462 -10.734 1.00 0.00 H new ATOM 683 N LEU A 47 22.189 -14.621 -2.403 1.00 0.00 N ATOM 684 CA LEU A 47 22.793 -15.554 -1.457 1.00 0.00 C ATOM 685 C LEU A 47 21.727 -16.416 -0.789 1.00 0.00 C ATOM 686 O LEU A 47 21.818 -17.645 -0.787 1.00 0.00 O ATOM 687 CB LEU A 47 23.589 -14.792 -0.396 1.00 0.00 C ATOM 688 CG LEU A 47 24.742 -13.931 -0.912 1.00 0.00 C ATOM 689 CD1 LEU A 47 25.388 -13.164 0.232 1.00 0.00 C ATOM 690 CD2 LEU A 47 25.773 -14.793 -1.627 1.00 0.00 C ATOM 0 H LEU A 47 21.820 -13.770 -1.978 1.00 0.00 H new ATOM 0 HA LEU A 47 23.469 -16.207 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 47 22.901 -14.150 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 47 23.991 -15.513 0.316 1.00 0.00 H new ATOM 0 HG LEU A 47 24.342 -13.211 -1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 47 26.207 -12.557 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 47 24.646 -12.518 0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 47 25.774 -13.868 0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 47 26.586 -14.163 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 47 26.169 -15.536 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 47 25.303 -15.297 -2.471 1.00 0.00 H new ATOM 702 N THR A 48 20.715 -15.766 -0.223 1.00 0.00 N ATOM 703 CA THR A 48 19.632 -16.473 0.448 1.00 0.00 C ATOM 704 C THR A 48 18.540 -16.869 -0.539 1.00 0.00 C ATOM 705 O THR A 48 17.899 -17.908 -0.386 1.00 0.00 O ATOM 706 CB THR A 48 19.010 -15.616 1.567 1.00 0.00 C ATOM 707 OG1 THR A 48 18.636 -14.333 1.051 1.00 0.00 O ATOM 708 CG2 THR A 48 19.987 -15.439 2.720 1.00 0.00 C ATOM 0 H THR A 48 20.623 -14.750 -0.216 1.00 0.00 H new ATOM 0 HA THR A 48 20.065 -17.372 0.887 1.00 0.00 H new ATOM 0 HB THR A 48 18.124 -16.131 1.938 1.00 0.00 H new ATOM 0 HG1 THR A 48 18.240 -13.795 1.768 1.00 0.00 H new ATOM 0 HG21 THR A 48 19.526 -14.831 3.498 1.00 0.00 H new ATOM 0 HG22 THR A 48 20.247 -16.415 3.129 1.00 0.00 H new ATOM 0 HG23 THR A 48 20.889 -14.944 2.360 1.00 0.00 H new ATOM 716 N GLY A 49 18.334 -16.035 -1.553 1.00 0.00 N ATOM 717 CA GLY A 49 17.319 -16.317 -2.551 1.00 0.00 C ATOM 718 C GLY A 49 15.927 -15.939 -2.085 1.00 0.00 C ATOM 719 O GLY A 49 14.966 -16.018 -2.851 1.00 0.00 O ATOM 0 H GLY A 49 18.852 -15.169 -1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.553 -15.773 -3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.341 -17.379 -2.797 1.00 0.00 H new ATOM 723 N ILE A 50 15.817 -15.530 -0.826 1.00 0.00 N ATOM 724 CA ILE A 50 14.532 -15.139 -0.259 1.00 0.00 C ATOM 725 C ILE A 50 14.081 -13.787 -0.800 1.00 0.00 C ATOM 726 O ILE A 50 14.869 -12.851 -0.937 1.00 0.00 O ATOM 727 CB ILE A 50 14.592 -15.071 1.278 1.00 0.00 C ATOM 728 CG1 ILE A 50 14.984 -16.432 1.856 1.00 0.00 C ATOM 729 CG2 ILE A 50 13.254 -14.616 1.841 1.00 0.00 C ATOM 730 CD1 ILE A 50 15.168 -16.421 3.358 1.00 0.00 C ATOM 0 H ILE A 50 16.602 -15.461 -0.179 1.00 0.00 H new ATOM 0 HA ILE A 50 13.812 -15.903 -0.552 1.00 0.00 H new ATOM 0 HB ILE A 50 15.351 -14.343 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 50 14.217 -17.162 1.597 1.00 0.00 H new ATOM 0 HG13 ILE A 50 15.910 -16.764 1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 50 13.313 -14.573 2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 50 13.013 -13.627 1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 50 12.477 -15.321 1.547 1.00 0.00 H new ATOM 0 HD11 ILE A 50 15.445 -17.419 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 50 15.956 -15.716 3.623 1.00 0.00 H new ATOM 0 HD13 ILE A 50 14.236 -16.120 3.837 1.00 0.00 H new ATOM 742 N PRO A 51 12.781 -13.679 -1.114 1.00 0.00 N ATOM 743 CA PRO A 51 12.194 -12.444 -1.642 1.00 0.00 C ATOM 744 C PRO A 51 12.134 -11.337 -0.596 1.00 0.00 C ATOM 745 O PRO A 51 11.455 -11.467 0.421 1.00 0.00 O ATOM 746 CB PRO A 51 10.782 -12.869 -2.052 1.00 0.00 C ATOM 747 CG PRO A 51 10.476 -14.045 -1.190 1.00 0.00 C ATOM 748 CD PRO A 51 11.784 -14.754 -0.976 1.00 0.00 C ATOM 0 HA PRO A 51 12.784 -12.030 -2.460 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.064 -12.064 -1.893 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.738 -13.131 -3.109 1.00 0.00 H new ATOM 0 HG2 PRO A 51 10.043 -13.730 -0.240 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.750 -14.702 -1.669 1.00 0.00 H new ATOM 0 HD2 PRO A 51 11.831 -15.222 0.007 1.00 0.00 H new ATOM 0 HD3 PRO A 51 11.939 -15.543 -1.712 1.00 0.00 H new ATOM 756 N ALA A 52 12.850 -10.247 -0.853 1.00 0.00 N ATOM 757 CA ALA A 52 12.876 -9.115 0.066 1.00 0.00 C ATOM 758 C ALA A 52 11.513 -8.907 0.718 1.00 0.00 C ATOM 759 O ALA A 52 11.423 -8.444 1.855 1.00 0.00 O ATOM 760 CB ALA A 52 13.313 -7.853 -0.663 1.00 0.00 C ATOM 0 H ALA A 52 13.420 -10.124 -1.690 1.00 0.00 H new ATOM 0 HA ALA A 52 13.597 -9.334 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.328 -7.016 0.035 1.00 0.00 H new ATOM 0 HB2 ALA A 52 14.311 -7.999 -1.076 1.00 0.00 H new ATOM 0 HB3 ALA A 52 12.614 -7.639 -1.471 1.00 0.00 H new ATOM 766 N GLY A 53 10.455 -9.251 -0.009 1.00 0.00 N ATOM 767 CA GLY A 53 9.111 -9.093 0.516 1.00 0.00 C ATOM 768 C GLY A 53 8.267 -8.156 -0.325 1.00 0.00 C ATOM 769 O GLY A 53 7.127 -7.852 0.027 1.00 0.00 O ATOM 0 H GLY A 53 10.504 -9.636 -0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.626 -10.068 0.565 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.165 -8.712 1.536 1.00 0.00 H new ATOM 773 N TYR A 54 8.827 -7.695 -1.437 1.00 0.00 N ATOM 774 CA TYR A 54 8.120 -6.783 -2.328 1.00 0.00 C ATOM 775 C TYR A 54 8.411 -7.113 -3.789 1.00 0.00 C ATOM 776 O TYR A 54 9.464 -7.663 -4.115 1.00 0.00 O ATOM 777 CB TYR A 54 8.518 -5.336 -2.032 1.00 0.00 C ATOM 778 CG TYR A 54 9.943 -5.009 -2.415 1.00 0.00 C ATOM 779 CD1 TYR A 54 11.007 -5.406 -1.613 1.00 0.00 C ATOM 780 CD2 TYR A 54 10.227 -4.303 -3.577 1.00 0.00 C ATOM 781 CE1 TYR A 54 12.311 -5.109 -1.959 1.00 0.00 C ATOM 782 CE2 TYR A 54 11.528 -4.003 -3.931 1.00 0.00 C ATOM 783 CZ TYR A 54 12.567 -4.408 -3.119 1.00 0.00 C ATOM 784 OH TYR A 54 13.864 -4.110 -3.467 1.00 0.00 O ATOM 0 H TYR A 54 9.769 -7.938 -1.743 1.00 0.00 H new ATOM 0 HA TYR A 54 7.051 -6.902 -2.153 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.844 -4.666 -2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.383 -5.141 -0.968 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.811 -5.956 -0.704 1.00 0.00 H new ATOM 0 HD2 TYR A 54 9.416 -3.983 -4.215 1.00 0.00 H new ATOM 0 HE1 TYR A 54 13.126 -5.424 -1.324 1.00 0.00 H new ATOM 0 HE2 TYR A 54 11.731 -3.454 -4.839 1.00 0.00 H new ATOM 0 HH TYR A 54 13.870 -3.614 -4.312 1.00 0.00 H new ATOM 794 N CYS A 55 7.472 -6.772 -4.664 1.00 0.00 N ATOM 795 CA CYS A 55 7.626 -7.032 -6.091 1.00 0.00 C ATOM 796 C CYS A 55 7.121 -5.852 -6.916 1.00 0.00 C ATOM 797 O CYS A 55 6.256 -5.096 -6.472 1.00 0.00 O ATOM 798 CB CYS A 55 6.873 -8.304 -6.483 1.00 0.00 C ATOM 799 SG CYS A 55 5.084 -8.086 -6.636 1.00 0.00 S ATOM 0 H CYS A 55 6.596 -6.315 -4.411 1.00 0.00 H new ATOM 0 HA CYS A 55 8.687 -7.169 -6.298 1.00 0.00 H new ATOM 0 HB2 CYS A 55 7.266 -8.668 -7.432 1.00 0.00 H new ATOM 0 HB3 CYS A 55 7.072 -9.075 -5.739 1.00 0.00 H new ATOM 0 HG CYS A 55 4.809 -7.546 -7.786 1.00 0.00 H new ATOM 805 N PHE A 56 7.666 -5.701 -8.118 1.00 0.00 N ATOM 806 CA PHE A 56 7.273 -4.612 -9.004 1.00 0.00 C ATOM 807 C PHE A 56 6.298 -5.103 -10.070 1.00 0.00 C ATOM 808 O PHE A 56 6.487 -6.168 -10.658 1.00 0.00 O ATOM 809 CB PHE A 56 8.506 -3.997 -9.670 1.00 0.00 C ATOM 810 CG PHE A 56 9.358 -3.195 -8.728 1.00 0.00 C ATOM 811 CD1 PHE A 56 8.904 -1.990 -8.217 1.00 0.00 C ATOM 812 CD2 PHE A 56 10.614 -3.645 -8.355 1.00 0.00 C ATOM 813 CE1 PHE A 56 9.685 -1.249 -7.350 1.00 0.00 C ATOM 814 CE2 PHE A 56 11.400 -2.909 -7.488 1.00 0.00 C ATOM 815 CZ PHE A 56 10.935 -1.709 -6.986 1.00 0.00 C ATOM 0 H PHE A 56 8.381 -6.319 -8.501 1.00 0.00 H new ATOM 0 HA PHE A 56 6.775 -3.851 -8.403 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.110 -4.794 -10.105 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.184 -3.357 -10.491 1.00 0.00 H new ATOM 0 HD1 PHE A 56 7.928 -1.625 -8.500 1.00 0.00 H new ATOM 0 HD2 PHE A 56 10.983 -4.582 -8.746 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.318 -0.312 -6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 56 12.377 -3.272 -7.203 1.00 0.00 H new ATOM 0 HZ PHE A 56 11.548 -1.132 -6.310 1.00 0.00 H new ATOM 825 N VAL A 57 5.252 -4.318 -10.313 1.00 0.00 N ATOM 826 CA VAL A 57 4.247 -4.672 -11.308 1.00 0.00 C ATOM 827 C VAL A 57 4.209 -3.650 -12.438 1.00 0.00 C ATOM 828 O VAL A 57 4.093 -2.449 -12.198 1.00 0.00 O ATOM 829 CB VAL A 57 2.845 -4.775 -10.677 1.00 0.00 C ATOM 830 CG1 VAL A 57 2.562 -6.204 -10.237 1.00 0.00 C ATOM 831 CG2 VAL A 57 2.716 -3.812 -9.507 1.00 0.00 C ATOM 0 H VAL A 57 5.079 -3.434 -9.835 1.00 0.00 H new ATOM 0 HA VAL A 57 4.529 -5.645 -11.711 1.00 0.00 H new ATOM 0 HB VAL A 57 2.105 -4.498 -11.428 1.00 0.00 H new ATOM 0 HG11 VAL A 57 1.568 -6.258 -9.794 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.611 -6.867 -11.101 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.305 -6.512 -9.501 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.720 -3.898 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.463 -4.055 -8.751 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.873 -2.792 -9.857 1.00 0.00 H new ATOM 841 N GLU A 58 4.306 -4.136 -13.672 1.00 0.00 N ATOM 842 CA GLU A 58 4.283 -3.264 -14.840 1.00 0.00 C ATOM 843 C GLU A 58 2.863 -3.106 -15.374 1.00 0.00 C ATOM 844 O GLU A 58 2.018 -3.983 -15.190 1.00 0.00 O ATOM 845 CB GLU A 58 5.194 -3.819 -15.937 1.00 0.00 C ATOM 846 CG GLU A 58 5.638 -2.774 -16.947 1.00 0.00 C ATOM 847 CD GLU A 58 6.980 -3.102 -17.573 1.00 0.00 C ATOM 848 OE1 GLU A 58 7.033 -4.021 -18.416 1.00 0.00 O ATOM 849 OE2 GLU A 58 7.977 -2.438 -17.219 1.00 0.00 O ATOM 0 H GLU A 58 4.401 -5.128 -13.888 1.00 0.00 H new ATOM 0 HA GLU A 58 4.649 -2.283 -14.536 1.00 0.00 H new ATOM 0 HB2 GLU A 58 6.076 -4.263 -15.475 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.671 -4.619 -16.461 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.886 -2.690 -17.732 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.698 -1.802 -16.457 1.00 0.00 H new ATOM 856 N PHE A 59 2.607 -1.983 -16.036 1.00 0.00 N ATOM 857 CA PHE A 59 1.288 -1.709 -16.596 1.00 0.00 C ATOM 858 C PHE A 59 1.405 -0.969 -17.926 1.00 0.00 C ATOM 859 O PHE A 59 2.504 -0.636 -18.369 1.00 0.00 O ATOM 860 CB PHE A 59 0.454 -0.885 -15.613 1.00 0.00 C ATOM 861 CG PHE A 59 -0.064 -1.684 -14.451 1.00 0.00 C ATOM 862 CD1 PHE A 59 0.693 -1.827 -13.299 1.00 0.00 C ATOM 863 CD2 PHE A 59 -1.308 -2.292 -14.511 1.00 0.00 C ATOM 864 CE1 PHE A 59 0.219 -2.560 -12.228 1.00 0.00 C ATOM 865 CE2 PHE A 59 -1.787 -3.026 -13.443 1.00 0.00 C ATOM 866 CZ PHE A 59 -1.023 -3.162 -12.300 1.00 0.00 C ATOM 0 H PHE A 59 3.295 -1.248 -16.198 1.00 0.00 H new ATOM 0 HA PHE A 59 0.791 -2.663 -16.773 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.060 -0.061 -15.236 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.389 -0.443 -16.145 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.665 -1.360 -13.238 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.909 -2.191 -15.402 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.818 -2.662 -11.335 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.759 -3.494 -13.502 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.395 -3.737 -11.465 1.00 0.00 H new ATOM 876 N ALA A 60 0.263 -0.717 -18.557 1.00 0.00 N ATOM 877 CA ALA A 60 0.236 -0.015 -19.835 1.00 0.00 C ATOM 878 C ALA A 60 0.936 1.336 -19.735 1.00 0.00 C ATOM 879 O ALA A 60 1.776 1.674 -20.569 1.00 0.00 O ATOM 880 CB ALA A 60 -1.199 0.165 -20.308 1.00 0.00 C ATOM 0 H ALA A 60 -0.655 -0.988 -18.205 1.00 0.00 H new ATOM 0 HA ALA A 60 0.774 -0.620 -20.565 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.204 0.690 -21.263 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.668 -0.812 -20.429 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -1.755 0.745 -19.572 1.00 0.00 H new ATOM 886 N ASP A 61 0.584 2.104 -18.710 1.00 0.00 N ATOM 887 CA ASP A 61 1.178 3.419 -18.500 1.00 0.00 C ATOM 888 C ASP A 61 0.929 3.908 -17.077 1.00 0.00 C ATOM 889 O ASP A 61 0.133 3.325 -16.339 1.00 0.00 O ATOM 890 CB ASP A 61 0.612 4.425 -19.504 1.00 0.00 C ATOM 891 CG ASP A 61 0.927 4.050 -20.939 1.00 0.00 C ATOM 892 OD1 ASP A 61 0.164 3.254 -21.525 1.00 0.00 O ATOM 893 OD2 ASP A 61 1.937 4.552 -21.475 1.00 0.00 O ATOM 0 H ASP A 61 -0.110 1.838 -18.011 1.00 0.00 H new ATOM 0 HA ASP A 61 2.254 3.332 -18.652 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.469 4.491 -19.378 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.019 5.414 -19.292 1.00 0.00 H new ATOM 898 N LEU A 62 1.615 4.979 -16.696 1.00 0.00 N ATOM 899 CA LEU A 62 1.470 5.546 -15.359 1.00 0.00 C ATOM 900 C LEU A 62 0.003 5.820 -15.041 1.00 0.00 C ATOM 901 O LEU A 62 -0.503 5.406 -13.998 1.00 0.00 O ATOM 902 CB LEU A 62 2.278 6.839 -15.242 1.00 0.00 C ATOM 903 CG LEU A 62 2.161 7.586 -13.912 1.00 0.00 C ATOM 904 CD1 LEU A 62 2.880 6.826 -12.808 1.00 0.00 C ATOM 905 CD2 LEU A 62 2.718 8.996 -14.041 1.00 0.00 C ATOM 0 H LEU A 62 2.278 5.473 -17.294 1.00 0.00 H new ATOM 0 HA LEU A 62 1.850 4.821 -14.640 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.329 6.604 -15.413 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.968 7.511 -16.042 1.00 0.00 H new ATOM 0 HG LEU A 62 1.106 7.657 -13.649 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.786 7.372 -11.869 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.435 5.837 -12.698 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.934 6.723 -13.064 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.626 9.512 -13.085 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.768 8.947 -14.328 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.159 9.540 -14.802 1.00 0.00 H new ATOM 917 N ALA A 63 -0.674 6.517 -15.947 1.00 0.00 N ATOM 918 CA ALA A 63 -2.083 6.842 -15.765 1.00 0.00 C ATOM 919 C ALA A 63 -2.863 5.635 -15.254 1.00 0.00 C ATOM 920 O ALA A 63 -3.446 5.672 -14.170 1.00 0.00 O ATOM 921 CB ALA A 63 -2.682 7.346 -17.070 1.00 0.00 C ATOM 0 H ALA A 63 -0.269 6.868 -16.815 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.154 7.631 -15.017 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.735 7.585 -16.919 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.150 8.241 -17.393 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.591 6.574 -17.834 1.00 0.00 H new ATOM 927 N THR A 64 -2.870 4.564 -16.042 1.00 0.00 N ATOM 928 CA THR A 64 -3.580 3.347 -15.671 1.00 0.00 C ATOM 929 C THR A 64 -3.129 2.842 -14.305 1.00 0.00 C ATOM 930 O THR A 64 -3.945 2.408 -13.493 1.00 0.00 O ATOM 931 CB THR A 64 -3.368 2.232 -16.712 1.00 0.00 C ATOM 932 OG1 THR A 64 -3.948 2.615 -17.964 1.00 0.00 O ATOM 933 CG2 THR A 64 -3.985 0.925 -16.240 1.00 0.00 C ATOM 0 H THR A 64 -2.392 4.515 -16.941 1.00 0.00 H new ATOM 0 HA THR A 64 -4.639 3.600 -15.631 1.00 0.00 H new ATOM 0 HB THR A 64 -2.296 2.083 -16.839 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.808 1.902 -18.621 1.00 0.00 H new ATOM 0 HG21 THR A 64 -3.822 0.153 -16.992 1.00 0.00 H new ATOM 0 HG22 THR A 64 -3.520 0.621 -15.302 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.055 1.062 -16.087 1.00 0.00 H new ATOM 941 N ALA A 65 -1.825 2.904 -14.058 1.00 0.00 N ATOM 942 CA ALA A 65 -1.266 2.456 -12.788 1.00 0.00 C ATOM 943 C ALA A 65 -1.964 3.130 -11.612 1.00 0.00 C ATOM 944 O ALA A 65 -2.360 2.470 -10.652 1.00 0.00 O ATOM 945 CB ALA A 65 0.230 2.731 -12.744 1.00 0.00 C ATOM 0 H ALA A 65 -1.136 3.260 -14.720 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.430 1.382 -12.706 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.634 2.392 -11.790 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.722 2.198 -13.557 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.407 3.801 -12.853 1.00 0.00 H new ATOM 951 N GLU A 66 -2.112 4.449 -11.694 1.00 0.00 N ATOM 952 CA GLU A 66 -2.761 5.212 -10.635 1.00 0.00 C ATOM 953 C GLU A 66 -4.158 4.666 -10.350 1.00 0.00 C ATOM 954 O GLU A 66 -4.418 4.126 -9.275 1.00 0.00 O ATOM 955 CB GLU A 66 -2.848 6.690 -11.020 1.00 0.00 C ATOM 956 CG GLU A 66 -1.587 7.476 -10.704 1.00 0.00 C ATOM 957 CD GLU A 66 -0.609 7.501 -11.862 1.00 0.00 C ATOM 958 OE1 GLU A 66 0.231 6.581 -11.948 1.00 0.00 O ATOM 959 OE2 GLU A 66 -0.683 8.440 -12.682 1.00 0.00 O ATOM 0 H GLU A 66 -1.791 5.011 -12.483 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.160 5.115 -9.731 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.056 6.767 -12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -3.690 7.144 -10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.857 8.498 -10.440 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.100 7.039 -9.832 1.00 0.00 H new ATOM 966 N LYS A 67 -5.053 4.813 -11.321 1.00 0.00 N ATOM 967 CA LYS A 67 -6.423 4.335 -11.177 1.00 0.00 C ATOM 968 C LYS A 67 -6.447 2.887 -10.699 1.00 0.00 C ATOM 969 O LYS A 67 -7.277 2.510 -9.871 1.00 0.00 O ATOM 970 CB LYS A 67 -7.170 4.457 -12.507 1.00 0.00 C ATOM 971 CG LYS A 67 -7.135 5.856 -13.098 1.00 0.00 C ATOM 972 CD LYS A 67 -7.157 5.820 -14.617 1.00 0.00 C ATOM 973 CE LYS A 67 -8.578 5.735 -15.152 1.00 0.00 C ATOM 974 NZ LYS A 67 -8.705 6.375 -16.491 1.00 0.00 N ATOM 0 H LYS A 67 -4.854 5.259 -12.216 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.920 4.954 -10.430 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.737 3.758 -13.223 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.208 4.160 -12.360 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.989 6.427 -12.734 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.238 6.373 -12.758 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.672 6.713 -15.010 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.582 4.964 -14.970 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.879 4.690 -15.219 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.259 6.219 -14.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.688 6.296 -16.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.442 7.379 -16.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.074 5.897 -17.165 1.00 0.00 H new ATOM 988 N CYS A 68 -5.532 2.080 -11.225 1.00 0.00 N ATOM 989 CA CYS A 68 -5.448 0.673 -10.851 1.00 0.00 C ATOM 990 C CYS A 68 -4.778 0.510 -9.491 1.00 0.00 C ATOM 991 O CYS A 68 -4.857 -0.551 -8.871 1.00 0.00 O ATOM 992 CB CYS A 68 -4.675 -0.113 -11.912 1.00 0.00 C ATOM 993 SG CYS A 68 -5.698 -0.715 -13.276 1.00 0.00 S ATOM 0 H CYS A 68 -4.838 2.376 -11.912 1.00 0.00 H new ATOM 0 HA CYS A 68 -6.462 0.279 -10.785 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.886 0.522 -12.316 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.187 -0.963 -11.435 1.00 0.00 H new ATOM 0 HG CYS A 68 -4.955 -1.365 -14.122 1.00 0.00 H new ATOM 999 N LEU A 69 -4.118 1.568 -9.033 1.00 0.00 N ATOM 1000 CA LEU A 69 -3.431 1.543 -7.746 1.00 0.00 C ATOM 1001 C LEU A 69 -4.331 2.081 -6.638 1.00 0.00 C ATOM 1002 O LEU A 69 -4.171 1.730 -5.468 1.00 0.00 O ATOM 1003 CB LEU A 69 -2.143 2.365 -7.817 1.00 0.00 C ATOM 1004 CG LEU A 69 -1.706 3.040 -6.516 1.00 0.00 C ATOM 1005 CD1 LEU A 69 -1.008 2.042 -5.605 1.00 0.00 C ATOM 1006 CD2 LEU A 69 -0.796 4.224 -6.810 1.00 0.00 C ATOM 0 H LEU A 69 -4.044 2.454 -9.533 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.181 0.507 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.337 1.713 -8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.268 3.135 -8.578 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.595 3.408 -6.003 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.704 2.540 -4.684 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.691 1.226 -5.368 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.128 1.643 -6.109 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.495 4.693 -5.873 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.089 3.879 -7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.330 4.950 -7.423 1.00 0.00 H new ATOM 1018 N HIS A 70 -5.280 2.932 -7.015 1.00 0.00 N ATOM 1019 CA HIS A 70 -6.208 3.516 -6.053 1.00 0.00 C ATOM 1020 C HIS A 70 -7.452 2.646 -5.901 1.00 0.00 C ATOM 1021 O HIS A 70 -8.236 2.823 -4.968 1.00 0.00 O ATOM 1022 CB HIS A 70 -6.608 4.926 -6.490 1.00 0.00 C ATOM 1023 CG HIS A 70 -5.513 5.935 -6.334 1.00 0.00 C ATOM 1024 ND1 HIS A 70 -5.647 7.079 -5.576 1.00 0.00 N ATOM 1025 CD2 HIS A 70 -4.259 5.966 -6.841 1.00 0.00 C ATOM 1026 CE1 HIS A 70 -4.523 7.772 -5.626 1.00 0.00 C ATOM 1027 NE2 HIS A 70 -3.664 7.118 -6.387 1.00 0.00 N ATOM 0 H HIS A 70 -5.427 3.232 -7.979 1.00 0.00 H new ATOM 0 HA HIS A 70 -5.705 3.572 -5.088 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -6.920 4.899 -7.534 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.472 5.247 -5.908 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.809 5.223 -7.483 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.338 8.713 -5.129 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.714 7.419 -6.602 1.00 0.00 H new ATOM 1035 N LYS A 71 -7.627 1.706 -6.823 1.00 0.00 N ATOM 1036 CA LYS A 71 -8.774 0.807 -6.792 1.00 0.00 C ATOM 1037 C LYS A 71 -8.511 -0.381 -5.872 1.00 0.00 C ATOM 1038 O LYS A 71 -9.443 -1.046 -5.419 1.00 0.00 O ATOM 1039 CB LYS A 71 -9.098 0.310 -8.203 1.00 0.00 C ATOM 1040 CG LYS A 71 -7.956 -0.449 -8.857 1.00 0.00 C ATOM 1041 CD LYS A 71 -7.948 -1.910 -8.440 1.00 0.00 C ATOM 1042 CE LYS A 71 -9.272 -2.588 -8.756 1.00 0.00 C ATOM 1043 NZ LYS A 71 -9.818 -2.152 -10.071 1.00 0.00 N ATOM 0 H LYS A 71 -6.988 1.547 -7.602 1.00 0.00 H new ATOM 0 HA LYS A 71 -9.628 1.363 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -9.975 -0.336 -8.159 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.362 1.163 -8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.045 -0.379 -9.941 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.007 0.013 -8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.140 -2.431 -8.953 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.747 -1.983 -7.371 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.134 -3.669 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -9.993 -2.361 -7.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.458 -2.883 -10.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.342 -1.261 -9.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.036 -2.006 -10.741 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.236 -0.640 -5.598 1.00 0.00 N ATOM 1058 CA ILE A 72 -6.852 -1.746 -4.730 1.00 0.00 C ATOM 1059 C ILE A 72 -6.075 -1.247 -3.516 1.00 0.00 C ATOM 1060 O ILE A 72 -5.831 -1.996 -2.572 1.00 0.00 O ATOM 1061 CB ILE A 72 -5.995 -2.781 -5.483 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -5.192 -2.100 -6.593 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -6.876 -3.880 -6.057 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -4.537 -3.073 -7.548 1.00 0.00 C ATOM 0 H ILE A 72 -6.453 -0.099 -5.964 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.775 -2.222 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.296 -3.233 -4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.852 -1.440 -7.156 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.423 -1.473 -6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.256 -4.604 -6.586 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.407 -4.380 -5.247 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.597 -3.444 -6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.985 -2.521 -8.308 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.851 -3.717 -6.998 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.302 -3.684 -8.027 1.00 0.00 H new ATOM 1076 N ASN A 73 -5.692 0.026 -3.547 1.00 0.00 N ATOM 1077 CA ASN A 73 -4.944 0.626 -2.449 1.00 0.00 C ATOM 1078 C ASN A 73 -5.780 0.652 -1.172 1.00 0.00 C ATOM 1079 O ASN A 73 -6.375 1.671 -0.828 1.00 0.00 O ATOM 1080 CB ASN A 73 -4.510 2.047 -2.816 1.00 0.00 C ATOM 1081 CG ASN A 73 -4.287 2.917 -1.594 1.00 0.00 C ATOM 1082 OD1 ASN A 73 -5.083 3.809 -1.300 1.00 0.00 O ATOM 1083 ND2 ASN A 73 -3.200 2.661 -0.876 1.00 0.00 N ATOM 0 H ASN A 73 -5.888 0.661 -4.321 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.058 0.017 -2.271 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -3.591 2.004 -3.400 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.270 2.504 -3.450 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.997 3.214 -0.043 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.568 1.912 -1.157 1.00 0.00 H new ATOM 1090 N GLY A 74 -5.818 -0.479 -0.474 1.00 0.00 N ATOM 1091 CA GLY A 74 -6.582 -0.565 0.757 1.00 0.00 C ATOM 1092 C GLY A 74 -7.553 -1.729 0.756 1.00 0.00 C ATOM 1093 O GLY A 74 -8.096 -2.096 1.799 1.00 0.00 O ATOM 0 H GLY A 74 -5.334 -1.337 -0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.898 -0.667 1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.133 0.364 0.905 1.00 0.00 H new ATOM 1097 N LYS A 75 -7.774 -2.312 -0.417 1.00 0.00 N ATOM 1098 CA LYS A 75 -8.687 -3.442 -0.551 1.00 0.00 C ATOM 1099 C LYS A 75 -8.019 -4.737 -0.103 1.00 0.00 C ATOM 1100 O LYS A 75 -6.795 -4.876 -0.134 1.00 0.00 O ATOM 1101 CB LYS A 75 -9.159 -3.573 -2.000 1.00 0.00 C ATOM 1102 CG LYS A 75 -10.034 -2.420 -2.463 1.00 0.00 C ATOM 1103 CD LYS A 75 -11.358 -2.391 -1.718 1.00 0.00 C ATOM 1104 CE LYS A 75 -11.300 -1.463 -0.514 1.00 0.00 C ATOM 1105 NZ LYS A 75 -11.738 -0.082 -0.857 1.00 0.00 N ATOM 0 H LYS A 75 -7.333 -2.021 -1.290 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.549 -3.259 0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.288 -3.641 -2.652 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.713 -4.505 -2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.508 -1.478 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.220 -2.510 -3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.149 -2.064 -2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.614 -3.398 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.934 -1.858 0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.282 -1.435 -0.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.684 0.520 -0.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.118 0.305 -1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.718 -0.105 -1.204 1.00 0.00 H new ATOM 1119 N PRO A 76 -8.838 -5.711 0.322 1.00 0.00 N ATOM 1120 CA PRO A 76 -8.347 -7.013 0.782 1.00 0.00 C ATOM 1121 C PRO A 76 -7.779 -7.854 -0.356 1.00 0.00 C ATOM 1122 O PRO A 76 -8.425 -8.035 -1.390 1.00 0.00 O ATOM 1123 CB PRO A 76 -9.597 -7.677 1.365 1.00 0.00 C ATOM 1124 CG PRO A 76 -10.736 -7.030 0.654 1.00 0.00 C ATOM 1125 CD PRO A 76 -10.306 -5.615 0.386 1.00 0.00 C ATOM 0 HA PRO A 76 -7.529 -6.911 1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -9.587 -8.754 1.199 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -9.662 -7.521 2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -10.963 -7.552 -0.276 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -11.640 -7.055 1.262 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -10.725 -5.237 -0.547 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.630 -4.940 1.178 1.00 0.00 H new ATOM 1133 N LEU A 77 -6.569 -8.365 -0.161 1.00 0.00 N ATOM 1134 CA LEU A 77 -5.914 -9.188 -1.172 1.00 0.00 C ATOM 1135 C LEU A 77 -6.500 -10.596 -1.192 1.00 0.00 C ATOM 1136 O LEU A 77 -6.518 -11.302 -0.183 1.00 0.00 O ATOM 1137 CB LEU A 77 -4.408 -9.253 -0.907 1.00 0.00 C ATOM 1138 CG LEU A 77 -3.686 -10.490 -1.443 1.00 0.00 C ATOM 1139 CD1 LEU A 77 -3.822 -10.575 -2.955 1.00 0.00 C ATOM 1140 CD2 LEU A 77 -2.219 -10.467 -1.039 1.00 0.00 C ATOM 0 H LEU A 77 -6.021 -8.224 0.688 1.00 0.00 H new ATOM 0 HA LEU A 77 -6.086 -8.730 -2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.944 -8.368 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.246 -9.200 0.170 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.150 -11.375 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.302 -11.462 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.877 -10.638 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.385 -9.686 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.720 -11.354 -1.429 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.743 -9.575 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.141 -10.455 0.048 1.00 0.00 H new ATOM 1152 N PRO A 78 -6.989 -11.017 -2.367 1.00 0.00 N ATOM 1153 CA PRO A 78 -7.582 -12.346 -2.548 1.00 0.00 C ATOM 1154 C PRO A 78 -6.543 -13.460 -2.469 1.00 0.00 C ATOM 1155 O PRO A 78 -5.420 -13.309 -2.946 1.00 0.00 O ATOM 1156 CB PRO A 78 -8.186 -12.277 -3.952 1.00 0.00 C ATOM 1157 CG PRO A 78 -7.386 -11.238 -4.659 1.00 0.00 C ATOM 1158 CD PRO A 78 -6.999 -10.230 -3.611 1.00 0.00 C ATOM 0 HA PRO A 78 -8.307 -12.578 -1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -8.120 -13.240 -4.459 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.241 -12.007 -3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.503 -11.675 -5.125 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -7.968 -10.771 -5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.023 -9.791 -3.817 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -7.713 -9.408 -3.561 1.00 0.00 H new ATOM 1166 N GLY A 79 -6.928 -14.579 -1.863 1.00 0.00 N ATOM 1167 CA GLY A 79 -6.018 -15.702 -1.733 1.00 0.00 C ATOM 1168 C GLY A 79 -5.218 -15.655 -0.446 1.00 0.00 C ATOM 1169 O GLY A 79 -5.126 -16.651 0.272 1.00 0.00 O ATOM 0 H GLY A 79 -7.853 -14.728 -1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -6.586 -16.632 -1.770 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -5.334 -15.712 -2.582 1.00 0.00 H new ATOM 1173 N ALA A 80 -4.638 -14.496 -0.155 1.00 0.00 N ATOM 1174 CA ALA A 80 -3.842 -14.323 1.054 1.00 0.00 C ATOM 1175 C ALA A 80 -4.417 -15.133 2.211 1.00 0.00 C ATOM 1176 O ALA A 80 -5.634 -15.223 2.375 1.00 0.00 O ATOM 1177 CB ALA A 80 -3.762 -12.850 1.428 1.00 0.00 C ATOM 0 H ALA A 80 -4.704 -13.663 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.836 -14.691 0.852 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.165 -12.736 2.333 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.298 -12.293 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.766 -12.465 1.605 1.00 0.00 H new ATOM 1183 N THR A 81 -3.534 -15.724 3.011 1.00 0.00 N ATOM 1184 CA THR A 81 -3.955 -16.528 4.151 1.00 0.00 C ATOM 1185 C THR A 81 -3.262 -16.074 5.430 1.00 0.00 C ATOM 1186 O THR A 81 -2.035 -15.993 5.505 1.00 0.00 O ATOM 1187 CB THR A 81 -3.659 -18.023 3.924 1.00 0.00 C ATOM 1188 OG1 THR A 81 -4.166 -18.434 2.649 1.00 0.00 O ATOM 1189 CG2 THR A 81 -4.282 -18.871 5.021 1.00 0.00 C ATOM 0 H THR A 81 -2.523 -15.661 2.890 1.00 0.00 H new ATOM 0 HA THR A 81 -5.031 -16.389 4.255 1.00 0.00 H new ATOM 0 HB THR A 81 -2.579 -18.165 3.948 1.00 0.00 H new ATOM 0 HG1 THR A 81 -3.973 -19.385 2.511 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.059 -19.922 4.839 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.872 -18.575 5.987 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.362 -18.724 5.025 1.00 0.00 H new ATOM 1197 N PRO A 82 -4.063 -15.770 6.462 1.00 0.00 N ATOM 1198 CA PRO A 82 -5.524 -15.862 6.384 1.00 0.00 C ATOM 1199 C PRO A 82 -6.124 -14.794 5.477 1.00 0.00 C ATOM 1200 O PRO A 82 -6.998 -15.080 4.659 1.00 0.00 O ATOM 1201 CB PRO A 82 -5.970 -15.646 7.832 1.00 0.00 C ATOM 1202 CG PRO A 82 -4.871 -14.857 8.455 1.00 0.00 C ATOM 1203 CD PRO A 82 -3.604 -15.312 7.785 1.00 0.00 C ATOM 0 HA PRO A 82 -5.851 -16.811 5.960 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.918 -15.109 7.878 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -6.116 -16.596 8.347 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.027 -13.788 8.310 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -4.828 -15.030 9.530 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.880 -14.501 7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.120 -16.114 8.342 1.00 0.00 H new ATOM 1211 N ALA A 83 -5.650 -13.561 5.627 1.00 0.00 N ATOM 1212 CA ALA A 83 -6.138 -12.451 4.819 1.00 0.00 C ATOM 1213 C ALA A 83 -5.314 -11.191 5.061 1.00 0.00 C ATOM 1214 O ALA A 83 -5.176 -10.736 6.196 1.00 0.00 O ATOM 1215 CB ALA A 83 -7.607 -12.188 5.116 1.00 0.00 C ATOM 0 H ALA A 83 -4.928 -13.306 6.301 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.034 -12.725 3.769 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.958 -11.356 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.190 -13.079 4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -7.726 -11.940 6.171 1.00 0.00 H new ATOM 1221 N LYS A 84 -4.767 -10.632 3.987 1.00 0.00 N ATOM 1222 CA LYS A 84 -3.956 -9.424 4.082 1.00 0.00 C ATOM 1223 C LYS A 84 -4.596 -8.277 3.305 1.00 0.00 C ATOM 1224 O LYS A 84 -5.692 -8.418 2.762 1.00 0.00 O ATOM 1225 CB LYS A 84 -2.546 -9.689 3.551 1.00 0.00 C ATOM 1226 CG LYS A 84 -1.602 -10.265 4.592 1.00 0.00 C ATOM 1227 CD LYS A 84 -0.552 -11.162 3.958 1.00 0.00 C ATOM 1228 CE LYS A 84 -1.069 -12.581 3.774 1.00 0.00 C ATOM 1229 NZ LYS A 84 0.018 -13.520 3.381 1.00 0.00 N ATOM 0 H LYS A 84 -4.871 -10.997 3.040 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.895 -9.139 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.608 -10.378 2.708 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.129 -8.756 3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.112 -9.453 5.129 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.172 -10.834 5.326 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.258 -10.753 2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.341 -11.177 4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -1.527 -12.924 4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.848 -12.588 3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.396 -14.432 3.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.549 -13.121 2.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.661 -13.663 4.186 1.00 0.00 H new ATOM 1243 N ARG A 85 -3.904 -7.143 3.256 1.00 0.00 N ATOM 1244 CA ARG A 85 -4.405 -5.973 2.546 1.00 0.00 C ATOM 1245 C ARG A 85 -3.484 -5.605 1.386 1.00 0.00 C ATOM 1246 O ARG A 85 -2.261 -5.700 1.497 1.00 0.00 O ATOM 1247 CB ARG A 85 -4.536 -4.787 3.503 1.00 0.00 C ATOM 1248 CG ARG A 85 -5.653 -3.826 3.132 1.00 0.00 C ATOM 1249 CD ARG A 85 -6.965 -4.213 3.797 1.00 0.00 C ATOM 1250 NE ARG A 85 -7.821 -3.054 4.037 1.00 0.00 N ATOM 1251 CZ ARG A 85 -9.032 -3.134 4.575 1.00 0.00 C ATOM 1252 NH1 ARG A 85 -9.528 -4.312 4.928 1.00 0.00 N ATOM 1253 NH2 ARG A 85 -9.750 -2.034 4.762 1.00 0.00 N ATOM 0 H ARG A 85 -2.995 -7.010 3.700 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.388 -6.217 2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -4.711 -5.162 4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.592 -4.243 3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -5.378 -2.814 3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.781 -3.816 2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -7.493 -4.929 3.167 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.758 -4.713 4.743 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.469 -2.133 3.777 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.979 -5.160 4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.459 -4.370 5.341 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -9.372 -1.126 4.492 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.680 -2.096 5.175 1.00 0.00 H new ATOM 1267 N PHE A 86 -4.079 -5.186 0.275 1.00 0.00 N ATOM 1268 CA PHE A 86 -3.312 -4.805 -0.906 1.00 0.00 C ATOM 1269 C PHE A 86 -2.390 -3.629 -0.600 1.00 0.00 C ATOM 1270 O PHE A 86 -2.826 -2.479 -0.551 1.00 0.00 O ATOM 1271 CB PHE A 86 -4.254 -4.443 -2.056 1.00 0.00 C ATOM 1272 CG PHE A 86 -4.578 -5.603 -2.954 1.00 0.00 C ATOM 1273 CD1 PHE A 86 -3.567 -6.319 -3.575 1.00 0.00 C ATOM 1274 CD2 PHE A 86 -5.893 -5.978 -3.177 1.00 0.00 C ATOM 1275 CE1 PHE A 86 -3.862 -7.386 -4.402 1.00 0.00 C ATOM 1276 CE2 PHE A 86 -6.194 -7.045 -4.002 1.00 0.00 C ATOM 1277 CZ PHE A 86 -5.177 -7.750 -4.615 1.00 0.00 C ATOM 0 H PHE A 86 -5.090 -5.101 0.167 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.699 -5.657 -1.201 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.180 -4.043 -1.644 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.801 -3.649 -2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.537 -6.040 -3.411 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.692 -5.430 -2.700 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.065 -7.935 -4.881 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.223 -7.327 -4.167 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.410 -8.585 -5.260 1.00 0.00 H new ATOM 1287 N LYS A 87 -1.111 -3.927 -0.393 1.00 0.00 N ATOM 1288 CA LYS A 87 -0.124 -2.896 -0.092 1.00 0.00 C ATOM 1289 C LYS A 87 0.551 -2.400 -1.367 1.00 0.00 C ATOM 1290 O LYS A 87 1.470 -3.037 -1.883 1.00 0.00 O ATOM 1291 CB LYS A 87 0.928 -3.437 0.878 1.00 0.00 C ATOM 1292 CG LYS A 87 1.518 -2.375 1.790 1.00 0.00 C ATOM 1293 CD LYS A 87 0.729 -2.250 3.083 1.00 0.00 C ATOM 1294 CE LYS A 87 0.782 -0.834 3.634 1.00 0.00 C ATOM 1295 NZ LYS A 87 -0.275 -0.596 4.654 1.00 0.00 N ATOM 0 H LYS A 87 -0.734 -4.874 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.641 -2.057 0.374 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.478 -4.220 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.732 -3.901 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.554 -2.624 2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.527 -1.415 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.308 -2.534 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.128 -2.944 3.822 1.00 0.00 H new ATOM 0 HE2 LYS A 87 1.761 -0.653 4.077 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.665 -0.122 2.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.205 0.380 5.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.211 -0.744 4.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.149 -1.258 5.446 1.00 0.00 H new ATOM 1309 N LEU A 88 0.090 -1.260 -1.870 1.00 0.00 N ATOM 1310 CA LEU A 88 0.650 -0.678 -3.084 1.00 0.00 C ATOM 1311 C LEU A 88 1.053 0.775 -2.855 1.00 0.00 C ATOM 1312 O LEU A 88 0.455 1.474 -2.038 1.00 0.00 O ATOM 1313 CB LEU A 88 -0.361 -0.764 -4.229 1.00 0.00 C ATOM 1314 CG LEU A 88 -1.123 -2.083 -4.352 1.00 0.00 C ATOM 1315 CD1 LEU A 88 -2.146 -2.006 -5.475 1.00 0.00 C ATOM 1316 CD2 LEU A 88 -0.159 -3.237 -4.586 1.00 0.00 C ATOM 0 H LEU A 88 -0.670 -0.721 -1.456 1.00 0.00 H new ATOM 0 HA LEU A 88 1.541 -1.246 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.086 0.041 -4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 88 0.165 -0.582 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.653 -2.262 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.679 -2.954 -5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.856 -1.206 -5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.637 -1.803 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.720 -4.168 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.399 -3.064 -5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.535 -3.307 -3.749 1.00 0.00 H new ATOM 1328 N ASN A 89 2.071 1.224 -3.584 1.00 0.00 N ATOM 1329 CA ASN A 89 2.553 2.595 -3.461 1.00 0.00 C ATOM 1330 C ASN A 89 3.263 3.038 -4.736 1.00 0.00 C ATOM 1331 O ASN A 89 3.561 2.222 -5.609 1.00 0.00 O ATOM 1332 CB ASN A 89 3.501 2.719 -2.267 1.00 0.00 C ATOM 1333 CG ASN A 89 2.769 3.049 -0.980 1.00 0.00 C ATOM 1334 OD1 ASN A 89 1.580 3.369 -0.993 1.00 0.00 O ATOM 1335 ND2 ASN A 89 3.478 2.972 0.140 1.00 0.00 N ATOM 0 H ASN A 89 2.577 0.658 -4.265 1.00 0.00 H new ATOM 0 HA ASN A 89 1.692 3.244 -3.302 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.047 1.784 -2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.239 3.495 -2.471 1.00 0.00 H new ATOM 0 HD21 ASN A 89 3.040 3.182 1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.461 2.703 0.104 1.00 0.00 H new ATOM 1342 N TYR A 90 3.531 4.335 -4.837 1.00 0.00 N ATOM 1343 CA TYR A 90 4.205 4.887 -6.006 1.00 0.00 C ATOM 1344 C TYR A 90 5.627 4.347 -6.122 1.00 0.00 C ATOM 1345 O TYR A 90 6.379 4.335 -5.148 1.00 0.00 O ATOM 1346 CB TYR A 90 4.232 6.415 -5.931 1.00 0.00 C ATOM 1347 CG TYR A 90 2.938 7.066 -6.365 1.00 0.00 C ATOM 1348 CD1 TYR A 90 2.283 6.653 -7.519 1.00 0.00 C ATOM 1349 CD2 TYR A 90 2.370 8.093 -5.621 1.00 0.00 C ATOM 1350 CE1 TYR A 90 1.101 7.245 -7.920 1.00 0.00 C ATOM 1351 CE2 TYR A 90 1.188 8.690 -6.014 1.00 0.00 C ATOM 1352 CZ TYR A 90 0.557 8.262 -7.163 1.00 0.00 C ATOM 1353 OH TYR A 90 -0.620 8.855 -7.558 1.00 0.00 O ATOM 0 H TYR A 90 3.292 5.024 -4.124 1.00 0.00 H new ATOM 0 HA TYR A 90 3.648 4.583 -6.892 1.00 0.00 H new ATOM 0 HB2 TYR A 90 4.455 6.716 -4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 90 5.044 6.787 -6.557 1.00 0.00 H new ATOM 0 HD1 TYR A 90 2.705 5.856 -8.112 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.861 8.430 -4.720 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.606 6.914 -8.821 1.00 0.00 H new ATOM 0 HE2 TYR A 90 0.760 9.488 -5.425 1.00 0.00 H new ATOM 0 HH TYR A 90 -0.867 9.552 -6.915 1.00 0.00 H new ATOM 1363 N ALA A 91 5.989 3.902 -7.320 1.00 0.00 N ATOM 1364 CA ALA A 91 7.321 3.363 -7.565 1.00 0.00 C ATOM 1365 C ALA A 91 8.399 4.301 -7.034 1.00 0.00 C ATOM 1366 O ALA A 91 9.532 3.887 -6.787 1.00 0.00 O ATOM 1367 CB ALA A 91 7.523 3.112 -9.052 1.00 0.00 C ATOM 0 H ALA A 91 5.378 3.904 -8.137 1.00 0.00 H new ATOM 0 HA ALA A 91 7.406 2.416 -7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.522 2.710 -9.221 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.779 2.397 -9.405 1.00 0.00 H new ATOM 0 HB3 ALA A 91 7.413 4.049 -9.597 1.00 0.00 H new ATOM 1373 N THR A 92 8.040 5.570 -6.859 1.00 0.00 N ATOM 1374 CA THR A 92 8.977 6.567 -6.358 1.00 0.00 C ATOM 1375 C THR A 92 8.725 6.868 -4.885 1.00 0.00 C ATOM 1376 O THR A 92 8.756 8.024 -4.464 1.00 0.00 O ATOM 1377 CB THR A 92 8.884 7.878 -7.161 1.00 0.00 C ATOM 1378 OG1 THR A 92 9.963 8.749 -6.805 1.00 0.00 O ATOM 1379 CG2 THR A 92 7.557 8.576 -6.906 1.00 0.00 C ATOM 0 H THR A 92 7.107 5.931 -7.057 1.00 0.00 H new ATOM 0 HA THR A 92 9.976 6.148 -6.474 1.00 0.00 H new ATOM 0 HB THR A 92 8.950 7.634 -8.221 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.027 8.808 -5.829 1.00 0.00 H new ATOM 0 HG21 THR A 92 7.515 9.499 -7.484 1.00 0.00 H new ATOM 0 HG22 THR A 92 6.738 7.922 -7.206 1.00 0.00 H new ATOM 0 HG23 THR A 92 7.466 8.808 -5.845 1.00 0.00 H new ATOM 1387 N TYR A 93 8.476 5.821 -4.107 1.00 0.00 N ATOM 1388 CA TYR A 93 8.217 5.974 -2.680 1.00 0.00 C ATOM 1389 C TYR A 93 9.522 6.050 -1.894 1.00 0.00 C ATOM 1390 O TYR A 93 9.639 5.484 -0.807 1.00 0.00 O ATOM 1391 CB TYR A 93 7.367 4.810 -2.167 1.00 0.00 C ATOM 1392 CG TYR A 93 8.175 3.585 -1.803 1.00 0.00 C ATOM 1393 CD1 TYR A 93 9.395 3.326 -2.414 1.00 0.00 C ATOM 1394 CD2 TYR A 93 7.718 2.686 -0.846 1.00 0.00 C ATOM 1395 CE1 TYR A 93 10.136 2.207 -2.085 1.00 0.00 C ATOM 1396 CE2 TYR A 93 8.453 1.566 -0.510 1.00 0.00 C ATOM 1397 CZ TYR A 93 9.661 1.331 -1.132 1.00 0.00 C ATOM 1398 OH TYR A 93 10.396 0.216 -0.800 1.00 0.00 O ATOM 0 H TYR A 93 8.448 4.857 -4.440 1.00 0.00 H new ATOM 0 HA TYR A 93 7.671 6.906 -2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.806 5.138 -1.292 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.637 4.540 -2.930 1.00 0.00 H new ATOM 0 HD1 TYR A 93 9.771 4.011 -3.159 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.772 2.867 -0.357 1.00 0.00 H new ATOM 0 HE1 TYR A 93 11.082 2.020 -2.572 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.084 0.878 0.236 1.00 0.00 H new ATOM 0 HH TYR A 93 9.921 -0.296 -0.112 1.00 0.00 H new ATOM 1408 N SER A 94 10.501 6.754 -2.453 1.00 0.00 N ATOM 1409 CA SER A 94 11.800 6.902 -1.808 1.00 0.00 C ATOM 1410 C SER A 94 12.351 8.311 -2.012 1.00 0.00 C ATOM 1411 O SER A 94 12.040 8.973 -3.001 1.00 0.00 O ATOM 1412 CB SER A 94 12.788 5.872 -2.358 1.00 0.00 C ATOM 1413 OG SER A 94 13.130 6.161 -3.702 1.00 0.00 O ATOM 0 H SER A 94 10.419 7.231 -3.351 1.00 0.00 H new ATOM 0 HA SER A 94 11.668 6.733 -0.739 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.689 5.863 -1.744 1.00 0.00 H new ATOM 0 HB3 SER A 94 12.351 4.875 -2.297 1.00 0.00 H new ATOM 0 HG SER A 94 13.764 5.489 -4.030 1.00 0.00 H new ATOM 1419 N GLY A 95 13.171 8.762 -1.068 1.00 0.00 N ATOM 1420 CA GLY A 95 13.752 10.088 -1.162 1.00 0.00 C ATOM 1421 C GLY A 95 14.567 10.453 0.063 1.00 0.00 C ATOM 1422 O GLY A 95 14.248 10.061 1.186 1.00 0.00 O ATOM 0 H GLY A 95 13.443 8.233 -0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 95 14.387 10.141 -2.046 1.00 0.00 H new ATOM 0 HA3 GLY A 95 12.957 10.821 -1.297 1.00 0.00 H new ATOM 1426 N PRO A 96 15.647 11.220 -0.146 1.00 0.00 N ATOM 1427 CA PRO A 96 16.533 11.653 0.939 1.00 0.00 C ATOM 1428 C PRO A 96 15.867 12.670 1.859 1.00 0.00 C ATOM 1429 O PRO A 96 15.628 13.812 1.467 1.00 0.00 O ATOM 1430 CB PRO A 96 17.712 12.290 0.200 1.00 0.00 C ATOM 1431 CG PRO A 96 17.149 12.729 -1.107 1.00 0.00 C ATOM 1432 CD PRO A 96 16.087 11.724 -1.458 1.00 0.00 C ATOM 0 HA PRO A 96 16.817 10.826 1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 96 18.120 13.133 0.758 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.524 11.576 0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 96 16.728 13.732 -1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 96 17.923 12.763 -1.874 1.00 0.00 H new ATOM 0 HD2 PRO A 96 15.266 12.183 -2.008 1.00 0.00 H new ATOM 0 HD3 PRO A 96 16.482 10.924 -2.084 1.00 0.00 H new ATOM 1440 N SER A 97 15.571 12.249 3.084 1.00 0.00 N ATOM 1441 CA SER A 97 14.930 13.123 4.059 1.00 0.00 C ATOM 1442 C SER A 97 13.909 14.033 3.384 1.00 0.00 C ATOM 1443 O SER A 97 13.879 15.240 3.627 1.00 0.00 O ATOM 1444 CB SER A 97 15.979 13.966 4.787 1.00 0.00 C ATOM 1445 OG SER A 97 16.708 14.770 3.876 1.00 0.00 O ATOM 0 H SER A 97 15.765 11.308 3.425 1.00 0.00 H new ATOM 0 HA SER A 97 14.410 12.497 4.784 1.00 0.00 H new ATOM 0 HB2 SER A 97 15.491 14.600 5.527 1.00 0.00 H new ATOM 0 HB3 SER A 97 16.663 13.313 5.329 1.00 0.00 H new ATOM 0 HG SER A 97 17.371 15.300 4.366 1.00 0.00 H new ATOM 1451 N SER A 98 13.072 13.446 2.534 1.00 0.00 N ATOM 1452 CA SER A 98 12.051 14.203 1.820 1.00 0.00 C ATOM 1453 C SER A 98 10.757 13.402 1.711 1.00 0.00 C ATOM 1454 O SER A 98 10.701 12.382 1.026 1.00 0.00 O ATOM 1455 CB SER A 98 12.549 14.581 0.424 1.00 0.00 C ATOM 1456 OG SER A 98 11.523 15.198 -0.334 1.00 0.00 O ATOM 0 H SER A 98 13.081 12.448 2.323 1.00 0.00 H new ATOM 0 HA SER A 98 11.848 15.113 2.384 1.00 0.00 H new ATOM 0 HB2 SER A 98 13.400 15.257 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 98 12.901 13.689 -0.094 1.00 0.00 H new ATOM 0 HG SER A 98 11.867 15.431 -1.221 1.00 0.00 H new ATOM 1462 N GLY A 99 9.717 13.872 2.394 1.00 0.00 N ATOM 1463 CA GLY A 99 8.438 13.188 2.361 1.00 0.00 C ATOM 1464 C GLY A 99 7.309 14.092 1.905 1.00 0.00 C ATOM 1465 O GLY A 99 7.428 15.316 1.951 1.00 0.00 O ATOM 0 H GLY A 99 9.738 14.714 2.969 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.505 12.330 1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 99 8.211 12.801 3.354 1.00 0.00 H new TER 1469 GLY A 99