USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 848 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 86 TYR OH : rot -111:sc= 0.179 USER MOD Set 1.2: A 90 HIS : no HD1:sc= -2.87! C(o=-2.7!,f=-3.7!) USER MOD Set 2.1: A 55 ASN : amide:sc= 2.33 K(o=3.5,f=-11!) USER MOD Set 2.2: A 57 LYS NZ :NH3+ -146:sc= 1.15 (180deg=-0.269) USER MOD Set 3.1: A 44 SER OG : rot 120:sc= -0.097 USER MOD Set 3.2: A 58 HIS : no HD1:sc= 0.32 K(o=0.22,f=-4!) USER MOD Set 4.1: A 6 TYR OH : rot 39:sc= 0.363 USER MOD Set 4.2: A 41 TYR OH : rot 176:sc= 0.297 USER MOD Set 5.1: A 34 SER OG : rot 180:sc= 0.91 USER MOD Set 5.2: A 36 THR OG1 : rot 43:sc= 0.523 USER MOD Set 6.1: A 28 THR OG1 : rot 100:sc= 1.66 USER MOD Set 6.2: A 100 ASN : amide:sc= 0.598 K(o=2.3,f=0.9) USER MOD Single : A 1 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.06) USER MOD Single : A 1 GLN N :NH3+ -108:sc= -0.0293 (180deg=-0.0893) USER MOD Single : A 9 LYS NZ :NH3+ 173:sc= -0.0775 (180deg=-0.383) USER MOD Single : A 11 THR OG1 : rot -79:sc= 1.21 USER MOD Single : A 15 SER OG : rot -94:sc= 0.822 USER MOD Single : A 21 ASN : amide:sc= -2.2! K(o=-2.2!,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0245 K(o=-0.024,f=-1.1) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0139) USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 172:sc=-0.000984 (180deg=-0.0871) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -173:sc=-0.00432 (180deg=-0.0823) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc=-0.00965 (180deg=-0.153) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= -0.996! USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 120:sc= 1.22 USER MOD Single : A 76 GLN : amide:sc= -0.691 K(o=-0.69,f=-3.2!) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0523 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0.162 X(o=0.16,f=-0.0059) USER MOD Single : A 82 GLN : amide:sc= -1.48! C(o=-1.5!,f=-5.9!) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.646 USER MOD Single : A 88 SER OG : rot -38:sc= 0.499 USER MOD Single : A 89 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.1) USER MOD Single : A 95 CYS SG : rot -24:sc= 0.179 USER MOD Single : A 96 HIS : no HD1:sc= -2.02! C(o=-2!,f=-3.1!) USER MOD Single : A 99 THR OG1 : rot 19:sc= 0.0603 USER MOD Single : A 102 CYS SG : rot -48:sc=-0.00438 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ -167:sc= -0.0339 (180deg=-0.226) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 7.180 -8.505 -12.909 1.00 0.00 N ATOM 2 CA GLN A 1 6.046 -7.556 -12.966 1.00 0.00 C ATOM 3 C GLN A 1 6.108 -6.566 -11.810 1.00 0.00 C ATOM 4 O GLN A 1 5.117 -6.335 -11.115 1.00 0.00 O ATOM 5 CB GLN A 1 4.718 -8.314 -12.934 1.00 0.00 C ATOM 6 CG GLN A 1 4.420 -9.100 -14.202 1.00 0.00 C ATOM 7 CD GLN A 1 4.157 -8.203 -15.397 1.00 0.00 C ATOM 8 OE1 GLN A 1 3.018 -7.801 -15.646 1.00 0.00 O ATOM 9 NE2 GLN A 1 5.199 -7.894 -16.155 1.00 0.00 N ATOM 0 H1 GLN A 1 7.855 -8.285 -13.669 1.00 0.00 H new ATOM 0 H2 GLN A 1 7.656 -8.422 -11.988 1.00 0.00 H new ATOM 0 H3 GLN A 1 6.827 -9.476 -13.029 1.00 0.00 H new ATOM 0 HA GLN A 1 6.116 -7.000 -13.901 1.00 0.00 H new ATOM 0 HB2 GLN A 1 4.724 -9.000 -12.087 1.00 0.00 H new ATOM 0 HB3 GLN A 1 3.910 -7.603 -12.762 1.00 0.00 H new ATOM 0 HG2 GLN A 1 5.261 -9.757 -14.424 1.00 0.00 H new ATOM 0 HG3 GLN A 1 3.553 -9.738 -14.034 1.00 0.00 H new ATOM 0 HE21 GLN A 1 6.126 -8.246 -15.916 1.00 0.00 H new ATOM 0 HE22 GLN A 1 5.074 -7.304 -16.978 1.00 0.00 H new ATOM 20 N ALA A 2 7.282 -5.992 -11.598 1.00 0.00 N ATOM 21 CA ALA A 2 7.458 -4.975 -10.574 1.00 0.00 C ATOM 22 C ALA A 2 7.083 -3.610 -11.128 1.00 0.00 C ATOM 23 O ALA A 2 7.884 -2.952 -11.796 1.00 0.00 O ATOM 24 CB ALA A 2 8.889 -4.979 -10.056 1.00 0.00 C ATOM 0 H ALA A 2 8.128 -6.214 -12.123 1.00 0.00 H new ATOM 0 HA ALA A 2 6.799 -5.200 -9.736 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.001 -4.211 -9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.118 -5.955 -9.628 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.574 -4.774 -10.878 1.00 0.00 H new ATOM 30 N GLU A 3 5.852 -3.204 -10.868 1.00 0.00 N ATOM 31 CA GLU A 3 5.340 -1.941 -11.370 1.00 0.00 C ATOM 32 C GLU A 3 5.696 -0.817 -10.406 1.00 0.00 C ATOM 33 O GLU A 3 6.339 -1.059 -9.386 1.00 0.00 O ATOM 34 CB GLU A 3 3.821 -2.023 -11.550 1.00 0.00 C ATOM 35 CG GLU A 3 3.362 -3.236 -12.350 1.00 0.00 C ATOM 36 CD GLU A 3 3.909 -3.257 -13.765 1.00 0.00 C ATOM 37 OE1 GLU A 3 5.020 -3.783 -13.973 1.00 0.00 O ATOM 38 OE2 GLU A 3 3.221 -2.759 -14.676 1.00 0.00 O ATOM 0 H GLU A 3 5.185 -3.735 -10.308 1.00 0.00 H new ATOM 0 HA GLU A 3 5.796 -1.733 -12.338 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.349 -2.047 -10.568 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.474 -1.118 -12.049 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.673 -4.144 -11.833 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.273 -3.248 -12.388 1.00 0.00 H new ATOM 45 N GLU A 4 5.279 0.403 -10.728 1.00 0.00 N ATOM 46 CA GLU A 4 5.529 1.551 -9.861 1.00 0.00 C ATOM 47 C GLU A 4 4.968 1.291 -8.468 1.00 0.00 C ATOM 48 O GLU A 4 5.645 1.478 -7.461 1.00 0.00 O ATOM 49 CB GLU A 4 4.878 2.810 -10.438 1.00 0.00 C ATOM 50 CG GLU A 4 5.267 3.109 -11.874 1.00 0.00 C ATOM 51 CD GLU A 4 6.760 3.273 -12.051 1.00 0.00 C ATOM 52 OE1 GLU A 4 7.305 4.321 -11.640 1.00 0.00 O ATOM 53 OE2 GLU A 4 7.394 2.364 -12.621 1.00 0.00 O ATOM 0 H GLU A 4 4.767 0.623 -11.582 1.00 0.00 H new ATOM 0 HA GLU A 4 6.607 1.701 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.795 2.704 -10.381 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.148 3.663 -9.815 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.915 2.302 -12.517 1.00 0.00 H new ATOM 0 HG3 GLU A 4 4.764 4.019 -12.201 1.00 0.00 H new ATOM 60 N TRP A 5 3.725 0.838 -8.436 1.00 0.00 N ATOM 61 CA TRP A 5 3.028 0.587 -7.187 1.00 0.00 C ATOM 62 C TRP A 5 3.258 -0.842 -6.701 1.00 0.00 C ATOM 63 O TRP A 5 3.525 -1.070 -5.521 1.00 0.00 O ATOM 64 CB TRP A 5 1.529 0.878 -7.351 1.00 0.00 C ATOM 65 CG TRP A 5 0.966 0.442 -8.672 1.00 0.00 C ATOM 66 CD1 TRP A 5 1.009 1.140 -9.847 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.271 -0.780 -8.958 1.00 0.00 C ATOM 68 NE1 TRP A 5 0.402 0.422 -10.845 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.064 -0.756 -10.326 1.00 0.00 C ATOM 70 CE3 TRP A 5 -0.101 -1.890 -8.196 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.742 -1.801 -10.943 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.775 -2.923 -8.812 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.091 -2.872 -10.173 1.00 0.00 C ATOM 0 H TRP A 5 3.174 0.635 -9.270 1.00 0.00 H new ATOM 0 HA TRP A 5 3.432 1.258 -6.429 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.982 0.378 -6.551 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.361 1.948 -7.231 1.00 0.00 H new ATOM 0 HD1 TRP A 5 1.456 2.115 -9.971 1.00 0.00 H new ATOM 0 HE1 TRP A 5 0.312 0.718 -11.817 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.135 -1.938 -7.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -0.984 -1.766 -11.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.064 -3.787 -8.233 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.622 -3.697 -10.624 1.00 0.00 H new ATOM 84 N TYR A 6 3.166 -1.796 -7.620 1.00 0.00 N ATOM 85 CA TYR A 6 3.273 -3.211 -7.281 1.00 0.00 C ATOM 86 C TYR A 6 4.738 -3.623 -7.174 1.00 0.00 C ATOM 87 O TYR A 6 5.329 -4.093 -8.146 1.00 0.00 O ATOM 88 CB TYR A 6 2.559 -4.054 -8.350 1.00 0.00 C ATOM 89 CG TYR A 6 2.219 -5.478 -7.938 1.00 0.00 C ATOM 90 CD1 TYR A 6 3.213 -6.401 -7.640 1.00 0.00 C ATOM 91 CD2 TYR A 6 0.896 -5.907 -7.887 1.00 0.00 C ATOM 92 CE1 TYR A 6 2.903 -7.705 -7.305 1.00 0.00 C ATOM 93 CE2 TYR A 6 0.576 -7.207 -7.543 1.00 0.00 C ATOM 94 CZ TYR A 6 1.587 -8.105 -7.255 1.00 0.00 C ATOM 95 OH TYR A 6 1.277 -9.410 -6.931 1.00 0.00 O ATOM 0 H TYR A 6 3.017 -1.614 -8.612 1.00 0.00 H new ATOM 0 HA TYR A 6 2.797 -3.382 -6.315 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.637 -3.546 -8.633 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.188 -4.091 -9.239 1.00 0.00 H new ATOM 0 HD1 TYR A 6 4.248 -6.094 -7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 6 0.104 -5.211 -8.121 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.691 -8.409 -7.083 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.457 -7.519 -7.499 1.00 0.00 H new ATOM 0 HH TYR A 6 1.880 -9.724 -6.225 1.00 0.00 H new ATOM 105 N PHE A 7 5.314 -3.434 -5.994 1.00 0.00 N ATOM 106 CA PHE A 7 6.691 -3.843 -5.733 1.00 0.00 C ATOM 107 C PHE A 7 6.807 -5.361 -5.692 1.00 0.00 C ATOM 108 O PHE A 7 7.840 -5.934 -6.048 1.00 0.00 O ATOM 109 CB PHE A 7 7.182 -3.245 -4.410 1.00 0.00 C ATOM 110 CG PHE A 7 7.749 -1.862 -4.544 1.00 0.00 C ATOM 111 CD1 PHE A 7 6.944 -0.792 -4.892 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.100 -1.636 -4.325 1.00 0.00 C ATOM 113 CE1 PHE A 7 7.473 0.478 -5.018 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.634 -0.370 -4.451 1.00 0.00 C ATOM 115 CZ PHE A 7 8.820 0.687 -4.799 1.00 0.00 C ATOM 0 H PHE A 7 4.848 -2.998 -5.198 1.00 0.00 H new ATOM 0 HA PHE A 7 7.315 -3.470 -6.545 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.353 -3.221 -3.703 1.00 0.00 H new ATOM 0 HB3 PHE A 7 7.943 -3.900 -3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.890 -0.951 -5.067 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.742 -2.461 -4.053 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.834 1.306 -5.287 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.687 -0.207 -4.277 1.00 0.00 H new ATOM 0 HZ PHE A 7 9.236 1.678 -4.900 1.00 0.00 H new ATOM 125 N GLY A 8 5.743 -6.007 -5.249 1.00 0.00 N ATOM 126 CA GLY A 8 5.730 -7.449 -5.194 1.00 0.00 C ATOM 127 C GLY A 8 6.057 -7.974 -3.817 1.00 0.00 C ATOM 128 O GLY A 8 5.760 -7.330 -2.811 1.00 0.00 O ATOM 0 H GLY A 8 4.887 -5.557 -4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.748 -7.813 -5.495 1.00 0.00 H new ATOM 0 HA3 GLY A 8 6.450 -7.844 -5.911 1.00 0.00 H new ATOM 132 N LYS A 9 6.686 -9.131 -3.774 1.00 0.00 N ATOM 133 CA LYS A 9 6.966 -9.814 -2.518 1.00 0.00 C ATOM 134 C LYS A 9 8.243 -9.283 -1.869 1.00 0.00 C ATOM 135 O LYS A 9 9.254 -9.982 -1.806 1.00 0.00 O ATOM 136 CB LYS A 9 7.091 -11.317 -2.773 1.00 0.00 C ATOM 137 CG LYS A 9 5.865 -11.920 -3.441 1.00 0.00 C ATOM 138 CD LYS A 9 6.174 -13.268 -4.067 1.00 0.00 C ATOM 139 CE LYS A 9 5.003 -13.787 -4.887 1.00 0.00 C ATOM 140 NZ LYS A 9 4.523 -12.786 -5.883 1.00 0.00 N ATOM 0 H LYS A 9 7.018 -9.626 -4.602 1.00 0.00 H new ATOM 0 HA LYS A 9 6.141 -9.625 -1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.964 -11.500 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.266 -11.826 -1.825 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.069 -12.034 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.496 -11.239 -4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.054 -13.181 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.417 -13.986 -3.284 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.301 -14.698 -5.405 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.184 -14.053 -4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.806 -13.223 -6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.104 -11.974 -5.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.323 -12.462 -6.463 1.00 0.00 H new ATOM 154 N ILE A 10 8.196 -8.044 -1.399 1.00 0.00 N ATOM 155 CA ILE A 10 9.326 -7.457 -0.688 1.00 0.00 C ATOM 156 C ILE A 10 9.133 -7.621 0.816 1.00 0.00 C ATOM 157 O ILE A 10 8.000 -7.658 1.309 1.00 0.00 O ATOM 158 CB ILE A 10 9.518 -5.957 -1.021 1.00 0.00 C ATOM 159 CG1 ILE A 10 8.292 -5.142 -0.602 1.00 0.00 C ATOM 160 CG2 ILE A 10 9.796 -5.772 -2.506 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.466 -3.646 -0.773 1.00 0.00 C ATOM 0 H ILE A 10 7.390 -7.426 -1.496 1.00 0.00 H new ATOM 0 HA ILE A 10 10.222 -7.985 -1.015 1.00 0.00 H new ATOM 0 HB ILE A 10 10.377 -5.593 -0.458 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.433 -5.468 -1.188 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.065 -5.355 0.443 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.928 -4.712 -2.722 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.703 -6.313 -2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.957 -6.158 -3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.557 -3.135 -0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.304 -3.305 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.662 -3.420 -1.821 1.00 0.00 H new ATOM 173 N THR A 11 10.236 -7.725 1.539 1.00 0.00 N ATOM 174 CA THR A 11 10.190 -7.952 2.974 1.00 0.00 C ATOM 175 C THR A 11 9.969 -6.643 3.726 1.00 0.00 C ATOM 176 O THR A 11 10.116 -5.560 3.159 1.00 0.00 O ATOM 177 CB THR A 11 11.487 -8.617 3.470 1.00 0.00 C ATOM 178 OG1 THR A 11 12.620 -7.795 3.156 1.00 0.00 O ATOM 179 CG2 THR A 11 11.665 -9.989 2.845 1.00 0.00 C ATOM 0 H THR A 11 11.178 -7.655 1.154 1.00 0.00 H new ATOM 0 HA THR A 11 9.352 -8.621 3.172 1.00 0.00 H new ATOM 0 HB THR A 11 11.414 -8.732 4.551 1.00 0.00 H new ATOM 0 HG1 THR A 11 12.862 -7.918 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.588 -10.439 3.211 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.821 -10.624 3.114 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.714 -9.891 1.761 1.00 0.00 H new ATOM 187 N ARG A 12 9.630 -6.749 5.011 1.00 0.00 N ATOM 188 CA ARG A 12 9.370 -5.571 5.833 1.00 0.00 C ATOM 189 C ARG A 12 10.669 -4.825 6.115 1.00 0.00 C ATOM 190 O ARG A 12 10.665 -3.641 6.446 1.00 0.00 O ATOM 191 CB ARG A 12 8.680 -5.968 7.141 1.00 0.00 C ATOM 192 CG ARG A 12 9.559 -6.753 8.093 1.00 0.00 C ATOM 193 CD ARG A 12 8.774 -7.254 9.295 1.00 0.00 C ATOM 194 NE ARG A 12 8.156 -6.165 10.055 1.00 0.00 N ATOM 195 CZ ARG A 12 7.772 -6.266 11.330 1.00 0.00 C ATOM 196 NH1 ARG A 12 7.942 -7.409 11.984 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.216 -5.224 11.944 1.00 0.00 N ATOM 0 H ARG A 12 9.530 -7.637 5.503 1.00 0.00 H new ATOM 0 HA ARG A 12 8.702 -4.907 5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.334 -5.065 7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.796 -6.562 6.907 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.000 -7.600 7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.382 -6.124 8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.999 -7.942 8.958 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.439 -7.818 9.949 1.00 0.00 H new ATOM 0 HE ARG A 12 8.010 -5.274 9.581 1.00 0.00 H new ATOM 0 HH11 ARG A 12 8.365 -8.208 11.512 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.649 -7.488 12.958 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.083 -4.347 11.441 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.923 -5.303 12.918 1.00 0.00 H new ATOM 211 N ARG A 13 11.784 -5.531 5.977 1.00 0.00 N ATOM 212 CA ARG A 13 13.097 -4.915 6.094 1.00 0.00 C ATOM 213 C ARG A 13 13.287 -3.921 4.957 1.00 0.00 C ATOM 214 O ARG A 13 13.747 -2.793 5.159 1.00 0.00 O ATOM 215 CB ARG A 13 14.184 -5.993 6.050 1.00 0.00 C ATOM 216 CG ARG A 13 15.597 -5.453 6.188 1.00 0.00 C ATOM 217 CD ARG A 13 15.815 -4.785 7.535 1.00 0.00 C ATOM 218 NE ARG A 13 17.149 -4.201 7.644 1.00 0.00 N ATOM 219 CZ ARG A 13 17.392 -2.984 8.130 1.00 0.00 C ATOM 220 NH1 ARG A 13 16.392 -2.222 8.560 1.00 0.00 N ATOM 221 NH2 ARG A 13 18.636 -2.526 8.184 1.00 0.00 N ATOM 0 H ARG A 13 11.804 -6.532 5.784 1.00 0.00 H new ATOM 0 HA ARG A 13 13.172 -4.388 7.045 1.00 0.00 H new ATOM 0 HB2 ARG A 13 14.001 -6.711 6.849 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.104 -6.536 5.108 1.00 0.00 H new ATOM 0 HG2 ARG A 13 16.311 -6.267 6.066 1.00 0.00 H new ATOM 0 HG3 ARG A 13 15.792 -4.736 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.065 -4.007 7.680 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.673 -5.517 8.330 1.00 0.00 H new ATOM 0 HE ARG A 13 17.943 -4.758 7.329 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.433 -2.568 8.519 1.00 0.00 H new ATOM 0 HH12 ARG A 13 16.583 -1.291 8.931 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.408 -3.105 7.853 1.00 0.00 H new ATOM 0 HH22 ARG A 13 18.821 -1.594 8.556 1.00 0.00 H new ATOM 235 N GLU A 14 12.912 -4.351 3.764 1.00 0.00 N ATOM 236 CA GLU A 14 12.988 -3.510 2.582 1.00 0.00 C ATOM 237 C GLU A 14 11.943 -2.404 2.640 1.00 0.00 C ATOM 238 O GLU A 14 12.271 -1.230 2.495 1.00 0.00 O ATOM 239 CB GLU A 14 12.778 -4.356 1.329 1.00 0.00 C ATOM 240 CG GLU A 14 13.859 -5.403 1.127 1.00 0.00 C ATOM 241 CD GLU A 14 13.465 -6.469 0.128 1.00 0.00 C ATOM 242 OE1 GLU A 14 12.763 -7.427 0.521 1.00 0.00 O ATOM 243 OE2 GLU A 14 13.867 -6.370 -1.045 1.00 0.00 O ATOM 0 H GLU A 14 12.548 -5.288 3.588 1.00 0.00 H new ATOM 0 HA GLU A 14 13.976 -3.051 2.547 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.809 -4.851 1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.747 -3.702 0.458 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.773 -4.914 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.085 -5.874 2.084 1.00 0.00 H new ATOM 250 N SER A 15 10.696 -2.796 2.875 1.00 0.00 N ATOM 251 CA SER A 15 9.567 -1.868 2.899 1.00 0.00 C ATOM 252 C SER A 15 9.831 -0.684 3.828 1.00 0.00 C ATOM 253 O SER A 15 10.001 0.452 3.371 1.00 0.00 O ATOM 254 CB SER A 15 8.300 -2.613 3.340 1.00 0.00 C ATOM 255 OG SER A 15 7.182 -1.749 3.423 1.00 0.00 O ATOM 0 H SER A 15 10.437 -3.766 3.055 1.00 0.00 H new ATOM 0 HA SER A 15 9.430 -1.472 1.893 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.087 -3.416 2.634 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.472 -3.079 4.310 1.00 0.00 H new ATOM 0 HG SER A 15 7.087 -1.424 4.343 1.00 0.00 H new ATOM 261 N GLU A 16 9.882 -0.955 5.127 1.00 0.00 N ATOM 262 CA GLU A 16 10.030 0.079 6.127 1.00 0.00 C ATOM 263 C GLU A 16 11.303 0.906 5.942 1.00 0.00 C ATOM 264 O GLU A 16 11.329 2.076 6.307 1.00 0.00 O ATOM 265 CB GLU A 16 10.016 -0.560 7.506 1.00 0.00 C ATOM 266 CG GLU A 16 8.644 -1.051 7.961 1.00 0.00 C ATOM 267 CD GLU A 16 7.779 -1.653 6.867 1.00 0.00 C ATOM 268 OE1 GLU A 16 7.068 -0.901 6.167 1.00 0.00 O ATOM 269 OE2 GLU A 16 7.787 -2.890 6.723 1.00 0.00 O ATOM 0 H GLU A 16 9.821 -1.899 5.510 1.00 0.00 H new ATOM 0 HA GLU A 16 9.193 0.769 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.709 -1.401 7.510 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.388 0.163 8.232 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.783 -1.797 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.107 -0.215 8.409 1.00 0.00 H new ATOM 276 N ARG A 17 12.357 0.317 5.382 1.00 0.00 N ATOM 277 CA ARG A 17 13.605 1.052 5.195 1.00 0.00 C ATOM 278 C ARG A 17 13.403 2.261 4.280 1.00 0.00 C ATOM 279 O ARG A 17 13.677 3.392 4.678 1.00 0.00 O ATOM 280 CB ARG A 17 14.698 0.144 4.635 1.00 0.00 C ATOM 281 CG ARG A 17 16.063 0.814 4.558 1.00 0.00 C ATOM 282 CD ARG A 17 16.481 1.377 5.910 1.00 0.00 C ATOM 283 NE ARG A 17 17.858 1.871 5.901 1.00 0.00 N ATOM 284 CZ ARG A 17 18.291 2.906 6.622 1.00 0.00 C ATOM 285 NH1 ARG A 17 17.451 3.605 7.376 1.00 0.00 N ATOM 286 NH2 ARG A 17 19.570 3.252 6.579 1.00 0.00 N ATOM 0 H ARG A 17 12.374 -0.649 5.055 1.00 0.00 H new ATOM 0 HA ARG A 17 13.922 1.412 6.174 1.00 0.00 H new ATOM 0 HB2 ARG A 17 14.774 -0.747 5.258 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.408 -0.188 3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.806 0.093 4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 17 16.036 1.616 3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 17 15.808 2.188 6.188 1.00 0.00 H new ATOM 0 HD3 ARG A 17 16.379 0.603 6.671 1.00 0.00 H new ATOM 0 HE ARG A 17 18.532 1.392 5.304 1.00 0.00 H new ATOM 0 HH11 ARG A 17 16.463 3.352 7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 17 17.793 4.395 7.923 1.00 0.00 H new ATOM 0 HH21 ARG A 17 20.221 2.727 5.995 1.00 0.00 H new ATOM 0 HH22 ARG A 17 19.903 4.043 7.130 1.00 0.00 H new ATOM 300 N LEU A 18 12.932 2.018 3.061 1.00 0.00 N ATOM 301 CA LEU A 18 12.668 3.082 2.114 1.00 0.00 C ATOM 302 C LEU A 18 11.562 4.020 2.598 1.00 0.00 C ATOM 303 O LEU A 18 11.620 5.231 2.379 1.00 0.00 O ATOM 304 CB LEU A 18 12.299 2.493 0.752 1.00 0.00 C ATOM 305 CG LEU A 18 13.470 1.856 0.012 1.00 0.00 C ATOM 306 CD1 LEU A 18 13.771 0.466 0.525 1.00 0.00 C ATOM 307 CD2 LEU A 18 13.231 1.837 -1.487 1.00 0.00 C ATOM 0 H LEU A 18 12.726 1.083 2.709 1.00 0.00 H new ATOM 0 HA LEU A 18 13.580 3.672 2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.520 1.743 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.875 3.281 0.130 1.00 0.00 H new ATOM 0 HG LEU A 18 14.345 2.475 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 18 14.612 0.048 -0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 18 14.023 0.516 1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 18 12.896 -0.169 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.084 1.377 -1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 18 12.330 1.263 -1.705 1.00 0.00 H new ATOM 0 HD23 LEU A 18 13.107 2.858 -1.849 1.00 0.00 H new ATOM 319 N LEU A 19 10.558 3.457 3.262 1.00 0.00 N ATOM 320 CA LEU A 19 9.416 4.240 3.720 1.00 0.00 C ATOM 321 C LEU A 19 9.796 5.172 4.865 1.00 0.00 C ATOM 322 O LEU A 19 9.362 6.325 4.900 1.00 0.00 O ATOM 323 CB LEU A 19 8.271 3.320 4.144 1.00 0.00 C ATOM 324 CG LEU A 19 7.646 2.510 3.007 1.00 0.00 C ATOM 325 CD1 LEU A 19 6.555 1.607 3.547 1.00 0.00 C ATOM 326 CD2 LEU A 19 7.088 3.435 1.934 1.00 0.00 C ATOM 0 H LEU A 19 10.512 2.465 3.494 1.00 0.00 H new ATOM 0 HA LEU A 19 9.085 4.857 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.640 2.630 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.493 3.923 4.612 1.00 0.00 H new ATOM 0 HG LEU A 19 8.421 1.891 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.117 1.035 2.728 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.980 0.922 4.281 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.782 2.213 4.020 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.648 2.840 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.324 4.079 2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.892 4.049 1.529 1.00 0.00 H new ATOM 338 N LEU A 20 10.612 4.684 5.793 1.00 0.00 N ATOM 339 CA LEU A 20 11.060 5.498 6.917 1.00 0.00 C ATOM 340 C LEU A 20 12.191 6.431 6.500 1.00 0.00 C ATOM 341 O LEU A 20 13.297 6.378 7.040 1.00 0.00 O ATOM 342 CB LEU A 20 11.500 4.629 8.103 1.00 0.00 C ATOM 343 CG LEU A 20 10.386 4.213 9.074 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.650 5.437 9.598 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.414 3.248 8.415 1.00 0.00 C ATOM 0 H LEU A 20 10.976 3.731 5.789 1.00 0.00 H new ATOM 0 HA LEU A 20 10.210 6.101 7.237 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.972 3.727 7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.262 5.171 8.664 1.00 0.00 H new ATOM 0 HG LEU A 20 10.850 3.699 9.916 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.864 5.123 10.285 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.351 6.087 10.122 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.207 5.980 8.763 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.637 2.972 9.127 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.958 3.726 7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.949 2.353 8.097 1.00 0.00 H new ATOM 357 N ASN A 21 11.910 7.260 5.511 1.00 0.00 N ATOM 358 CA ASN A 21 12.810 8.322 5.092 1.00 0.00 C ATOM 359 C ASN A 21 12.089 9.651 5.226 1.00 0.00 C ATOM 360 O ASN A 21 11.058 9.865 4.592 1.00 0.00 O ATOM 361 CB ASN A 21 13.281 8.130 3.640 1.00 0.00 C ATOM 362 CG ASN A 21 14.457 7.173 3.497 1.00 0.00 C ATOM 363 OD1 ASN A 21 15.303 7.342 2.617 1.00 0.00 O ATOM 364 ND2 ASN A 21 14.532 6.170 4.352 1.00 0.00 N ATOM 0 H ASN A 21 11.045 7.216 4.972 1.00 0.00 H new ATOM 0 HA ASN A 21 13.694 8.299 5.729 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.448 7.759 3.044 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.561 9.099 3.227 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.306 5.508 4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.816 6.057 5.070 1.00 0.00 H new ATOM 371 N PRO A 22 12.615 10.561 6.061 1.00 0.00 N ATOM 372 CA PRO A 22 11.979 11.859 6.347 1.00 0.00 C ATOM 373 C PRO A 22 11.803 12.731 5.102 1.00 0.00 C ATOM 374 O PRO A 22 11.109 13.748 5.138 1.00 0.00 O ATOM 375 CB PRO A 22 12.946 12.530 7.329 1.00 0.00 C ATOM 376 CG PRO A 22 13.749 11.413 7.903 1.00 0.00 C ATOM 377 CD PRO A 22 13.870 10.394 6.807 1.00 0.00 C ATOM 0 HA PRO A 22 10.970 11.724 6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.583 13.255 6.822 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.407 13.069 8.108 1.00 0.00 H new ATOM 0 HG2 PRO A 22 14.731 11.761 8.224 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.259 10.989 8.780 1.00 0.00 H new ATOM 0 HD2 PRO A 22 14.741 10.579 6.178 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.972 9.384 7.204 1.00 0.00 H new ATOM 385 N GLU A 23 12.439 12.335 4.011 1.00 0.00 N ATOM 386 CA GLU A 23 12.331 13.057 2.753 1.00 0.00 C ATOM 387 C GLU A 23 11.028 12.710 2.034 1.00 0.00 C ATOM 388 O GLU A 23 10.580 13.443 1.152 1.00 0.00 O ATOM 389 CB GLU A 23 13.531 12.734 1.871 1.00 0.00 C ATOM 390 CG GLU A 23 14.852 13.069 2.535 1.00 0.00 C ATOM 391 CD GLU A 23 16.038 12.544 1.763 1.00 0.00 C ATOM 392 OE1 GLU A 23 16.413 11.373 1.970 1.00 0.00 O ATOM 393 OE2 GLU A 23 16.601 13.299 0.944 1.00 0.00 O ATOM 0 H GLU A 23 13.040 11.512 3.972 1.00 0.00 H new ATOM 0 HA GLU A 23 12.321 14.126 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.515 11.674 1.617 1.00 0.00 H new ATOM 0 HB3 GLU A 23 13.449 13.287 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.939 14.151 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.865 12.652 3.542 1.00 0.00 H new ATOM 400 N ASN A 24 10.429 11.589 2.411 1.00 0.00 N ATOM 401 CA ASN A 24 9.145 11.185 1.858 1.00 0.00 C ATOM 402 C ASN A 24 8.011 11.793 2.673 1.00 0.00 C ATOM 403 O ASN A 24 8.008 11.718 3.902 1.00 0.00 O ATOM 404 CB ASN A 24 9.021 9.659 1.827 1.00 0.00 C ATOM 405 CG ASN A 24 9.883 9.030 0.749 1.00 0.00 C ATOM 406 OD1 ASN A 24 10.088 9.610 -0.318 1.00 0.00 O ATOM 407 ND2 ASN A 24 10.399 7.841 1.023 1.00 0.00 N ATOM 0 H ASN A 24 10.813 10.942 3.099 1.00 0.00 H new ATOM 0 HA ASN A 24 9.080 11.551 0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.306 9.254 2.798 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.979 9.385 1.661 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.991 7.372 0.338 1.00 0.00 H new ATOM 0 HD22 ASN A 24 10.204 7.395 1.919 1.00 0.00 H new ATOM 414 N PRO A 25 7.045 12.427 1.996 1.00 0.00 N ATOM 415 CA PRO A 25 5.930 13.093 2.655 1.00 0.00 C ATOM 416 C PRO A 25 4.787 12.139 2.978 1.00 0.00 C ATOM 417 O PRO A 25 4.747 11.002 2.496 1.00 0.00 O ATOM 418 CB PRO A 25 5.491 14.107 1.604 1.00 0.00 C ATOM 419 CG PRO A 25 5.756 13.428 0.305 1.00 0.00 C ATOM 420 CD PRO A 25 6.970 12.558 0.529 1.00 0.00 C ATOM 0 HA PRO A 25 6.212 13.525 3.615 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.437 14.361 1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.053 15.037 1.689 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.899 12.830 -0.004 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.938 14.156 -0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 25 6.861 11.587 0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.871 13.017 0.122 1.00 0.00 H new ATOM 428 N ARG A 26 3.867 12.610 3.807 1.00 0.00 N ATOM 429 CA ARG A 26 2.658 11.870 4.127 1.00 0.00 C ATOM 430 C ARG A 26 1.880 11.544 2.855 1.00 0.00 C ATOM 431 O ARG A 26 1.620 12.423 2.034 1.00 0.00 O ATOM 432 CB ARG A 26 1.793 12.692 5.084 1.00 0.00 C ATOM 433 CG ARG A 26 0.426 12.095 5.357 1.00 0.00 C ATOM 434 CD ARG A 26 -0.339 12.921 6.374 1.00 0.00 C ATOM 435 NE ARG A 26 -0.456 14.321 5.968 1.00 0.00 N ATOM 436 CZ ARG A 26 -1.006 15.269 6.721 1.00 0.00 C ATOM 437 NH1 ARG A 26 -1.484 14.972 7.924 1.00 0.00 N ATOM 438 NH2 ARG A 26 -1.072 16.514 6.271 1.00 0.00 N ATOM 0 H ARG A 26 3.938 13.514 4.275 1.00 0.00 H new ATOM 0 HA ARG A 26 2.932 10.932 4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.323 12.804 6.030 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.664 13.692 4.671 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.142 12.040 4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.538 11.075 5.723 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.335 12.498 6.509 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.164 12.865 7.339 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.094 14.586 5.052 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.430 14.015 8.272 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.905 15.701 8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.701 16.743 5.349 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.493 17.243 6.847 1.00 0.00 H new ATOM 452 N GLY A 27 1.528 10.278 2.690 1.00 0.00 N ATOM 453 CA GLY A 27 0.816 9.863 1.500 1.00 0.00 C ATOM 454 C GLY A 27 1.681 9.015 0.591 1.00 0.00 C ATOM 455 O GLY A 27 1.251 8.614 -0.492 1.00 0.00 O ATOM 0 H GLY A 27 1.722 9.532 3.358 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.072 9.299 1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.473 10.743 0.957 1.00 0.00 H new ATOM 459 N THR A 28 2.910 8.766 1.021 1.00 0.00 N ATOM 460 CA THR A 28 3.819 7.890 0.295 1.00 0.00 C ATOM 461 C THR A 28 3.453 6.430 0.549 1.00 0.00 C ATOM 462 O THR A 28 3.463 5.979 1.693 1.00 0.00 O ATOM 463 CB THR A 28 5.280 8.143 0.721 1.00 0.00 C ATOM 464 OG1 THR A 28 5.611 9.523 0.515 1.00 0.00 O ATOM 465 CG2 THR A 28 6.248 7.261 -0.054 1.00 0.00 C ATOM 0 H THR A 28 3.303 9.162 1.875 1.00 0.00 H new ATOM 0 HA THR A 28 3.725 8.106 -0.769 1.00 0.00 H new ATOM 0 HB THR A 28 5.371 7.894 1.778 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.560 10.003 1.368 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.268 7.466 0.272 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.012 6.213 0.130 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.159 7.472 -1.120 1.00 0.00 H new ATOM 473 N PHE A 29 3.122 5.698 -0.505 1.00 0.00 N ATOM 474 CA PHE A 29 2.628 4.335 -0.356 1.00 0.00 C ATOM 475 C PHE A 29 3.299 3.380 -1.339 1.00 0.00 C ATOM 476 O PHE A 29 4.070 3.800 -2.203 1.00 0.00 O ATOM 477 CB PHE A 29 1.112 4.305 -0.579 1.00 0.00 C ATOM 478 CG PHE A 29 0.709 4.624 -1.994 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.621 5.936 -2.426 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.427 3.609 -2.892 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.264 6.228 -3.727 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.069 3.895 -4.192 1.00 0.00 C ATOM 483 CZ PHE A 29 -0.013 5.206 -4.610 1.00 0.00 C ATOM 0 H PHE A 29 3.186 6.023 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 29 2.867 4.006 0.655 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.733 3.318 -0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.639 5.019 0.095 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.834 6.740 -1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.488 2.580 -2.570 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.202 7.256 -4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.147 3.093 -4.882 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.294 5.432 -5.628 1.00 0.00 H new ATOM 493 N LEU A 30 2.993 2.093 -1.185 1.00 0.00 N ATOM 494 CA LEU A 30 3.389 1.060 -2.137 1.00 0.00 C ATOM 495 C LEU A 30 2.691 -0.249 -1.771 1.00 0.00 C ATOM 496 O LEU A 30 2.418 -0.508 -0.595 1.00 0.00 O ATOM 497 CB LEU A 30 4.919 0.860 -2.174 1.00 0.00 C ATOM 498 CG LEU A 30 5.541 0.090 -1.000 1.00 0.00 C ATOM 499 CD1 LEU A 30 7.031 -0.109 -1.226 1.00 0.00 C ATOM 500 CD2 LEU A 30 5.312 0.813 0.311 1.00 0.00 C ATOM 0 H LEU A 30 2.460 1.737 -0.391 1.00 0.00 H new ATOM 0 HA LEU A 30 3.087 1.380 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.172 0.337 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.390 1.842 -2.225 1.00 0.00 H new ATOM 0 HG LEU A 30 5.054 -0.884 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.457 -0.656 -0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.187 -0.675 -2.144 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.519 0.862 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.763 0.244 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.766 1.803 0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.241 0.913 0.489 1.00 0.00 H new ATOM 512 N VAL A 31 2.373 -1.058 -2.771 1.00 0.00 N ATOM 513 CA VAL A 31 1.720 -2.337 -2.532 1.00 0.00 C ATOM 514 C VAL A 31 2.725 -3.481 -2.614 1.00 0.00 C ATOM 515 O VAL A 31 3.363 -3.705 -3.647 1.00 0.00 O ATOM 516 CB VAL A 31 0.524 -2.573 -3.503 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.676 -1.766 -4.775 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.342 -4.052 -3.837 1.00 0.00 C ATOM 0 H VAL A 31 2.556 -0.852 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 31 1.311 -2.309 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.371 -2.233 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.175 -1.954 -5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.717 -0.705 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.595 -2.057 -5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.502 -4.170 -4.516 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.246 -4.432 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.152 -4.611 -2.921 1.00 0.00 H new ATOM 528 N ARG A 32 2.880 -4.180 -1.501 1.00 0.00 N ATOM 529 CA ARG A 32 3.741 -5.346 -1.447 1.00 0.00 C ATOM 530 C ARG A 32 2.922 -6.587 -1.122 1.00 0.00 C ATOM 531 O ARG A 32 1.847 -6.494 -0.533 1.00 0.00 O ATOM 532 CB ARG A 32 4.867 -5.157 -0.424 1.00 0.00 C ATOM 533 CG ARG A 32 4.396 -4.843 0.988 1.00 0.00 C ATOM 534 CD ARG A 32 5.570 -4.817 1.956 1.00 0.00 C ATOM 535 NE ARG A 32 5.175 -4.432 3.309 1.00 0.00 N ATOM 536 CZ ARG A 32 5.367 -5.200 4.385 1.00 0.00 C ATOM 537 NH1 ARG A 32 5.887 -6.414 4.252 1.00 0.00 N ATOM 538 NH2 ARG A 32 5.037 -4.752 5.589 1.00 0.00 N ATOM 0 H ARG A 32 2.417 -3.957 -0.620 1.00 0.00 H new ATOM 0 HA ARG A 32 4.202 -5.476 -2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.472 -6.064 -0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.517 -4.350 -0.764 1.00 0.00 H new ATOM 0 HG2 ARG A 32 3.887 -3.879 1.001 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.671 -5.591 1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.035 -5.803 1.984 1.00 0.00 H new ATOM 0 HD3 ARG A 32 6.323 -4.120 1.589 1.00 0.00 H new ATOM 0 HE ARG A 32 4.727 -3.525 3.439 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.141 -6.762 3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.033 -6.999 5.075 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.636 -3.820 5.694 1.00 0.00 H new ATOM 0 HH22 ARG A 32 5.184 -5.339 6.410 1.00 0.00 H new ATOM 552 N GLU A 33 3.435 -7.736 -1.517 1.00 0.00 N ATOM 553 CA GLU A 33 2.729 -8.995 -1.352 1.00 0.00 C ATOM 554 C GLU A 33 3.256 -9.731 -0.128 1.00 0.00 C ATOM 555 O GLU A 33 4.467 -9.796 0.090 1.00 0.00 O ATOM 556 CB GLU A 33 2.916 -9.844 -2.609 1.00 0.00 C ATOM 557 CG GLU A 33 1.975 -11.032 -2.707 1.00 0.00 C ATOM 558 CD GLU A 33 2.168 -11.803 -3.994 1.00 0.00 C ATOM 559 OE1 GLU A 33 2.424 -11.166 -5.041 1.00 0.00 O ATOM 560 OE2 GLU A 33 2.093 -13.044 -3.963 1.00 0.00 O ATOM 0 H GLU A 33 4.349 -7.825 -1.960 1.00 0.00 H new ATOM 0 HA GLU A 33 1.666 -8.803 -1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.775 -9.211 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.944 -10.206 -2.639 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.140 -11.696 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.944 -10.684 -2.644 1.00 0.00 H new ATOM 567 N SER A 34 2.350 -10.273 0.671 1.00 0.00 N ATOM 568 CA SER A 34 2.731 -10.965 1.889 1.00 0.00 C ATOM 569 C SER A 34 3.094 -12.418 1.604 1.00 0.00 C ATOM 570 O SER A 34 2.288 -13.180 1.071 1.00 0.00 O ATOM 571 CB SER A 34 1.595 -10.901 2.910 1.00 0.00 C ATOM 572 OG SER A 34 1.927 -11.610 4.093 1.00 0.00 O ATOM 0 H SER A 34 1.345 -10.246 0.496 1.00 0.00 H new ATOM 0 HA SER A 34 3.610 -10.467 2.299 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.381 -9.861 3.155 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.688 -11.320 2.475 1.00 0.00 H new ATOM 0 HG SER A 34 1.184 -11.551 4.729 1.00 0.00 H new ATOM 578 N GLU A 35 4.320 -12.788 1.955 1.00 0.00 N ATOM 579 CA GLU A 35 4.769 -14.169 1.843 1.00 0.00 C ATOM 580 C GLU A 35 4.281 -14.987 3.034 1.00 0.00 C ATOM 581 O GLU A 35 4.249 -16.218 2.990 1.00 0.00 O ATOM 582 CB GLU A 35 6.296 -14.224 1.748 1.00 0.00 C ATOM 583 CG GLU A 35 6.840 -13.819 0.386 1.00 0.00 C ATOM 584 CD GLU A 35 6.645 -14.899 -0.661 1.00 0.00 C ATOM 585 OE1 GLU A 35 5.485 -15.251 -0.955 1.00 0.00 O ATOM 586 OE2 GLU A 35 7.656 -15.425 -1.174 1.00 0.00 O ATOM 0 H GLU A 35 5.023 -12.147 2.321 1.00 0.00 H new ATOM 0 HA GLU A 35 4.347 -14.598 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.722 -13.570 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.629 -15.237 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.345 -12.905 0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.902 -13.592 0.475 1.00 0.00 H new ATOM 593 N THR A 36 3.897 -14.293 4.098 1.00 0.00 N ATOM 594 CA THR A 36 3.385 -14.946 5.290 1.00 0.00 C ATOM 595 C THR A 36 1.891 -15.234 5.150 1.00 0.00 C ATOM 596 O THR A 36 1.368 -16.180 5.741 1.00 0.00 O ATOM 597 CB THR A 36 3.656 -14.092 6.542 1.00 0.00 C ATOM 598 OG1 THR A 36 3.705 -12.702 6.188 1.00 0.00 O ATOM 599 CG2 THR A 36 4.963 -14.503 7.202 1.00 0.00 C ATOM 0 H THR A 36 3.932 -13.275 4.157 1.00 0.00 H new ATOM 0 HA THR A 36 3.908 -15.895 5.405 1.00 0.00 H new ATOM 0 HB THR A 36 2.844 -14.254 7.250 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.979 -12.498 5.562 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.135 -13.887 8.084 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.908 -15.551 7.496 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.784 -14.366 6.499 1.00 0.00 H new ATOM 607 N THR A 37 1.206 -14.418 4.367 1.00 0.00 N ATOM 608 CA THR A 37 -0.197 -14.652 4.069 1.00 0.00 C ATOM 609 C THR A 37 -0.470 -14.458 2.580 1.00 0.00 C ATOM 610 O THR A 37 -0.721 -13.344 2.117 1.00 0.00 O ATOM 611 CB THR A 37 -1.116 -13.724 4.889 1.00 0.00 C ATOM 612 OG1 THR A 37 -0.849 -13.890 6.291 1.00 0.00 O ATOM 613 CG2 THR A 37 -2.581 -14.033 4.611 1.00 0.00 C ATOM 0 H THR A 37 1.599 -13.587 3.926 1.00 0.00 H new ATOM 0 HA THR A 37 -0.418 -15.683 4.346 1.00 0.00 H new ATOM 0 HB THR A 37 -0.914 -12.694 4.596 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.434 -13.297 6.808 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.211 -13.367 5.200 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.789 -13.887 3.551 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.793 -15.067 4.883 1.00 0.00 H new ATOM 621 N LYS A 38 -0.406 -15.551 1.829 1.00 0.00 N ATOM 622 CA LYS A 38 -0.675 -15.502 0.402 1.00 0.00 C ATOM 623 C LYS A 38 -2.160 -15.285 0.164 1.00 0.00 C ATOM 624 O LYS A 38 -2.986 -16.142 0.477 1.00 0.00 O ATOM 625 CB LYS A 38 -0.207 -16.783 -0.298 1.00 0.00 C ATOM 626 CG LYS A 38 1.293 -17.026 -0.205 1.00 0.00 C ATOM 627 CD LYS A 38 2.102 -15.811 -0.647 1.00 0.00 C ATOM 628 CE LYS A 38 1.790 -15.390 -2.075 1.00 0.00 C ATOM 629 NZ LYS A 38 2.188 -16.424 -3.066 1.00 0.00 N ATOM 0 H LYS A 38 -0.171 -16.477 2.185 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.116 -14.668 -0.022 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.730 -17.635 0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.493 -16.736 -1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.555 -17.281 0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.560 -17.883 -0.824 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.898 -14.978 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.165 -16.036 -0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.722 -15.192 -2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.308 -14.457 -2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.003 -16.073 -4.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.202 -16.632 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.638 -17.291 -2.903 1.00 0.00 H new ATOM 643 N GLY A 39 -2.492 -14.128 -0.382 1.00 0.00 N ATOM 644 CA GLY A 39 -3.881 -13.771 -0.568 1.00 0.00 C ATOM 645 C GLY A 39 -4.217 -12.470 0.128 1.00 0.00 C ATOM 646 O GLY A 39 -5.369 -12.040 0.143 1.00 0.00 O ATOM 0 H GLY A 39 -1.823 -13.427 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.095 -13.681 -1.633 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.517 -14.567 -0.181 1.00 0.00 H new ATOM 650 N ALA A 40 -3.203 -11.854 0.720 1.00 0.00 N ATOM 651 CA ALA A 40 -3.355 -10.567 1.373 1.00 0.00 C ATOM 652 C ALA A 40 -2.147 -9.695 1.084 1.00 0.00 C ATOM 653 O ALA A 40 -1.020 -10.033 1.445 1.00 0.00 O ATOM 654 CB ALA A 40 -3.542 -10.745 2.873 1.00 0.00 C ATOM 0 H ALA A 40 -2.257 -12.233 0.760 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.245 -10.076 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.654 -9.768 3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.434 -11.343 3.060 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.672 -11.251 3.291 1.00 0.00 H new ATOM 660 N TYR A 41 -2.380 -8.590 0.402 1.00 0.00 N ATOM 661 CA TYR A 41 -1.314 -7.658 0.075 1.00 0.00 C ATOM 662 C TYR A 41 -1.223 -6.588 1.150 1.00 0.00 C ATOM 663 O TYR A 41 -2.154 -6.398 1.928 1.00 0.00 O ATOM 664 CB TYR A 41 -1.552 -7.022 -1.299 1.00 0.00 C ATOM 665 CG TYR A 41 -1.447 -8.001 -2.449 1.00 0.00 C ATOM 666 CD1 TYR A 41 -2.388 -9.009 -2.622 1.00 0.00 C ATOM 667 CD2 TYR A 41 -0.404 -7.917 -3.357 1.00 0.00 C ATOM 668 CE1 TYR A 41 -2.289 -9.905 -3.669 1.00 0.00 C ATOM 669 CE2 TYR A 41 -0.299 -8.809 -4.406 1.00 0.00 C ATOM 670 CZ TYR A 41 -1.245 -9.801 -4.557 1.00 0.00 C ATOM 671 OH TYR A 41 -1.144 -10.694 -5.603 1.00 0.00 O ATOM 0 H TYR A 41 -3.301 -8.314 0.062 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.370 -8.202 0.034 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.542 -6.565 -1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.829 -6.220 -1.449 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.210 -9.093 -1.927 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.339 -7.141 -3.243 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -3.028 -10.683 -3.789 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.520 -8.730 -5.105 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.388 -10.444 -6.175 1.00 0.00 H new ATOM 681 N CYS A 42 -0.099 -5.903 1.205 1.00 0.00 N ATOM 682 CA CYS A 42 0.107 -4.879 2.208 1.00 0.00 C ATOM 683 C CYS A 42 0.323 -3.522 1.555 1.00 0.00 C ATOM 684 O CYS A 42 1.408 -3.226 1.052 1.00 0.00 O ATOM 685 CB CYS A 42 1.306 -5.239 3.088 1.00 0.00 C ATOM 686 SG CYS A 42 1.176 -6.860 3.880 1.00 0.00 S ATOM 0 H CYS A 42 0.685 -6.037 0.567 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.786 -4.822 2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.210 -5.214 2.480 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.420 -4.477 3.859 1.00 0.00 H new ATOM 0 HG CYS A 42 2.236 -7.077 4.601 1.00 0.00 H new ATOM 692 N LEU A 43 -0.723 -2.709 1.551 1.00 0.00 N ATOM 693 CA LEU A 43 -0.615 -1.342 1.080 1.00 0.00 C ATOM 694 C LEU A 43 0.048 -0.526 2.179 1.00 0.00 C ATOM 695 O LEU A 43 -0.596 -0.117 3.145 1.00 0.00 O ATOM 696 CB LEU A 43 -2.000 -0.778 0.721 1.00 0.00 C ATOM 697 CG LEU A 43 -2.021 0.504 -0.138 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.528 1.712 0.642 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.193 0.322 -1.405 1.00 0.00 C ATOM 0 H LEU A 43 -1.655 -2.975 1.869 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.014 -1.298 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.557 -1.552 0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.537 -0.576 1.648 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.058 0.687 -0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.558 2.595 0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.168 1.871 1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.504 1.538 0.973 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.223 1.239 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.161 0.097 -1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.602 -0.500 -1.992 1.00 0.00 H new ATOM 711 N SER A 44 1.342 -0.326 2.041 1.00 0.00 N ATOM 712 CA SER A 44 2.120 0.335 3.065 1.00 0.00 C ATOM 713 C SER A 44 2.189 1.830 2.787 1.00 0.00 C ATOM 714 O SER A 44 2.878 2.266 1.868 1.00 0.00 O ATOM 715 CB SER A 44 3.518 -0.278 3.099 1.00 0.00 C ATOM 716 OG SER A 44 3.438 -1.697 3.051 1.00 0.00 O ATOM 0 H SER A 44 1.879 -0.614 1.223 1.00 0.00 H new ATOM 0 HA SER A 44 1.647 0.197 4.037 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.103 0.088 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.036 0.033 4.006 1.00 0.00 H new ATOM 0 HG SER A 44 3.910 -2.025 2.257 1.00 0.00 H new ATOM 722 N VAL A 45 1.446 2.609 3.559 1.00 0.00 N ATOM 723 CA VAL A 45 1.414 4.049 3.369 1.00 0.00 C ATOM 724 C VAL A 45 2.037 4.770 4.563 1.00 0.00 C ATOM 725 O VAL A 45 1.804 4.406 5.718 1.00 0.00 O ATOM 726 CB VAL A 45 -0.030 4.559 3.131 1.00 0.00 C ATOM 727 CG1 VAL A 45 -0.914 4.326 4.349 1.00 0.00 C ATOM 728 CG2 VAL A 45 -0.026 6.032 2.743 1.00 0.00 C ATOM 0 H VAL A 45 0.859 2.268 4.320 1.00 0.00 H new ATOM 0 HA VAL A 45 2.003 4.272 2.479 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.449 3.985 2.304 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.919 4.696 4.145 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.958 3.259 4.568 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.499 4.856 5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.050 6.368 2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.426 6.618 3.543 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.549 6.165 1.827 1.00 0.00 H new ATOM 738 N SER A 46 2.849 5.774 4.274 1.00 0.00 N ATOM 739 CA SER A 46 3.491 6.559 5.308 1.00 0.00 C ATOM 740 C SER A 46 2.590 7.703 5.750 1.00 0.00 C ATOM 741 O SER A 46 2.095 8.489 4.932 1.00 0.00 O ATOM 742 CB SER A 46 4.839 7.090 4.818 1.00 0.00 C ATOM 743 OG SER A 46 5.482 7.882 5.803 1.00 0.00 O ATOM 0 H SER A 46 3.078 6.064 3.323 1.00 0.00 H new ATOM 0 HA SER A 46 3.669 5.915 6.169 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.483 6.253 4.547 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.690 7.683 3.915 1.00 0.00 H new ATOM 0 HG SER A 46 6.341 8.203 5.456 1.00 0.00 H new ATOM 749 N ASP A 47 2.381 7.769 7.047 1.00 0.00 N ATOM 750 CA ASP A 47 1.562 8.801 7.662 1.00 0.00 C ATOM 751 C ASP A 47 2.433 9.716 8.500 1.00 0.00 C ATOM 752 O ASP A 47 3.347 9.258 9.185 1.00 0.00 O ATOM 753 CB ASP A 47 0.469 8.169 8.530 1.00 0.00 C ATOM 754 CG ASP A 47 -0.229 9.170 9.436 1.00 0.00 C ATOM 755 OD1 ASP A 47 -0.707 10.209 8.934 1.00 0.00 O ATOM 756 OD2 ASP A 47 -0.328 8.907 10.654 1.00 0.00 O ATOM 0 H ASP A 47 2.776 7.105 7.713 1.00 0.00 H new ATOM 0 HA ASP A 47 1.083 9.386 6.877 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.271 7.696 7.884 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.909 7.381 9.141 1.00 0.00 H new ATOM 761 N PHE A 48 2.151 11.003 8.449 1.00 0.00 N ATOM 762 CA PHE A 48 2.958 11.983 9.148 1.00 0.00 C ATOM 763 C PHE A 48 2.177 12.589 10.300 1.00 0.00 C ATOM 764 O PHE A 48 1.163 13.262 10.098 1.00 0.00 O ATOM 765 CB PHE A 48 3.405 13.082 8.189 1.00 0.00 C ATOM 766 CG PHE A 48 4.330 14.092 8.805 1.00 0.00 C ATOM 767 CD1 PHE A 48 5.679 13.812 8.965 1.00 0.00 C ATOM 768 CD2 PHE A 48 3.854 15.329 9.215 1.00 0.00 C ATOM 769 CE1 PHE A 48 6.532 14.745 9.522 1.00 0.00 C ATOM 770 CE2 PHE A 48 4.703 16.264 9.773 1.00 0.00 C ATOM 771 CZ PHE A 48 6.043 15.972 9.927 1.00 0.00 C ATOM 0 H PHE A 48 1.366 11.395 7.929 1.00 0.00 H new ATOM 0 HA PHE A 48 3.839 11.481 9.547 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.902 12.624 7.334 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.524 13.597 7.807 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.067 12.854 8.651 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.806 15.563 9.096 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.581 14.515 9.641 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.319 17.223 10.089 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.709 16.702 10.364 1.00 0.00 H new ATOM 781 N ASP A 49 2.647 12.330 11.501 1.00 0.00 N ATOM 782 CA ASP A 49 2.059 12.911 12.697 1.00 0.00 C ATOM 783 C ASP A 49 3.032 13.890 13.334 1.00 0.00 C ATOM 784 O ASP A 49 4.246 13.776 13.179 1.00 0.00 O ATOM 785 CB ASP A 49 1.665 11.826 13.701 1.00 0.00 C ATOM 786 CG ASP A 49 1.174 12.408 15.013 1.00 0.00 C ATOM 787 OD1 ASP A 49 0.064 12.975 15.042 1.00 0.00 O ATOM 788 OD2 ASP A 49 1.914 12.331 16.012 1.00 0.00 O ATOM 0 H ASP A 49 3.442 11.716 11.680 1.00 0.00 H new ATOM 0 HA ASP A 49 1.154 13.445 12.407 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.884 11.200 13.269 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.523 11.180 13.891 1.00 0.00 H new ATOM 793 N ASN A 50 2.476 14.848 14.054 1.00 0.00 N ATOM 794 CA ASN A 50 3.245 15.957 14.606 1.00 0.00 C ATOM 795 C ASN A 50 4.066 15.535 15.815 1.00 0.00 C ATOM 796 O ASN A 50 5.033 16.208 16.177 1.00 0.00 O ATOM 797 CB ASN A 50 2.304 17.101 14.991 1.00 0.00 C ATOM 798 CG ASN A 50 1.567 17.669 13.795 1.00 0.00 C ATOM 799 OD1 ASN A 50 0.493 17.185 13.424 1.00 0.00 O ATOM 800 ND2 ASN A 50 2.129 18.701 13.191 1.00 0.00 N ATOM 0 H ASN A 50 1.481 14.882 14.274 1.00 0.00 H new ATOM 0 HA ASN A 50 3.940 16.292 13.836 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.581 16.742 15.723 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.878 17.894 15.471 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.674 19.130 12.385 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.017 19.069 13.531 1.00 0.00 H new ATOM 807 N ALA A 51 3.688 14.431 16.439 1.00 0.00 N ATOM 808 CA ALA A 51 4.382 13.959 17.626 1.00 0.00 C ATOM 809 C ALA A 51 5.117 12.658 17.340 1.00 0.00 C ATOM 810 O ALA A 51 6.307 12.527 17.632 1.00 0.00 O ATOM 811 CB ALA A 51 3.403 13.776 18.777 1.00 0.00 C ATOM 0 H ALA A 51 2.906 13.846 16.144 1.00 0.00 H new ATOM 0 HA ALA A 51 5.118 14.710 17.913 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.939 13.422 19.658 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.924 14.729 19.002 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.644 13.046 18.496 1.00 0.00 H new ATOM 817 N LYS A 52 4.413 11.708 16.742 1.00 0.00 N ATOM 818 CA LYS A 52 4.974 10.387 16.487 1.00 0.00 C ATOM 819 C LYS A 52 5.856 10.402 15.244 1.00 0.00 C ATOM 820 O LYS A 52 6.672 9.503 15.033 1.00 0.00 O ATOM 821 CB LYS A 52 3.854 9.357 16.324 1.00 0.00 C ATOM 822 CG LYS A 52 2.887 9.310 17.498 1.00 0.00 C ATOM 823 CD LYS A 52 3.597 8.964 18.801 1.00 0.00 C ATOM 824 CE LYS A 52 2.641 8.973 19.988 1.00 0.00 C ATOM 825 NZ LYS A 52 1.567 7.954 19.855 1.00 0.00 N ATOM 0 H LYS A 52 3.451 11.826 16.424 1.00 0.00 H new ATOM 0 HA LYS A 52 5.590 10.109 17.342 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.296 9.581 15.415 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.297 8.370 16.191 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.391 10.275 17.599 1.00 0.00 H new ATOM 0 HG3 LYS A 52 2.110 8.572 17.300 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.058 7.980 18.713 1.00 0.00 H new ATOM 0 HD3 LYS A 52 4.401 9.678 18.977 1.00 0.00 H new ATOM 0 HE2 LYS A 52 3.202 8.789 20.905 1.00 0.00 H new ATOM 0 HE3 LYS A 52 2.191 9.961 20.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.024 7.904 20.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.932 8.218 19.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.992 7.026 19.656 1.00 0.00 H new ATOM 839 N GLY A 53 5.689 11.432 14.431 1.00 0.00 N ATOM 840 CA GLY A 53 6.470 11.555 13.217 1.00 0.00 C ATOM 841 C GLY A 53 5.926 10.685 12.106 1.00 0.00 C ATOM 842 O GLY A 53 4.713 10.493 12.001 1.00 0.00 O ATOM 0 H GLY A 53 5.024 12.189 14.590 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.476 12.596 12.893 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.504 11.279 13.421 1.00 0.00 H new ATOM 846 N LEU A 54 6.814 10.165 11.274 1.00 0.00 N ATOM 847 CA LEU A 54 6.415 9.282 10.191 1.00 0.00 C ATOM 848 C LEU A 54 6.116 7.889 10.726 1.00 0.00 C ATOM 849 O LEU A 54 6.946 7.280 11.406 1.00 0.00 O ATOM 850 CB LEU A 54 7.502 9.196 9.110 1.00 0.00 C ATOM 851 CG LEU A 54 7.823 10.504 8.381 1.00 0.00 C ATOM 852 CD1 LEU A 54 8.749 11.383 9.207 1.00 0.00 C ATOM 853 CD2 LEU A 54 8.438 10.215 7.020 1.00 0.00 C ATOM 0 H LEU A 54 7.817 10.340 11.328 1.00 0.00 H new ATOM 0 HA LEU A 54 5.514 9.699 9.741 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.417 8.825 9.571 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.195 8.456 8.371 1.00 0.00 H new ATOM 0 HG LEU A 54 6.888 11.046 8.236 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.958 12.304 8.663 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.271 11.624 10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.683 10.853 9.395 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.660 11.155 6.514 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.359 9.646 7.150 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.736 9.637 6.419 1.00 0.00 H new ATOM 865 N ASN A 55 4.925 7.399 10.435 1.00 0.00 N ATOM 866 CA ASN A 55 4.537 6.052 10.815 1.00 0.00 C ATOM 867 C ASN A 55 3.936 5.348 9.609 1.00 0.00 C ATOM 868 O ASN A 55 3.185 5.950 8.845 1.00 0.00 O ATOM 869 CB ASN A 55 3.543 6.073 11.990 1.00 0.00 C ATOM 870 CG ASN A 55 2.172 6.620 11.625 1.00 0.00 C ATOM 871 OD1 ASN A 55 1.260 5.864 11.277 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.011 7.933 11.708 1.00 0.00 N ATOM 0 H ASN A 55 4.204 7.918 9.933 1.00 0.00 H new ATOM 0 HA ASN A 55 5.420 5.507 11.148 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.429 5.060 12.375 1.00 0.00 H new ATOM 0 HB3 ASN A 55 3.961 6.675 12.797 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.109 8.352 11.480 1.00 0.00 H new ATOM 0 HD22 ASN A 55 2.789 8.525 12.000 1.00 0.00 H new ATOM 879 N VAL A 56 4.284 4.089 9.415 1.00 0.00 N ATOM 880 CA VAL A 56 3.817 3.361 8.248 1.00 0.00 C ATOM 881 C VAL A 56 2.618 2.493 8.594 1.00 0.00 C ATOM 882 O VAL A 56 2.671 1.666 9.508 1.00 0.00 O ATOM 883 CB VAL A 56 4.932 2.488 7.634 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.415 1.721 6.427 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.123 3.347 7.246 1.00 0.00 C ATOM 0 H VAL A 56 4.883 3.553 10.043 1.00 0.00 H new ATOM 0 HA VAL A 56 3.519 4.104 7.508 1.00 0.00 H new ATOM 0 HB VAL A 56 5.253 1.766 8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.218 1.113 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.591 1.075 6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.064 2.424 5.672 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.901 2.717 6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.811 4.092 6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.513 3.850 8.131 1.00 0.00 H new ATOM 895 N LYS A 57 1.535 2.698 7.867 1.00 0.00 N ATOM 896 CA LYS A 57 0.319 1.936 8.074 1.00 0.00 C ATOM 897 C LYS A 57 0.180 0.876 6.993 1.00 0.00 C ATOM 898 O LYS A 57 0.074 1.194 5.807 1.00 0.00 O ATOM 899 CB LYS A 57 -0.902 2.858 8.062 1.00 0.00 C ATOM 900 CG LYS A 57 -0.797 4.028 9.028 1.00 0.00 C ATOM 901 CD LYS A 57 -2.073 4.853 9.036 1.00 0.00 C ATOM 902 CE LYS A 57 -1.948 6.076 9.933 1.00 0.00 C ATOM 903 NZ LYS A 57 -1.441 5.731 11.290 1.00 0.00 N ATOM 0 H LYS A 57 1.474 3.392 7.122 1.00 0.00 H new ATOM 0 HA LYS A 57 0.376 1.449 9.048 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.044 3.244 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.789 2.274 8.308 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.595 3.656 10.033 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.046 4.660 8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.308 5.170 8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.904 4.235 9.377 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.276 6.797 9.469 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.921 6.559 10.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.879 6.359 11.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.682 4.743 11.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.408 5.850 11.315 1.00 0.00 H new ATOM 917 N HIS A 58 0.203 -0.381 7.404 1.00 0.00 N ATOM 918 CA HIS A 58 0.091 -1.491 6.471 1.00 0.00 C ATOM 919 C HIS A 58 -1.367 -1.906 6.304 1.00 0.00 C ATOM 920 O HIS A 58 -1.900 -2.678 7.103 1.00 0.00 O ATOM 921 CB HIS A 58 0.929 -2.686 6.948 1.00 0.00 C ATOM 922 CG HIS A 58 2.401 -2.397 7.039 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.147 -2.791 8.126 1.00 0.00 N ATOM 924 CD2 HIS A 58 3.213 -1.786 6.146 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.390 -2.417 7.865 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.475 -1.806 6.679 1.00 0.00 N ATOM 0 H HIS A 58 0.299 -0.659 8.381 1.00 0.00 H new ATOM 0 HA HIS A 58 0.473 -1.162 5.505 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.569 -3.002 7.927 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.774 -3.522 6.266 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.922 -1.364 5.195 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.228 -2.584 8.526 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.320 -1.426 6.252 1.00 0.00 H new ATOM 934 N TYR A 59 -2.012 -1.373 5.278 1.00 0.00 N ATOM 935 CA TYR A 59 -3.396 -1.720 4.983 1.00 0.00 C ATOM 936 C TYR A 59 -3.468 -3.084 4.311 1.00 0.00 C ATOM 937 O TYR A 59 -2.765 -3.343 3.332 1.00 0.00 O ATOM 938 CB TYR A 59 -4.048 -0.657 4.092 1.00 0.00 C ATOM 939 CG TYR A 59 -4.366 0.636 4.815 1.00 0.00 C ATOM 940 CD1 TYR A 59 -3.385 1.592 5.042 1.00 0.00 C ATOM 941 CD2 TYR A 59 -5.656 0.901 5.261 1.00 0.00 C ATOM 942 CE1 TYR A 59 -3.679 2.773 5.699 1.00 0.00 C ATOM 943 CE2 TYR A 59 -5.955 2.080 5.916 1.00 0.00 C ATOM 944 CZ TYR A 59 -4.964 3.012 6.132 1.00 0.00 C ATOM 945 OH TYR A 59 -5.259 4.192 6.776 1.00 0.00 O ATOM 0 H TYR A 59 -1.600 -0.698 4.634 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.944 -1.761 5.925 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.384 -0.441 3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.968 -1.063 3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.377 1.411 4.700 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.436 0.174 5.093 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.904 3.505 5.872 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.962 2.270 6.257 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.209 4.205 7.016 1.00 0.00 H new ATOM 955 N LYS A 60 -4.313 -3.953 4.840 1.00 0.00 N ATOM 956 CA LYS A 60 -4.426 -5.310 4.334 1.00 0.00 C ATOM 957 C LYS A 60 -5.322 -5.360 3.105 1.00 0.00 C ATOM 958 O LYS A 60 -6.511 -5.043 3.174 1.00 0.00 O ATOM 959 CB LYS A 60 -4.982 -6.243 5.407 1.00 0.00 C ATOM 960 CG LYS A 60 -4.186 -6.236 6.702 1.00 0.00 C ATOM 961 CD LYS A 60 -4.807 -7.158 7.740 1.00 0.00 C ATOM 962 CE LYS A 60 -6.259 -6.795 8.024 1.00 0.00 C ATOM 963 NZ LYS A 60 -6.406 -5.396 8.506 1.00 0.00 N ATOM 0 H LYS A 60 -4.933 -3.742 5.622 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.426 -5.642 4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.012 -5.959 5.623 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.008 -7.259 5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.161 -6.548 6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.139 -5.221 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.752 -8.189 7.390 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.232 -7.104 8.664 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.849 -6.929 7.117 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.663 -7.479 8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.390 -5.231 8.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.773 -5.240 9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.157 -4.737 7.741 1.00 0.00 H new ATOM 977 N ILE A 61 -4.736 -5.744 1.986 1.00 0.00 N ATOM 978 CA ILE A 61 -5.473 -5.957 0.757 1.00 0.00 C ATOM 979 C ILE A 61 -5.796 -7.442 0.622 1.00 0.00 C ATOM 980 O ILE A 61 -5.064 -8.196 -0.022 1.00 0.00 O ATOM 981 CB ILE A 61 -4.660 -5.485 -0.468 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.210 -4.031 -0.287 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.474 -5.639 -1.744 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.332 -3.522 -1.414 1.00 0.00 C ATOM 0 H ILE A 61 -3.734 -5.917 1.905 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.394 -5.375 0.794 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.772 -6.111 -0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.091 -3.394 -0.208 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.667 -3.942 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.883 -5.301 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.741 -6.687 -1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.382 -5.040 -1.671 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.052 -2.487 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.433 -4.135 -1.480 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.879 -3.578 -2.355 1.00 0.00 H new ATOM 996 N ARG A 62 -6.876 -7.863 1.255 1.00 0.00 N ATOM 997 CA ARG A 62 -7.204 -9.276 1.329 1.00 0.00 C ATOM 998 C ARG A 62 -8.079 -9.704 0.157 1.00 0.00 C ATOM 999 O ARG A 62 -8.992 -8.983 -0.253 1.00 0.00 O ATOM 1000 CB ARG A 62 -7.899 -9.591 2.654 1.00 0.00 C ATOM 1001 CG ARG A 62 -8.185 -11.071 2.857 1.00 0.00 C ATOM 1002 CD ARG A 62 -8.931 -11.321 4.155 1.00 0.00 C ATOM 1003 NE ARG A 62 -8.119 -11.032 5.337 1.00 0.00 N ATOM 1004 CZ ARG A 62 -8.530 -10.283 6.360 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -9.696 -9.642 6.303 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -7.763 -10.162 7.435 1.00 0.00 N ATOM 0 H ARG A 62 -7.540 -7.248 1.725 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.273 -9.840 1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.276 -9.234 3.475 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.837 -9.039 2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.773 -11.447 2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.247 -11.626 2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.830 -10.705 4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.256 -12.361 4.188 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.180 -11.428 5.381 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.282 -9.722 5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.003 -9.071 7.090 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.863 -10.641 7.476 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.073 -9.590 8.221 1.00 0.00 H new ATOM 1020 N LYS A 63 -7.780 -10.877 -0.375 1.00 0.00 N ATOM 1021 CA LYS A 63 -8.531 -11.457 -1.464 1.00 0.00 C ATOM 1022 C LYS A 63 -9.667 -12.318 -0.925 1.00 0.00 C ATOM 1023 O LYS A 63 -9.473 -13.124 -0.013 1.00 0.00 O ATOM 1024 CB LYS A 63 -7.584 -12.305 -2.311 1.00 0.00 C ATOM 1025 CG LYS A 63 -8.262 -13.076 -3.423 1.00 0.00 C ATOM 1026 CD LYS A 63 -7.280 -14.015 -4.110 1.00 0.00 C ATOM 1027 CE LYS A 63 -7.893 -14.683 -5.332 1.00 0.00 C ATOM 1028 NZ LYS A 63 -8.149 -13.708 -6.423 1.00 0.00 N ATOM 0 H LYS A 63 -7.002 -11.455 -0.057 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.966 -10.665 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.825 -11.655 -2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.066 -13.009 -1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.096 -13.649 -3.018 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -8.677 -12.381 -4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.392 -13.457 -4.408 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.954 -14.779 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.225 -15.465 -5.693 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.828 -15.168 -5.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.372 -14.220 -7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.951 -13.099 -6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.303 -13.121 -6.570 1.00 0.00 H new ATOM 1042 N LEU A 64 -10.849 -12.134 -1.489 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.009 -12.920 -1.118 1.00 0.00 C ATOM 1044 C LEU A 64 -11.997 -14.269 -1.824 1.00 0.00 C ATOM 1045 O LEU A 64 -11.578 -15.278 -1.256 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.289 -12.158 -1.464 1.00 0.00 C ATOM 1047 CG LEU A 64 -13.724 -11.107 -0.444 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -14.893 -10.297 -0.983 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -14.098 -11.769 0.876 1.00 0.00 C ATOM 0 H LEU A 64 -11.029 -11.439 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.976 -13.096 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.150 -11.668 -2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.098 -12.878 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.888 -10.431 -0.266 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.191 -9.553 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.594 -9.796 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.732 -10.961 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.405 -11.006 1.591 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.920 -12.466 0.713 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.237 -12.309 1.269 1.00 0.00 H new ATOM 1061 N ASP A 65 -12.442 -14.266 -3.070 1.00 0.00 N ATOM 1062 CA ASP A 65 -12.527 -15.481 -3.872 1.00 0.00 C ATOM 1063 C ASP A 65 -12.838 -15.114 -5.314 1.00 0.00 C ATOM 1064 O ASP A 65 -12.023 -15.318 -6.216 1.00 0.00 O ATOM 1065 CB ASP A 65 -13.618 -16.409 -3.322 1.00 0.00 C ATOM 1066 CG ASP A 65 -13.726 -17.717 -4.083 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -14.469 -17.770 -5.083 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -13.087 -18.707 -3.671 1.00 0.00 O ATOM 0 H ASP A 65 -12.754 -13.425 -3.555 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.572 -16.004 -3.827 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -13.411 -16.622 -2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -14.578 -15.894 -3.359 1.00 0.00 H new ATOM 1073 N SER A 66 -14.015 -14.539 -5.518 1.00 0.00 N ATOM 1074 CA SER A 66 -14.440 -14.117 -6.842 1.00 0.00 C ATOM 1075 C SER A 66 -14.710 -12.617 -6.869 1.00 0.00 C ATOM 1076 O SER A 66 -14.660 -11.987 -7.925 1.00 0.00 O ATOM 1077 CB SER A 66 -15.686 -14.898 -7.268 1.00 0.00 C ATOM 1078 OG SER A 66 -16.705 -14.817 -6.286 1.00 0.00 O ATOM 0 H SER A 66 -14.694 -14.354 -4.779 1.00 0.00 H new ATOM 0 HA SER A 66 -13.637 -14.328 -7.549 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.058 -14.506 -8.214 1.00 0.00 H new ATOM 0 HB3 SER A 66 -15.423 -15.942 -7.437 1.00 0.00 H new ATOM 0 HG SER A 66 -17.489 -15.323 -6.585 1.00 0.00 H new ATOM 1084 N GLY A 67 -14.995 -12.047 -5.699 1.00 0.00 N ATOM 1085 CA GLY A 67 -15.217 -10.615 -5.600 1.00 0.00 C ATOM 1086 C GLY A 67 -13.973 -9.818 -5.935 1.00 0.00 C ATOM 1087 O GLY A 67 -14.007 -8.920 -6.778 1.00 0.00 O ATOM 0 H GLY A 67 -15.076 -12.553 -4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -16.023 -10.327 -6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -15.543 -10.369 -4.589 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.871 -10.149 -5.276 1.00 0.00 N ATOM 1092 CA GLY A 68 -11.612 -9.490 -5.552 1.00 0.00 C ATOM 1093 C GLY A 68 -10.818 -9.217 -4.294 1.00 0.00 C ATOM 1094 O GLY A 68 -10.881 -9.987 -3.332 1.00 0.00 O ATOM 0 H GLY A 68 -12.828 -10.866 -4.552 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -11.020 -10.110 -6.225 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -11.803 -8.550 -6.070 1.00 0.00 H new ATOM 1098 N PHE A 69 -10.073 -8.125 -4.313 1.00 0.00 N ATOM 1099 CA PHE A 69 -9.251 -7.716 -3.187 1.00 0.00 C ATOM 1100 C PHE A 69 -9.858 -6.486 -2.534 1.00 0.00 C ATOM 1101 O PHE A 69 -10.360 -5.598 -3.228 1.00 0.00 O ATOM 1102 CB PHE A 69 -7.829 -7.384 -3.653 1.00 0.00 C ATOM 1103 CG PHE A 69 -7.095 -8.533 -4.279 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -7.289 -8.858 -5.613 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -6.205 -9.284 -3.534 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -6.607 -9.910 -6.189 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -5.519 -10.335 -4.105 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.721 -10.650 -5.432 1.00 0.00 C ATOM 0 H PHE A 69 -10.021 -7.495 -5.113 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.210 -8.537 -2.471 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.877 -6.566 -4.371 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.255 -7.025 -2.799 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -7.982 -8.281 -6.208 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.045 -9.045 -2.493 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.766 -10.154 -7.229 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -4.824 -10.911 -3.513 1.00 0.00 H new ATOM 0 HZ PHE A 69 -5.186 -11.475 -5.879 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.813 -6.420 -1.216 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.365 -5.282 -0.508 1.00 0.00 C ATOM 1120 C TYR A 70 -9.428 -4.804 0.590 1.00 0.00 C ATOM 1121 O TYR A 70 -8.736 -5.597 1.231 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.739 -5.625 0.086 1.00 0.00 C ATOM 1123 CG TYR A 70 -11.715 -6.699 1.152 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.472 -6.376 2.482 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -11.947 -8.028 0.833 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -11.456 -7.348 3.460 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -11.935 -9.007 1.808 1.00 0.00 C ATOM 1128 CZ TYR A 70 -11.690 -8.660 3.119 1.00 0.00 C ATOM 1129 OH TYR A 70 -11.683 -9.631 4.096 1.00 0.00 O ATOM 0 H TYR A 70 -9.402 -7.137 -0.618 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.484 -4.474 -1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.173 -4.720 0.511 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.399 -5.946 -0.720 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.293 -5.346 2.754 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.140 -8.302 -0.194 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.261 -7.081 4.488 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -12.117 -10.038 1.544 1.00 0.00 H new ATOM 0 HH TYR A 70 -11.866 -10.504 3.691 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.394 -3.494 0.769 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.691 -2.876 1.882 1.00 0.00 C ATOM 1141 C ILE A 71 -9.682 -2.628 3.017 1.00 0.00 C ATOM 1142 O ILE A 71 -9.315 -2.568 4.194 1.00 0.00 O ATOM 1143 CB ILE A 71 -8.027 -1.545 1.449 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.905 -1.819 0.440 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -7.493 -0.776 2.651 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -6.190 -0.573 -0.043 1.00 0.00 C ATOM 0 H ILE A 71 -9.853 -2.828 0.147 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.901 -3.546 2.221 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.786 -0.925 0.972 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.176 -2.489 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.324 -2.341 -0.420 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -7.033 0.153 2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.314 -0.549 3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.749 -1.382 3.169 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.412 -0.852 -0.753 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.904 0.091 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.739 -0.060 0.806 1.00 0.00 H new ATOM 1158 N THR A 72 -10.945 -2.511 2.640 1.00 0.00 N ATOM 1159 CA THR A 72 -12.023 -2.288 3.583 1.00 0.00 C ATOM 1160 C THR A 72 -13.178 -3.229 3.270 1.00 0.00 C ATOM 1161 O THR A 72 -13.391 -3.600 2.113 1.00 0.00 O ATOM 1162 CB THR A 72 -12.504 -0.819 3.545 1.00 0.00 C ATOM 1163 OG1 THR A 72 -13.673 -0.651 4.355 1.00 0.00 O ATOM 1164 CG2 THR A 72 -12.792 -0.376 2.118 1.00 0.00 C ATOM 0 H THR A 72 -11.250 -2.569 1.668 1.00 0.00 H new ATOM 0 HA THR A 72 -11.651 -2.491 4.587 1.00 0.00 H new ATOM 0 HB THR A 72 -11.705 -0.195 3.945 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.963 0.285 4.321 1.00 0.00 H new ATOM 0 HG21 THR A 72 -13.129 0.661 2.120 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.885 -0.462 1.520 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.569 -1.009 1.690 1.00 0.00 H new ATOM 1172 N SER A 73 -13.920 -3.612 4.296 1.00 0.00 N ATOM 1173 CA SER A 73 -14.979 -4.600 4.153 1.00 0.00 C ATOM 1174 C SER A 73 -16.246 -3.996 3.539 1.00 0.00 C ATOM 1175 O SER A 73 -17.316 -4.006 4.157 1.00 0.00 O ATOM 1176 CB SER A 73 -15.293 -5.216 5.516 1.00 0.00 C ATOM 1177 OG SER A 73 -14.116 -5.716 6.135 1.00 0.00 O ATOM 0 H SER A 73 -13.808 -3.251 5.244 1.00 0.00 H new ATOM 0 HA SER A 73 -14.627 -5.375 3.472 1.00 0.00 H new ATOM 0 HB2 SER A 73 -15.756 -4.467 6.159 1.00 0.00 H new ATOM 0 HB3 SER A 73 -16.015 -6.023 5.396 1.00 0.00 H new ATOM 0 HG SER A 73 -14.344 -6.103 7.006 1.00 0.00 H new ATOM 1183 N ARG A 74 -16.115 -3.462 2.327 1.00 0.00 N ATOM 1184 CA ARG A 74 -17.255 -2.976 1.557 1.00 0.00 C ATOM 1185 C ARG A 74 -16.846 -2.666 0.119 1.00 0.00 C ATOM 1186 O ARG A 74 -17.513 -3.087 -0.825 1.00 0.00 O ATOM 1187 CB ARG A 74 -17.896 -1.746 2.214 1.00 0.00 C ATOM 1188 CG ARG A 74 -16.918 -0.635 2.557 1.00 0.00 C ATOM 1189 CD ARG A 74 -17.640 0.563 3.143 1.00 0.00 C ATOM 1190 NE ARG A 74 -16.712 1.598 3.584 1.00 0.00 N ATOM 1191 CZ ARG A 74 -16.757 2.862 3.169 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -17.682 3.247 2.295 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -15.886 3.747 3.631 1.00 0.00 N ATOM 0 H ARG A 74 -15.218 -3.355 1.853 1.00 0.00 H new ATOM 0 HA ARG A 74 -18.002 -3.770 1.540 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.659 -1.348 1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -18.404 -2.060 3.126 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.179 -1.003 3.269 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.375 -0.334 1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -18.318 0.978 2.397 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -18.251 0.241 3.986 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.985 1.338 4.250 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.360 2.573 1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -17.713 4.216 1.979 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.178 3.461 4.307 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -15.924 4.715 3.311 1.00 0.00 H new ATOM 1207 N THR A 75 -15.744 -1.946 -0.044 1.00 0.00 N ATOM 1208 CA THR A 75 -15.245 -1.602 -1.367 1.00 0.00 C ATOM 1209 C THR A 75 -14.107 -2.540 -1.755 1.00 0.00 C ATOM 1210 O THR A 75 -13.174 -2.748 -0.975 1.00 0.00 O ATOM 1211 CB THR A 75 -14.755 -0.146 -1.399 1.00 0.00 C ATOM 1212 OG1 THR A 75 -15.682 0.685 -0.687 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.619 0.355 -2.830 1.00 0.00 C ATOM 0 H THR A 75 -15.178 -1.589 0.726 1.00 0.00 H new ATOM 0 HA THR A 75 -16.060 -1.710 -2.082 1.00 0.00 H new ATOM 0 HB THR A 75 -13.774 -0.102 -0.926 1.00 0.00 H new ATOM 0 HG1 THR A 75 -15.222 1.122 0.060 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.271 1.388 -2.822 1.00 0.00 H new ATOM 0 HG22 THR A 75 -13.901 -0.266 -3.366 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.587 0.302 -3.328 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.191 -3.114 -2.949 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.226 -4.116 -3.382 1.00 0.00 C ATOM 1223 C GLN A 76 -13.036 -4.084 -4.894 1.00 0.00 C ATOM 1224 O GLN A 76 -13.929 -3.667 -5.632 1.00 0.00 O ATOM 1225 CB GLN A 76 -13.687 -5.508 -2.941 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.099 -5.853 -3.391 1.00 0.00 C ATOM 1227 CD GLN A 76 -15.595 -7.155 -2.800 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -15.424 -8.222 -3.385 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -16.212 -7.071 -1.633 1.00 0.00 N ATOM 0 H GLN A 76 -14.917 -2.903 -3.634 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.267 -3.887 -2.917 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -12.996 -6.253 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.635 -5.571 -1.854 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -15.775 -5.047 -3.105 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.124 -5.919 -4.479 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -16.332 -6.163 -1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.568 -7.914 -1.183 1.00 0.00 H new ATOM 1238 N PHE A 77 -11.866 -4.522 -5.344 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.545 -4.588 -6.765 1.00 0.00 C ATOM 1240 C PHE A 77 -10.795 -5.879 -7.060 1.00 0.00 C ATOM 1241 O PHE A 77 -9.954 -6.307 -6.274 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.694 -3.387 -7.191 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.422 -2.075 -7.114 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.296 -1.696 -8.120 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.239 -1.227 -6.036 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.974 -0.496 -8.052 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.915 -0.026 -5.961 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.784 0.341 -6.971 1.00 0.00 C ATOM 0 H PHE A 77 -11.113 -4.841 -4.734 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.477 -4.566 -7.330 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.807 -3.338 -6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.349 -3.542 -8.213 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.449 -2.348 -8.968 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.560 -1.508 -5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.652 -0.212 -8.843 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.765 0.627 -5.114 1.00 0.00 H new ATOM 0 HZ PHE A 77 -13.313 1.281 -6.915 1.00 0.00 H new ATOM 1258 N SER A 78 -11.086 -6.490 -8.198 1.00 0.00 N ATOM 1259 CA SER A 78 -10.517 -7.788 -8.536 1.00 0.00 C ATOM 1260 C SER A 78 -9.101 -7.655 -9.093 1.00 0.00 C ATOM 1261 O SER A 78 -8.393 -8.648 -9.247 1.00 0.00 O ATOM 1262 CB SER A 78 -11.430 -8.512 -9.528 1.00 0.00 C ATOM 1263 OG SER A 78 -11.926 -7.622 -10.515 1.00 0.00 O ATOM 0 H SER A 78 -11.714 -6.108 -8.905 1.00 0.00 H new ATOM 0 HA SER A 78 -10.447 -8.379 -7.623 1.00 0.00 H new ATOM 0 HB2 SER A 78 -10.880 -9.321 -10.008 1.00 0.00 H new ATOM 0 HB3 SER A 78 -12.264 -8.967 -8.993 1.00 0.00 H new ATOM 0 HG SER A 78 -12.505 -8.112 -11.136 1.00 0.00 H new ATOM 1269 N SER A 79 -8.694 -6.429 -9.393 1.00 0.00 N ATOM 1270 CA SER A 79 -7.346 -6.168 -9.875 1.00 0.00 C ATOM 1271 C SER A 79 -6.720 -4.999 -9.117 1.00 0.00 C ATOM 1272 O SER A 79 -7.375 -3.988 -8.848 1.00 0.00 O ATOM 1273 CB SER A 79 -7.370 -5.874 -11.371 1.00 0.00 C ATOM 1274 OG SER A 79 -7.924 -6.961 -12.091 1.00 0.00 O ATOM 0 H SER A 79 -9.280 -5.598 -9.311 1.00 0.00 H new ATOM 0 HA SER A 79 -6.739 -7.056 -9.700 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.954 -4.973 -11.559 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.357 -5.678 -11.723 1.00 0.00 H new ATOM 0 HG SER A 79 -7.931 -6.750 -13.048 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.440 -5.159 -8.780 1.00 0.00 N ATOM 1281 CA LEU A 80 -4.702 -4.202 -7.981 1.00 0.00 C ATOM 1282 C LEU A 80 -4.602 -2.844 -8.668 1.00 0.00 C ATOM 1283 O LEU A 80 -4.546 -1.809 -8.005 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.302 -4.748 -7.730 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.168 -5.898 -6.721 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -3.383 -5.398 -5.300 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -4.101 -7.067 -7.014 1.00 0.00 C ATOM 0 H LEU A 80 -4.887 -5.969 -9.061 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.235 -4.058 -7.041 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.895 -5.086 -8.683 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.674 -3.925 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.150 -6.274 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.283 -6.230 -4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.639 -4.637 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.381 -4.969 -5.212 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.956 -7.845 -6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.135 -6.723 -6.985 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.880 -7.470 -8.002 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.562 -2.857 -9.998 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.486 -1.624 -10.774 1.00 0.00 C ATOM 1301 C GLN A 81 -5.682 -0.729 -10.477 1.00 0.00 C ATOM 1302 O GLN A 81 -5.520 0.459 -10.202 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.417 -1.937 -12.274 1.00 0.00 C ATOM 1304 CG GLN A 81 -4.386 -0.702 -13.172 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.167 0.174 -12.938 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -2.126 -0.009 -13.569 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.287 1.135 -12.032 1.00 0.00 N ATOM 0 H GLN A 81 -4.581 -3.708 -10.560 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.578 -1.095 -10.486 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.527 -2.535 -12.468 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -5.278 -2.548 -12.546 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.404 -1.018 -14.215 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.287 -0.113 -13.001 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.166 1.255 -11.529 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.500 1.754 -11.838 1.00 0.00 H new ATOM 1316 N GLN A 82 -6.874 -1.307 -10.520 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.096 -0.569 -10.220 1.00 0.00 C ATOM 1318 C GLN A 82 -8.116 -0.135 -8.764 1.00 0.00 C ATOM 1319 O GLN A 82 -8.508 0.983 -8.449 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.330 -1.415 -10.534 1.00 0.00 C ATOM 1321 CG GLN A 82 -9.624 -1.530 -12.019 1.00 0.00 C ATOM 1322 CD GLN A 82 -10.093 -0.221 -12.630 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -9.708 0.865 -12.195 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -10.942 -0.317 -13.638 1.00 0.00 N ATOM 0 H GLN A 82 -7.023 -2.287 -10.760 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.116 0.321 -10.849 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -9.190 -2.414 -10.121 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.195 -0.981 -10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -8.726 -1.866 -12.537 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.387 -2.293 -12.176 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -11.238 -1.235 -13.970 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.302 0.527 -14.084 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.671 -1.033 -7.894 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.564 -0.758 -6.467 1.00 0.00 C ATOM 1335 C LEU A 83 -6.803 0.543 -6.226 1.00 0.00 C ATOM 1336 O LEU A 83 -7.325 1.488 -5.636 1.00 0.00 O ATOM 1337 CB LEU A 83 -6.866 -1.958 -5.783 1.00 0.00 C ATOM 1338 CG LEU A 83 -6.433 -1.802 -4.311 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -5.096 -1.067 -4.199 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -7.511 -1.100 -3.496 1.00 0.00 C ATOM 0 H LEU A 83 -7.374 -1.972 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.557 -0.631 -6.037 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.538 -2.814 -5.844 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.980 -2.206 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.297 -2.802 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.819 -0.973 -3.149 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.327 -1.629 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -5.188 -0.074 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.180 -1.003 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.695 -0.110 -3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -8.431 -1.684 -3.529 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.584 0.595 -6.722 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.676 1.682 -6.407 1.00 0.00 C ATOM 1354 C VAL A 84 -5.041 2.948 -7.160 1.00 0.00 C ATOM 1355 O VAL A 84 -5.028 4.045 -6.606 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.233 1.257 -6.717 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.951 1.147 -8.201 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -2.237 2.158 -6.028 1.00 0.00 C ATOM 0 H VAL A 84 -5.196 -0.108 -7.350 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.761 1.905 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.116 0.251 -6.313 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.915 0.843 -8.353 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.615 0.405 -8.644 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.119 2.114 -8.676 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.225 1.831 -6.267 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.377 3.184 -6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.389 2.110 -4.950 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.372 2.771 -8.420 1.00 0.00 N ATOM 1369 CA ALA A 85 -5.773 3.882 -9.279 1.00 0.00 C ATOM 1370 C ALA A 85 -6.998 4.600 -8.722 1.00 0.00 C ATOM 1371 O ALA A 85 -7.081 5.826 -8.763 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.044 3.401 -10.693 1.00 0.00 C ATOM 0 H ALA A 85 -5.374 1.862 -8.883 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.946 4.592 -9.305 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.341 4.246 -11.314 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.141 2.949 -11.103 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.845 2.662 -10.679 1.00 0.00 H new ATOM 1378 N TYR A 86 -7.943 3.836 -8.194 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.158 4.416 -7.649 1.00 0.00 C ATOM 1380 C TYR A 86 -8.896 5.040 -6.281 1.00 0.00 C ATOM 1381 O TYR A 86 -9.350 6.149 -6.002 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.255 3.354 -7.546 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.598 3.903 -7.130 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.338 4.694 -7.998 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -12.127 3.637 -5.872 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.564 5.203 -7.627 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -13.355 4.143 -5.495 1.00 0.00 C ATOM 1388 CZ TYR A 86 -14.068 4.924 -6.376 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.288 5.437 -6.003 1.00 0.00 O ATOM 0 H TYR A 86 -7.891 2.819 -8.132 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.493 5.203 -8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.359 2.858 -8.511 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -9.946 2.594 -6.828 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -11.947 4.914 -8.980 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.569 3.025 -5.179 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.127 5.818 -8.314 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -13.754 3.927 -4.515 1.00 0.00 H new ATOM 0 HH TYR A 86 -15.159 6.111 -5.303 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.137 4.340 -5.447 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.889 4.789 -4.080 1.00 0.00 C ATOM 1401 C TYR A 87 -6.900 5.951 -4.027 1.00 0.00 C ATOM 1402 O TYR A 87 -6.805 6.646 -3.012 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.404 3.625 -3.212 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.516 2.697 -2.759 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.598 2.401 -3.582 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -8.485 2.124 -1.498 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.611 1.560 -3.156 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -9.492 1.287 -1.065 1.00 0.00 C ATOM 1409 CZ TYR A 87 -10.552 1.009 -1.896 1.00 0.00 C ATOM 1410 OH TYR A 87 -11.555 0.170 -1.466 1.00 0.00 O ATOM 0 H TYR A 87 -7.682 3.460 -5.691 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.835 5.154 -3.682 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.667 3.049 -3.771 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.896 4.025 -2.334 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.648 2.835 -4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -7.655 2.337 -0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -11.443 1.337 -3.808 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -9.448 0.852 -0.078 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.360 -0.133 -0.555 1.00 0.00 H new ATOM 1420 N SER A 88 -6.157 6.170 -5.110 1.00 0.00 N ATOM 1421 CA SER A 88 -5.295 7.346 -5.194 1.00 0.00 C ATOM 1422 C SER A 88 -6.130 8.625 -5.315 1.00 0.00 C ATOM 1423 O SER A 88 -5.629 9.733 -5.124 1.00 0.00 O ATOM 1424 CB SER A 88 -4.307 7.223 -6.363 1.00 0.00 C ATOM 1425 OG SER A 88 -4.972 7.093 -7.610 1.00 0.00 O ATOM 0 H SER A 88 -6.134 5.561 -5.928 1.00 0.00 H new ATOM 0 HA SER A 88 -4.716 7.406 -4.272 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.662 8.101 -6.386 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.663 6.358 -6.204 1.00 0.00 H new ATOM 0 HG SER A 88 -5.767 6.531 -7.500 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.412 8.456 -5.624 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.345 9.572 -5.691 1.00 0.00 C ATOM 1433 C LYS A 89 -9.376 9.443 -4.574 1.00 0.00 C ATOM 1434 O LYS A 89 -9.498 10.313 -3.711 1.00 0.00 O ATOM 1435 CB LYS A 89 -9.049 9.598 -7.051 1.00 0.00 C ATOM 1436 CG LYS A 89 -8.108 9.768 -8.234 1.00 0.00 C ATOM 1437 CD LYS A 89 -8.842 9.571 -9.551 1.00 0.00 C ATOM 1438 CE LYS A 89 -7.927 9.776 -10.746 1.00 0.00 C ATOM 1439 NZ LYS A 89 -7.461 11.183 -10.862 1.00 0.00 N ATOM 0 H LYS A 89 -7.829 7.549 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.792 10.504 -5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.609 8.671 -7.176 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.774 10.412 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.662 10.762 -8.208 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -7.291 9.050 -8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.264 8.566 -9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.677 10.269 -9.609 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.064 9.115 -10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.454 9.493 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.998 11.320 -11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.275 11.826 -10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -6.784 11.388 -10.100 1.00 0.00 H new ATOM 1453 N HIS A 90 -10.097 8.333 -4.595 1.00 0.00 N ATOM 1454 CA HIS A 90 -11.104 8.025 -3.592 1.00 0.00 C ATOM 1455 C HIS A 90 -10.499 7.071 -2.564 1.00 0.00 C ATOM 1456 O HIS A 90 -10.489 5.860 -2.773 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.317 7.380 -4.280 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.499 7.104 -3.400 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.745 7.649 -3.617 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -13.638 6.270 -2.349 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -15.597 7.158 -2.734 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -14.948 6.317 -1.953 1.00 0.00 N ATOM 0 H HIS A 90 -9.999 7.616 -5.313 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.430 8.933 -3.085 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.638 8.031 -5.093 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -11.997 6.441 -4.731 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.857 5.673 -1.901 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -16.646 7.404 -2.664 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -15.355 5.789 -1.181 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.998 7.621 -1.462 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.295 6.826 -0.454 1.00 0.00 C ATOM 1473 C ALA A 91 -10.214 5.780 0.178 1.00 0.00 C ATOM 1474 O ALA A 91 -9.769 4.698 0.560 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.713 7.734 0.617 1.00 0.00 C ATOM 0 H ALA A 91 -10.065 8.615 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.484 6.296 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.192 7.131 1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.012 8.432 0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.517 8.290 1.099 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.500 6.128 0.255 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.552 5.264 0.812 1.00 0.00 C ATOM 1483 C ASP A 92 -12.222 4.758 2.220 1.00 0.00 C ATOM 1484 O ASP A 92 -12.581 5.391 3.218 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.827 4.082 -0.122 1.00 0.00 C ATOM 1486 CG ASP A 92 -14.201 3.485 0.100 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -15.195 4.098 -0.352 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -14.291 2.405 0.714 1.00 0.00 O ATOM 0 H ASP A 92 -11.848 7.029 -0.071 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.448 5.878 0.895 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.739 4.411 -1.157 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.069 3.314 0.034 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.526 3.631 2.291 1.00 0.00 N ATOM 1494 CA GLY A 93 -11.198 3.026 3.567 1.00 0.00 C ATOM 1495 C GLY A 93 -10.035 3.714 4.250 1.00 0.00 C ATOM 1496 O GLY A 93 -10.074 3.962 5.453 1.00 0.00 O ATOM 0 H GLY A 93 -11.180 3.121 1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.071 3.062 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.956 1.974 3.416 1.00 0.00 H new ATOM 1500 N LEU A 94 -8.998 4.023 3.483 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.816 4.682 4.014 1.00 0.00 C ATOM 1502 C LEU A 94 -8.137 6.107 4.440 1.00 0.00 C ATOM 1503 O LEU A 94 -8.850 6.828 3.745 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.696 4.704 2.968 1.00 0.00 C ATOM 1505 CG LEU A 94 -6.247 3.334 2.460 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -7.175 2.823 1.374 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.814 3.391 1.956 1.00 0.00 C ATOM 0 H LEU A 94 -8.954 3.825 2.483 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.483 4.117 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.029 5.297 2.116 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.833 5.215 3.395 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.291 2.636 3.296 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.831 1.847 1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.186 2.733 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.175 3.522 0.537 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.514 2.406 1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.744 4.110 1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.155 3.699 2.768 1.00 0.00 H new ATOM 1519 N CYS A 95 -7.614 6.500 5.597 1.00 0.00 N ATOM 1520 CA CYS A 95 -7.789 7.856 6.099 1.00 0.00 C ATOM 1521 C CYS A 95 -7.001 8.848 5.247 1.00 0.00 C ATOM 1522 O CYS A 95 -7.285 10.049 5.247 1.00 0.00 O ATOM 1523 CB CYS A 95 -7.338 7.941 7.560 1.00 0.00 C ATOM 1524 SG CYS A 95 -7.470 9.593 8.283 1.00 0.00 S ATOM 0 H CYS A 95 -7.063 5.895 6.206 1.00 0.00 H new ATOM 0 HA CYS A 95 -8.847 8.113 6.041 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.935 7.248 8.153 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -6.302 7.609 7.628 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.426 10.485 7.338 1.00 0.00 H new ATOM 1530 N HIS A 96 -6.019 8.341 4.518 1.00 0.00 N ATOM 1531 CA HIS A 96 -5.186 9.179 3.677 1.00 0.00 C ATOM 1532 C HIS A 96 -5.294 8.748 2.226 1.00 0.00 C ATOM 1533 O HIS A 96 -5.344 7.557 1.921 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.725 9.119 4.126 1.00 0.00 C ATOM 1535 CG HIS A 96 -3.484 9.724 5.471 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -3.678 11.062 5.700 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -3.066 9.137 6.613 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -3.377 11.258 6.969 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -2.996 10.121 7.568 1.00 0.00 N ATOM 0 H HIS A 96 -5.781 7.350 4.494 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.539 10.206 3.771 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.402 8.078 4.143 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -3.107 9.633 3.390 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.831 8.092 6.749 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -3.431 12.216 7.464 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -2.711 10.009 8.541 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.347 9.730 1.346 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.398 9.487 -0.086 1.00 0.00 C ATOM 1549 C ARG A 97 -4.027 9.057 -0.581 1.00 0.00 C ATOM 1550 O ARG A 97 -3.015 9.658 -0.209 1.00 0.00 O ATOM 1551 CB ARG A 97 -5.835 10.766 -0.799 1.00 0.00 C ATOM 1552 CG ARG A 97 -7.242 11.214 -0.436 1.00 0.00 C ATOM 1553 CD ARG A 97 -7.406 12.721 -0.573 1.00 0.00 C ATOM 1554 NE ARG A 97 -6.690 13.446 0.477 1.00 0.00 N ATOM 1555 CZ ARG A 97 -6.717 14.770 0.629 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -7.402 15.531 -0.222 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -6.061 15.335 1.639 1.00 0.00 N ATOM 0 H ARG A 97 -5.356 10.717 1.602 1.00 0.00 H new ATOM 0 HA ARG A 97 -6.115 8.694 -0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -5.134 11.565 -0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -5.779 10.609 -1.876 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.962 10.710 -1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.466 10.915 0.588 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -7.039 13.039 -1.549 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.465 12.976 -0.533 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.133 12.902 1.136 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.910 15.101 -0.995 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -7.419 16.544 -0.101 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.538 14.755 2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.081 16.348 1.757 1.00 0.00 H new ATOM 1571 N LEU A 98 -3.989 8.010 -1.401 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.731 7.529 -1.959 1.00 0.00 C ATOM 1573 C LEU A 98 -2.101 8.616 -2.825 1.00 0.00 C ATOM 1574 O LEU A 98 -2.485 8.814 -3.978 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.947 6.246 -2.771 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.538 5.067 -1.995 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.700 3.859 -2.905 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.662 4.727 -0.801 1.00 0.00 C ATOM 0 H LEU A 98 -4.811 7.481 -1.692 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.053 7.293 -1.139 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.606 6.474 -3.609 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.990 5.938 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.524 5.352 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.121 3.030 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.368 4.111 -3.729 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.727 3.570 -3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.096 3.886 -0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.663 4.460 -1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.598 5.591 -0.139 1.00 0.00 H new ATOM 1590 N THR A 99 -1.134 9.317 -2.249 1.00 0.00 N ATOM 1591 CA THR A 99 -0.570 10.499 -2.872 1.00 0.00 C ATOM 1592 C THR A 99 0.537 10.145 -3.864 1.00 0.00 C ATOM 1593 O THR A 99 0.400 10.382 -5.065 1.00 0.00 O ATOM 1594 CB THR A 99 -0.018 11.455 -1.799 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.000 11.640 -0.768 1.00 0.00 O ATOM 1596 CG2 THR A 99 0.348 12.804 -2.400 1.00 0.00 C ATOM 0 H THR A 99 -0.724 9.083 -1.345 1.00 0.00 H new ATOM 0 HA THR A 99 -1.372 10.991 -3.423 1.00 0.00 H new ATOM 0 HB THR A 99 0.884 11.011 -1.378 1.00 0.00 H new ATOM 0 HG1 THR A 99 -1.658 10.915 -0.809 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.735 13.458 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.110 12.666 -3.167 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.538 13.256 -2.846 1.00 0.00 H new ATOM 1604 N ASN A 100 1.625 9.569 -3.368 1.00 0.00 N ATOM 1605 CA ASN A 100 2.767 9.258 -4.219 1.00 0.00 C ATOM 1606 C ASN A 100 3.316 7.884 -3.879 1.00 0.00 C ATOM 1607 O ASN A 100 3.310 7.472 -2.719 1.00 0.00 O ATOM 1608 CB ASN A 100 3.869 10.321 -4.070 1.00 0.00 C ATOM 1609 CG ASN A 100 4.704 10.154 -2.807 1.00 0.00 C ATOM 1610 OD1 ASN A 100 5.744 9.496 -2.817 1.00 0.00 O ATOM 1611 ND2 ASN A 100 4.265 10.759 -1.716 1.00 0.00 N ATOM 0 H ASN A 100 1.741 9.309 -2.388 1.00 0.00 H new ATOM 0 HA ASN A 100 2.429 9.259 -5.255 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.525 10.277 -4.939 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.411 11.310 -4.066 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.793 10.688 -0.846 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.398 11.296 -1.744 1.00 0.00 H new ATOM 1618 N VAL A 101 3.761 7.166 -4.893 1.00 0.00 N ATOM 1619 CA VAL A 101 4.330 5.847 -4.686 1.00 0.00 C ATOM 1620 C VAL A 101 5.827 5.966 -4.414 1.00 0.00 C ATOM 1621 O VAL A 101 6.540 6.677 -5.127 1.00 0.00 O ATOM 1622 CB VAL A 101 4.114 4.919 -5.899 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.133 3.468 -5.452 1.00 0.00 C ATOM 1624 CG2 VAL A 101 2.817 5.242 -6.626 1.00 0.00 C ATOM 0 H VAL A 101 3.740 7.472 -5.866 1.00 0.00 H new ATOM 0 HA VAL A 101 3.818 5.408 -3.830 1.00 0.00 H new ATOM 0 HB VAL A 101 4.930 5.084 -6.602 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.980 2.820 -6.315 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.096 3.241 -4.994 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.337 3.300 -4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.698 4.568 -7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.976 5.117 -5.943 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.846 6.272 -6.982 1.00 0.00 H new ATOM 1634 N CYS A 102 6.288 5.281 -3.379 1.00 0.00 N ATOM 1635 CA CYS A 102 7.690 5.332 -2.982 1.00 0.00 C ATOM 1636 C CYS A 102 8.579 4.722 -4.060 1.00 0.00 C ATOM 1637 O CYS A 102 8.334 3.611 -4.517 1.00 0.00 O ATOM 1638 CB CYS A 102 7.892 4.588 -1.658 1.00 0.00 C ATOM 1639 SG CYS A 102 9.576 4.681 -1.002 1.00 0.00 S ATOM 0 H CYS A 102 5.709 4.679 -2.794 1.00 0.00 H new ATOM 0 HA CYS A 102 7.970 6.377 -2.851 1.00 0.00 H new ATOM 0 HB2 CYS A 102 7.203 4.994 -0.917 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.627 3.540 -1.799 1.00 0.00 H new ATOM 0 HG CYS A 102 10.426 4.412 -1.948 1.00 0.00 H new ATOM 1645 N PRO A 103 9.618 5.450 -4.488 1.00 0.00 N ATOM 1646 CA PRO A 103 10.571 4.952 -5.480 1.00 0.00 C ATOM 1647 C PRO A 103 11.527 3.918 -4.888 1.00 0.00 C ATOM 1648 O PRO A 103 11.878 3.984 -3.709 1.00 0.00 O ATOM 1649 CB PRO A 103 11.327 6.211 -5.901 1.00 0.00 C ATOM 1650 CG PRO A 103 11.254 7.112 -4.716 1.00 0.00 C ATOM 1651 CD PRO A 103 9.938 6.821 -4.047 1.00 0.00 C ATOM 0 HA PRO A 103 10.079 4.441 -6.308 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.361 5.983 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.871 6.672 -6.777 1.00 0.00 H new ATOM 0 HG2 PRO A 103 12.085 6.928 -4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.314 8.158 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.018 6.884 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.168 7.530 -4.352 1.00 0.00 H new ATOM 1659 N THR A 104 11.930 2.957 -5.707 1.00 0.00 N ATOM 1660 CA THR A 104 12.862 1.927 -5.272 1.00 0.00 C ATOM 1661 C THR A 104 14.299 2.344 -5.553 1.00 0.00 C ATOM 1662 O THR A 104 14.560 3.197 -6.408 1.00 0.00 O ATOM 1663 CB THR A 104 12.574 0.564 -5.947 1.00 0.00 C ATOM 1664 OG1 THR A 104 13.551 -0.415 -5.558 1.00 0.00 O ATOM 1665 CG2 THR A 104 12.564 0.691 -7.462 1.00 0.00 C ATOM 0 H THR A 104 11.626 2.869 -6.677 1.00 0.00 H new ATOM 0 HA THR A 104 12.725 1.809 -4.197 1.00 0.00 H new ATOM 0 HB THR A 104 11.588 0.240 -5.615 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.350 -1.269 -5.994 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.359 -0.283 -7.907 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.791 1.398 -7.763 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.535 1.049 -7.804 1.00 0.00 H new ATOM 1673 N SER A 105 15.221 1.731 -4.834 1.00 0.00 N ATOM 1674 CA SER A 105 16.635 2.045 -4.964 1.00 0.00 C ATOM 1675 C SER A 105 17.463 0.763 -5.019 1.00 0.00 C ATOM 1676 O SER A 105 18.632 0.740 -4.624 1.00 0.00 O ATOM 1677 CB SER A 105 17.088 2.934 -3.804 1.00 0.00 C ATOM 1678 OG SER A 105 16.348 4.147 -3.773 1.00 0.00 O ATOM 0 H SER A 105 15.015 1.006 -4.147 1.00 0.00 H new ATOM 0 HA SER A 105 16.789 2.590 -5.896 1.00 0.00 H new ATOM 0 HB2 SER A 105 16.960 2.402 -2.862 1.00 0.00 H new ATOM 0 HB3 SER A 105 18.151 3.155 -3.904 1.00 0.00 H new ATOM 0 HG SER A 105 16.654 4.698 -3.022 1.00 0.00 H new ATOM 1684 N LYS A 106 16.842 -0.305 -5.506 1.00 0.00 N ATOM 1685 CA LYS A 106 17.516 -1.583 -5.655 1.00 0.00 C ATOM 1686 C LYS A 106 16.703 -2.469 -6.595 1.00 0.00 C ATOM 1687 O LYS A 106 15.828 -3.212 -6.106 1.00 0.00 O ATOM 1688 CB LYS A 106 17.687 -2.270 -4.293 1.00 0.00 C ATOM 1689 CG LYS A 106 18.935 -3.141 -4.178 1.00 0.00 C ATOM 1690 CD LYS A 106 18.975 -4.237 -5.231 1.00 0.00 C ATOM 1691 CE LYS A 106 20.211 -5.111 -5.087 1.00 0.00 C ATOM 1692 NZ LYS A 106 21.470 -4.328 -5.188 1.00 0.00 N ATOM 1693 OXT LYS A 106 16.930 -2.405 -7.823 1.00 0.00 O ATOM 0 H LYS A 106 15.867 -0.307 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 106 18.508 -1.417 -6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 106 17.719 -1.506 -3.516 1.00 0.00 H new ATOM 0 HB3 LYS A 106 16.809 -2.886 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 106 19.822 -2.515 -4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 106 18.970 -3.592 -3.186 1.00 0.00 H new ATOM 0 HD2 LYS A 106 18.081 -4.855 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 106 18.961 -3.788 -6.224 1.00 0.00 H new ATOM 0 HE2 LYS A 106 20.181 -5.624 -4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 106 20.201 -5.880 -5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 22.274 -4.977 -5.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 21.417 -3.690 -6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 21.601 -3.768 -4.322 1.00 0.00 H new TER 1707 LYS A 106