USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 715 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 27 SER OG : rot -170:sc= -0.0958 USER MOD Set 1.2: A 32 ASN : amide:sc= 0 X(o=-0.096,f=-0.096) USER MOD Set 2.1: A 7 LYS NZ :NH3+ -114:sc= 2.38 (180deg=-1.04) USER MOD Set 2.2: A 28 SER OG : rot 75:sc= 0.00775 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 111:sc= 1.22 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= -2.4! USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.86! C(o=-1.9!,f=-6.2!) USER MOD Single : A 20 ASN : amide:sc= -0.559 K(o=-0.56,f=-1.5) USER MOD Single : A 21 LYS NZ :NH3+ 149:sc= 1.27 (180deg=1.16) USER MOD Single : A 23 THR OG1 : rot 22:sc=0.000455 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0146 K(o=-0.015,f=-2.1!) USER MOD Single : A 45 TYR OH : rot 148:sc= 0.0437 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 23:sc= -0.609 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 35:sc= 0.676 USER MOD Single : A 58 THR OG1 : rot 34:sc= 0.0746 USER MOD Single : A 59 MET CE :methyl 150:sc= -0.399 (180deg=-1.66!) USER MOD Single : A 62 ASN : amide:sc= -0.0925 X(o=-0.093,f=-0.041) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= -0.0615 (180deg=-0.406) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.991 K(o=-0.99,f=-4.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -140:sc= -0.951! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ -173:sc= -0.01 (180deg=-0.455) USER MOD Single : A 105 LYS NZ :NH3+ -165:sc= -0.0371 (180deg=-0.288) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.278 -12.135 3.296 1.00 0.00 N ATOM 2 CA ALA A 1 9.197 -12.154 4.307 1.00 0.00 C ATOM 3 C ALA A 1 9.147 -10.830 5.058 1.00 0.00 C ATOM 4 O ALA A 1 10.182 -10.305 5.472 1.00 0.00 O ATOM 5 CB ALA A 1 9.401 -13.303 5.279 1.00 0.00 C ATOM 0 H1 ALA A 1 10.299 -13.045 2.793 1.00 0.00 H new ATOM 0 H2 ALA A 1 10.104 -11.367 2.616 1.00 0.00 H new ATOM 0 H3 ALA A 1 11.192 -11.979 3.768 1.00 0.00 H new ATOM 0 HA ALA A 1 8.247 -12.298 3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 1 8.598 -13.303 6.016 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.393 -14.247 4.734 1.00 0.00 H new ATOM 0 HB3 ALA A 1 10.359 -13.185 5.786 1.00 0.00 H new ATOM 13 N PHE A 2 7.946 -10.296 5.231 1.00 0.00 N ATOM 14 CA PHE A 2 7.772 -9.040 5.940 1.00 0.00 C ATOM 15 C PHE A 2 7.598 -9.282 7.438 1.00 0.00 C ATOM 16 O PHE A 2 8.549 -9.677 8.119 1.00 0.00 O ATOM 17 CB PHE A 2 6.584 -8.246 5.383 1.00 0.00 C ATOM 18 CG PHE A 2 6.793 -7.723 3.992 1.00 0.00 C ATOM 19 CD1 PHE A 2 6.652 -8.556 2.894 1.00 0.00 C ATOM 20 CD2 PHE A 2 7.119 -6.394 3.784 1.00 0.00 C ATOM 21 CE1 PHE A 2 6.830 -8.071 1.613 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.298 -5.903 2.506 1.00 0.00 C ATOM 23 CZ PHE A 2 7.157 -6.744 1.419 1.00 0.00 C ATOM 0 H PHE A 2 7.080 -10.714 4.890 1.00 0.00 H new ATOM 0 HA PHE A 2 8.674 -8.447 5.788 1.00 0.00 H new ATOM 0 HB2 PHE A 2 5.700 -8.883 5.391 1.00 0.00 H new ATOM 0 HB3 PHE A 2 6.378 -7.407 6.048 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.400 -9.596 3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.235 -5.734 4.631 1.00 0.00 H new ATOM 0 HE1 PHE A 2 6.714 -8.729 0.765 1.00 0.00 H new ATOM 0 HE2 PHE A 2 7.548 -4.863 2.356 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.302 -6.364 0.419 1.00 0.00 H new ATOM 32 N ASP A 3 6.405 -8.966 7.949 1.00 0.00 N ATOM 33 CA ASP A 3 6.118 -9.020 9.381 1.00 0.00 C ATOM 34 C ASP A 3 7.111 -8.147 10.137 1.00 0.00 C ATOM 35 O ASP A 3 7.906 -8.625 10.947 1.00 0.00 O ATOM 36 CB ASP A 3 6.124 -10.457 9.907 1.00 0.00 C ATOM 37 CG ASP A 3 5.689 -10.534 11.356 1.00 0.00 C ATOM 38 OD1 ASP A 3 4.647 -9.943 11.700 1.00 0.00 O ATOM 39 OD2 ASP A 3 6.386 -11.187 12.160 1.00 0.00 O ATOM 0 H ASP A 3 5.613 -8.666 7.380 1.00 0.00 H new ATOM 0 HA ASP A 3 5.113 -8.632 9.546 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.460 -11.069 9.296 1.00 0.00 H new ATOM 0 HB3 ASP A 3 7.125 -10.875 9.807 1.00 0.00 H new ATOM 43 N GLY A 4 7.161 -6.889 9.736 1.00 0.00 N ATOM 44 CA GLY A 4 8.146 -5.973 10.260 1.00 0.00 C ATOM 45 C GLY A 4 7.799 -4.542 9.927 1.00 0.00 C ATOM 46 O GLY A 4 6.915 -4.292 9.102 1.00 0.00 O ATOM 0 H GLY A 4 6.528 -6.482 9.048 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.215 -6.090 11.341 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.126 -6.216 9.850 1.00 0.00 H new ATOM 50 N THR A 5 8.478 -3.604 10.564 1.00 0.00 N ATOM 51 CA THR A 5 8.230 -2.198 10.317 1.00 0.00 C ATOM 52 C THR A 5 9.301 -1.633 9.389 1.00 0.00 C ATOM 53 O THR A 5 10.498 -1.817 9.615 1.00 0.00 O ATOM 54 CB THR A 5 8.205 -1.396 11.634 1.00 0.00 C ATOM 55 OG1 THR A 5 9.431 -1.576 12.352 1.00 0.00 O ATOM 56 CG2 THR A 5 7.042 -1.828 12.506 1.00 0.00 C ATOM 0 H THR A 5 9.204 -3.792 11.255 1.00 0.00 H new ATOM 0 HA THR A 5 7.253 -2.107 9.843 1.00 0.00 H new ATOM 0 HB THR A 5 8.086 -0.342 11.382 1.00 0.00 H new ATOM 0 HG1 THR A 5 9.940 -0.739 12.345 1.00 0.00 H new ATOM 0 HG21 THR A 5 7.045 -1.249 13.429 1.00 0.00 H new ATOM 0 HG22 THR A 5 6.106 -1.659 11.974 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.138 -2.888 12.742 1.00 0.00 H new ATOM 64 N TRP A 6 8.858 -1.045 8.287 1.00 0.00 N ATOM 65 CA TRP A 6 9.765 -0.524 7.269 1.00 0.00 C ATOM 66 C TRP A 6 9.407 0.930 6.985 1.00 0.00 C ATOM 67 O TRP A 6 8.391 1.196 6.346 1.00 0.00 O ATOM 68 CB TRP A 6 9.649 -1.317 5.947 1.00 0.00 C ATOM 69 CG TRP A 6 9.849 -2.814 6.029 1.00 0.00 C ATOM 70 CD1 TRP A 6 9.582 -3.642 7.084 1.00 0.00 C ATOM 71 CD2 TRP A 6 10.316 -3.666 4.974 1.00 0.00 C ATOM 72 NE1 TRP A 6 9.883 -4.942 6.760 1.00 0.00 N ATOM 73 CE2 TRP A 6 10.330 -4.984 5.470 1.00 0.00 C ATOM 74 CE3 TRP A 6 10.733 -3.443 3.659 1.00 0.00 C ATOM 75 CZ2 TRP A 6 10.743 -6.068 4.701 1.00 0.00 C ATOM 76 CZ3 TRP A 6 11.140 -4.522 2.896 1.00 0.00 C ATOM 77 CH2 TRP A 6 11.142 -5.820 3.419 1.00 0.00 C ATOM 0 H TRP A 6 7.869 -0.915 8.072 1.00 0.00 H new ATOM 0 HA TRP A 6 10.784 -0.616 7.645 1.00 0.00 H new ATOM 0 HB2 TRP A 6 8.662 -1.129 5.524 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.379 -0.915 5.245 1.00 0.00 H new ATOM 0 HD1 TRP A 6 9.190 -3.319 8.037 1.00 0.00 H new ATOM 0 HE1 TRP A 6 9.788 -5.745 7.381 1.00 0.00 H new ATOM 0 HE3 TRP A 6 10.737 -2.445 3.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 10.748 -7.070 5.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.462 -4.360 1.878 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.465 -6.641 2.797 1.00 0.00 H new ATOM 87 N LYS A 7 10.193 1.871 7.496 1.00 0.00 N ATOM 88 CA LYS A 7 9.851 3.280 7.344 1.00 0.00 C ATOM 89 C LYS A 7 11.009 4.202 7.707 1.00 0.00 C ATOM 90 O LYS A 7 12.027 3.768 8.240 1.00 0.00 O ATOM 91 CB LYS A 7 8.620 3.621 8.191 1.00 0.00 C ATOM 92 CG LYS A 7 7.797 4.781 7.648 1.00 0.00 C ATOM 93 CD LYS A 7 7.258 4.482 6.258 1.00 0.00 C ATOM 94 CE LYS A 7 6.236 5.519 5.807 1.00 0.00 C ATOM 95 NZ LYS A 7 4.995 5.488 6.628 1.00 0.00 N ATOM 0 H LYS A 7 11.055 1.689 8.010 1.00 0.00 H new ATOM 0 HA LYS A 7 9.626 3.444 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.984 2.739 8.261 1.00 0.00 H new ATOM 0 HB3 LYS A 7 8.944 3.861 9.204 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.967 4.987 8.324 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.412 5.680 7.615 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.084 4.454 5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.799 3.494 6.252 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.681 6.512 5.864 1.00 0.00 H new ATOM 0 HE3 LYS A 7 5.981 5.343 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.196 5.180 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.118 4.823 7.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.803 6.439 7.002 1.00 0.00 H new ATOM 105 N VAL A 8 10.837 5.478 7.388 1.00 0.00 N ATOM 106 CA VAL A 8 11.828 6.504 7.671 1.00 0.00 C ATOM 107 C VAL A 8 11.414 7.272 8.929 1.00 0.00 C ATOM 108 O VAL A 8 10.222 7.355 9.232 1.00 0.00 O ATOM 109 CB VAL A 8 11.953 7.479 6.477 1.00 0.00 C ATOM 110 CG1 VAL A 8 12.979 8.566 6.752 1.00 0.00 C ATOM 111 CG2 VAL A 8 12.305 6.722 5.205 1.00 0.00 C ATOM 0 H VAL A 8 10.001 5.831 6.923 1.00 0.00 H new ATOM 0 HA VAL A 8 12.796 6.030 7.832 1.00 0.00 H new ATOM 0 HB VAL A 8 10.986 7.963 6.340 1.00 0.00 H new ATOM 0 HG11 VAL A 8 13.041 9.233 5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 8 12.679 9.135 7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.953 8.110 6.929 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.389 7.424 4.375 1.00 0.00 H new ATOM 0 HG22 VAL A 8 13.255 6.205 5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 8 11.524 5.994 4.987 1.00 0.00 H new ATOM 121 N GLY A 9 12.406 7.695 9.714 1.00 0.00 N ATOM 122 CA GLY A 9 12.155 8.319 11.007 1.00 0.00 C ATOM 123 C GLY A 9 11.098 9.404 10.965 1.00 0.00 C ATOM 124 O GLY A 9 11.050 10.206 10.030 1.00 0.00 O ATOM 0 H GLY A 9 13.394 7.615 9.472 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.847 7.552 11.717 1.00 0.00 H new ATOM 0 HA3 GLY A 9 13.086 8.745 11.382 1.00 0.00 H new ATOM 128 N GLY A 10 10.203 9.372 11.943 1.00 0.00 N ATOM 129 CA GLY A 10 9.082 10.291 11.969 1.00 0.00 C ATOM 130 C GLY A 10 7.813 9.619 11.493 1.00 0.00 C ATOM 131 O GLY A 10 6.732 9.821 12.052 1.00 0.00 O ATOM 0 H GLY A 10 10.234 8.719 12.726 1.00 0.00 H new ATOM 0 HA2 GLY A 10 8.940 10.667 12.982 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.300 11.152 11.337 1.00 0.00 H new ATOM 135 N LEU A 11 7.967 8.754 10.508 1.00 0.00 N ATOM 136 CA LEU A 11 6.862 7.969 9.986 1.00 0.00 C ATOM 137 C LEU A 11 6.993 6.532 10.471 1.00 0.00 C ATOM 138 O LEU A 11 8.074 6.102 10.880 1.00 0.00 O ATOM 139 CB LEU A 11 6.869 7.999 8.453 1.00 0.00 C ATOM 140 CG LEU A 11 7.175 9.357 7.810 1.00 0.00 C ATOM 141 CD1 LEU A 11 7.084 9.257 6.296 1.00 0.00 C ATOM 142 CD2 LEU A 11 6.233 10.429 8.329 1.00 0.00 C ATOM 0 H LEU A 11 8.859 8.575 10.047 1.00 0.00 H new ATOM 0 HA LEU A 11 5.923 8.393 10.341 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.605 7.277 8.098 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.895 7.662 8.098 1.00 0.00 H new ATOM 0 HG LEU A 11 8.192 9.641 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.304 10.229 5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.805 8.523 5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.078 8.948 6.012 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.471 11.382 7.857 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.205 10.155 8.094 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.346 10.521 9.409 1.00 0.00 H new ATOM 153 N LYS A 12 5.920 5.772 10.358 1.00 0.00 N ATOM 154 CA LYS A 12 5.952 4.361 10.702 1.00 0.00 C ATOM 155 C LYS A 12 5.140 3.565 9.693 1.00 0.00 C ATOM 156 O LYS A 12 4.245 4.105 9.039 1.00 0.00 O ATOM 157 CB LYS A 12 5.440 4.122 12.131 1.00 0.00 C ATOM 158 CG LYS A 12 4.010 4.574 12.370 1.00 0.00 C ATOM 159 CD LYS A 12 3.570 4.310 13.802 1.00 0.00 C ATOM 160 CE LYS A 12 4.367 5.140 14.798 1.00 0.00 C ATOM 161 NZ LYS A 12 3.989 4.841 16.205 1.00 0.00 N ATOM 0 H LYS A 12 5.014 6.107 10.030 1.00 0.00 H new ATOM 0 HA LYS A 12 6.987 4.021 10.668 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.514 3.058 12.357 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.094 4.643 12.830 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.923 5.639 12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.344 4.053 11.682 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.509 4.538 13.905 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.692 3.251 14.031 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.431 4.947 14.660 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.206 6.199 14.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.556 5.428 16.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 2.980 5.049 16.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.166 3.836 16.406 1.00 0.00 H new ATOM 171 N LEU A 13 5.556 2.333 9.466 1.00 0.00 N ATOM 172 CA LEU A 13 4.923 1.470 8.483 1.00 0.00 C ATOM 173 C LEU A 13 5.157 0.029 8.892 1.00 0.00 C ATOM 174 O LEU A 13 6.252 -0.328 9.308 1.00 0.00 O ATOM 175 CB LEU A 13 5.495 1.740 7.081 1.00 0.00 C ATOM 176 CG LEU A 13 4.579 1.409 5.888 1.00 0.00 C ATOM 177 CD1 LEU A 13 5.180 1.941 4.594 1.00 0.00 C ATOM 178 CD2 LEU A 13 4.343 -0.088 5.769 1.00 0.00 C ATOM 0 H LEU A 13 6.340 1.902 9.956 1.00 0.00 H new ATOM 0 HA LEU A 13 3.852 1.672 8.444 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.766 2.794 7.021 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.416 1.167 6.973 1.00 0.00 H new ATOM 0 HG LEU A 13 3.619 1.893 6.065 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.521 1.699 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.295 3.023 4.664 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.155 1.483 4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.693 -0.287 4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.296 -0.596 5.624 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.871 -0.455 6.680 1.00 0.00 H new ATOM 189 N THR A 14 4.108 -0.764 8.877 1.00 0.00 N ATOM 190 CA THR A 14 4.190 -2.135 9.331 1.00 0.00 C ATOM 191 C THR A 14 3.371 -3.034 8.423 1.00 0.00 C ATOM 192 O THR A 14 2.194 -2.777 8.187 1.00 0.00 O ATOM 193 CB THR A 14 3.663 -2.256 10.774 1.00 0.00 C ATOM 194 OG1 THR A 14 4.176 -1.176 11.567 1.00 0.00 O ATOM 195 CG2 THR A 14 4.070 -3.586 11.392 1.00 0.00 C ATOM 0 H THR A 14 3.183 -0.481 8.553 1.00 0.00 H new ATOM 0 HA THR A 14 5.235 -2.443 9.304 1.00 0.00 H new ATOM 0 HB THR A 14 2.574 -2.208 10.749 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.838 -1.254 12.484 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.686 -3.647 12.410 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.659 -4.403 10.800 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.157 -3.662 11.409 1.00 0.00 H new ATOM 203 N ILE A 15 3.993 -4.080 7.917 1.00 0.00 N ATOM 204 CA ILE A 15 3.294 -5.035 7.078 1.00 0.00 C ATOM 205 C ILE A 15 3.308 -6.395 7.743 1.00 0.00 C ATOM 206 O ILE A 15 4.369 -6.920 8.067 1.00 0.00 O ATOM 207 CB ILE A 15 3.931 -5.150 5.682 1.00 0.00 C ATOM 208 CG1 ILE A 15 3.963 -3.777 5.000 1.00 0.00 C ATOM 209 CG2 ILE A 15 3.170 -6.161 4.829 1.00 0.00 C ATOM 210 CD1 ILE A 15 4.588 -3.789 3.620 1.00 0.00 C ATOM 0 H ILE A 15 4.979 -4.291 8.071 1.00 0.00 H new ATOM 0 HA ILE A 15 2.271 -4.679 6.953 1.00 0.00 H new ATOM 0 HB ILE A 15 4.956 -5.504 5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.944 -3.397 4.923 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.516 -3.082 5.632 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.634 -6.230 3.845 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.197 -7.138 5.312 1.00 0.00 H new ATOM 0 HG23 ILE A 15 2.134 -5.839 4.720 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.573 -2.781 3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.619 -4.137 3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.023 -4.457 2.970 1.00 0.00 H new ATOM 221 N THR A 16 2.132 -6.926 7.999 1.00 0.00 N ATOM 222 CA THR A 16 2.010 -8.193 8.685 1.00 0.00 C ATOM 223 C THR A 16 1.225 -9.180 7.828 1.00 0.00 C ATOM 224 O THR A 16 0.303 -8.781 7.113 1.00 0.00 O ATOM 225 CB THR A 16 1.301 -8.010 10.044 1.00 0.00 C ATOM 226 OG1 THR A 16 1.832 -6.860 10.719 1.00 0.00 O ATOM 227 CG2 THR A 16 1.470 -9.239 10.926 1.00 0.00 C ATOM 0 H THR A 16 1.243 -6.497 7.741 1.00 0.00 H new ATOM 0 HA THR A 16 3.012 -8.584 8.861 1.00 0.00 H new ATOM 0 HB THR A 16 0.237 -7.869 9.852 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.378 -6.747 11.580 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.959 -9.078 11.876 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.041 -10.107 10.426 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.530 -9.412 11.109 1.00 0.00 H new ATOM 235 N GLN A 17 1.599 -10.458 7.878 1.00 0.00 N ATOM 236 CA GLN A 17 0.902 -11.479 7.105 1.00 0.00 C ATOM 237 C GLN A 17 0.820 -12.798 7.859 1.00 0.00 C ATOM 238 O GLN A 17 1.809 -13.268 8.421 1.00 0.00 O ATOM 239 CB GLN A 17 1.552 -11.718 5.733 1.00 0.00 C ATOM 240 CG GLN A 17 2.793 -10.879 5.435 1.00 0.00 C ATOM 241 CD GLN A 17 4.078 -11.410 6.057 1.00 0.00 C ATOM 242 OE1 GLN A 17 5.164 -10.934 5.740 1.00 0.00 O ATOM 243 NE2 GLN A 17 3.978 -12.383 6.943 1.00 0.00 N ATOM 0 H GLN A 17 2.374 -10.807 8.441 1.00 0.00 H new ATOM 0 HA GLN A 17 -0.106 -11.096 6.947 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.821 -12.772 5.657 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.809 -11.522 4.960 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.925 -10.819 4.355 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.624 -9.863 5.792 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.062 -12.759 7.187 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.817 -12.759 7.384 1.00 0.00 H new ATOM 250 N GLU A 18 -0.348 -13.419 7.787 1.00 0.00 N ATOM 251 CA GLU A 18 -0.574 -14.735 8.372 1.00 0.00 C ATOM 252 C GLU A 18 -0.137 -15.816 7.373 1.00 0.00 C ATOM 253 O GLU A 18 0.865 -15.640 6.677 1.00 0.00 O ATOM 254 CB GLU A 18 -2.059 -14.876 8.722 1.00 0.00 C ATOM 255 CG GLU A 18 -2.640 -13.669 9.440 1.00 0.00 C ATOM 256 CD GLU A 18 -2.171 -13.544 10.873 1.00 0.00 C ATOM 257 OE1 GLU A 18 -0.951 -13.448 11.108 1.00 0.00 O ATOM 258 OE2 GLU A 18 -3.037 -13.517 11.778 1.00 0.00 O ATOM 0 H GLU A 18 -1.166 -13.026 7.322 1.00 0.00 H new ATOM 0 HA GLU A 18 0.012 -14.853 9.283 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.623 -15.048 7.805 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.192 -15.758 9.348 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.368 -12.765 8.895 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.728 -13.735 9.425 1.00 0.00 H new ATOM 263 N GLY A 19 -0.955 -16.855 7.190 1.00 0.00 N ATOM 264 CA GLY A 19 -0.690 -17.820 6.136 1.00 0.00 C ATOM 265 C GLY A 19 -0.841 -17.170 4.776 1.00 0.00 C ATOM 266 O GLY A 19 0.068 -17.222 3.948 1.00 0.00 O ATOM 0 H GLY A 19 -1.788 -17.043 7.748 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.318 -18.220 6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.378 -18.661 6.223 1.00 0.00 H new ATOM 270 N ASN A 20 -1.876 -16.345 4.681 1.00 0.00 N ATOM 271 CA ASN A 20 -2.054 -15.431 3.566 1.00 0.00 C ATOM 272 C ASN A 20 -3.074 -14.371 3.971 1.00 0.00 C ATOM 273 O ASN A 20 -4.283 -14.573 3.895 1.00 0.00 O ATOM 274 CB ASN A 20 -2.498 -16.177 2.286 1.00 0.00 C ATOM 275 CG ASN A 20 -3.824 -16.918 2.425 1.00 0.00 C ATOM 276 OD1 ASN A 20 -4.000 -17.764 3.304 1.00 0.00 O ATOM 277 ND2 ASN A 20 -4.762 -16.625 1.534 1.00 0.00 N ATOM 0 H ASN A 20 -2.617 -16.293 5.380 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.102 -14.955 3.331 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.579 -15.459 1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -1.723 -16.891 2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.661 -17.105 1.564 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.584 -15.919 0.819 1.00 0.00 H new ATOM 283 N LYS A 21 -2.550 -13.239 4.415 1.00 0.00 N ATOM 284 CA LYS A 21 -3.349 -12.103 4.875 1.00 0.00 C ATOM 285 C LYS A 21 -2.427 -10.912 5.066 1.00 0.00 C ATOM 286 O LYS A 21 -1.627 -10.908 5.992 1.00 0.00 O ATOM 287 CB LYS A 21 -4.047 -12.423 6.207 1.00 0.00 C ATOM 288 CG LYS A 21 -5.509 -12.824 6.075 1.00 0.00 C ATOM 289 CD LYS A 21 -6.104 -13.176 7.429 1.00 0.00 C ATOM 290 CE LYS A 21 -7.622 -13.263 7.379 1.00 0.00 C ATOM 291 NZ LYS A 21 -8.102 -14.402 6.553 1.00 0.00 N ATOM 0 H LYS A 21 -1.544 -13.077 4.469 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.116 -11.884 4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.506 -13.230 6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.980 -11.550 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.074 -12.007 5.627 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.596 -13.678 5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.697 -14.129 7.767 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.808 -12.425 8.161 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.010 -13.365 8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.023 -12.333 6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.006 -14.749 6.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.237 -14.086 5.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.399 -15.168 6.576 1.00 0.00 H new ATOM 301 N PHE A 22 -2.472 -9.947 4.169 1.00 0.00 N ATOM 302 CA PHE A 22 -1.550 -8.824 4.250 1.00 0.00 C ATOM 303 C PHE A 22 -2.240 -7.574 4.775 1.00 0.00 C ATOM 304 O PHE A 22 -3.316 -7.199 4.310 1.00 0.00 O ATOM 305 CB PHE A 22 -0.920 -8.536 2.885 1.00 0.00 C ATOM 306 CG PHE A 22 0.193 -9.473 2.492 1.00 0.00 C ATOM 307 CD1 PHE A 22 0.048 -10.849 2.596 1.00 0.00 C ATOM 308 CD2 PHE A 22 1.388 -8.969 2.006 1.00 0.00 C ATOM 309 CE1 PHE A 22 1.074 -11.700 2.227 1.00 0.00 C ATOM 310 CE2 PHE A 22 2.416 -9.814 1.634 1.00 0.00 C ATOM 311 CZ PHE A 22 2.259 -11.182 1.745 1.00 0.00 C ATOM 0 H PHE A 22 -3.125 -9.914 3.386 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.763 -9.101 4.951 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.699 -8.581 2.124 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.534 -7.517 2.886 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -0.878 -11.261 2.970 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.518 -7.901 1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.948 -12.769 2.316 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.342 -9.405 1.257 1.00 0.00 H new ATOM 0 HZ PHE A 22 3.061 -11.844 1.455 1.00 0.00 H new ATOM 320 N THR A 23 -1.577 -6.892 5.690 1.00 0.00 N ATOM 321 CA THR A 23 -2.066 -5.626 6.199 1.00 0.00 C ATOM 322 C THR A 23 -0.919 -4.624 6.258 1.00 0.00 C ATOM 323 O THR A 23 0.220 -4.989 6.561 1.00 0.00 O ATOM 324 CB THR A 23 -2.727 -5.771 7.592 1.00 0.00 C ATOM 325 OG1 THR A 23 -3.362 -4.540 7.965 1.00 0.00 O ATOM 326 CG2 THR A 23 -1.706 -6.151 8.656 1.00 0.00 C ATOM 0 H THR A 23 -0.693 -7.197 6.098 1.00 0.00 H new ATOM 0 HA THR A 23 -2.836 -5.266 5.517 1.00 0.00 H new ATOM 0 HB THR A 23 -3.469 -6.567 7.525 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.545 -4.010 7.161 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.204 -6.244 9.621 1.00 0.00 H new ATOM 0 HG22 THR A 23 -1.243 -7.102 8.393 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.939 -5.379 8.717 1.00 0.00 H new ATOM 334 N VAL A 24 -1.198 -3.394 5.848 1.00 0.00 N ATOM 335 CA VAL A 24 -0.179 -2.363 5.775 1.00 0.00 C ATOM 336 C VAL A 24 -0.542 -1.203 6.683 1.00 0.00 C ATOM 337 O VAL A 24 -1.646 -0.671 6.608 1.00 0.00 O ATOM 338 CB VAL A 24 -0.002 -1.844 4.329 1.00 0.00 C ATOM 339 CG1 VAL A 24 1.043 -0.739 4.267 1.00 0.00 C ATOM 340 CG2 VAL A 24 0.375 -2.984 3.395 1.00 0.00 C ATOM 0 H VAL A 24 -2.127 -3.088 5.560 1.00 0.00 H new ATOM 0 HA VAL A 24 0.762 -2.807 6.101 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.955 -1.427 4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.146 -0.393 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.732 0.092 4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.000 -1.124 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.495 -2.600 2.382 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.312 -3.432 3.727 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.412 -3.739 3.406 1.00 0.00 H new ATOM 350 N LYS A 25 0.385 -0.827 7.541 1.00 0.00 N ATOM 351 CA LYS A 25 0.163 0.260 8.475 1.00 0.00 C ATOM 352 C LYS A 25 0.866 1.508 7.972 1.00 0.00 C ATOM 353 O LYS A 25 2.090 1.541 7.873 1.00 0.00 O ATOM 354 CB LYS A 25 0.699 -0.128 9.854 1.00 0.00 C ATOM 355 CG LYS A 25 0.448 0.906 10.937 1.00 0.00 C ATOM 356 CD LYS A 25 1.081 0.473 12.248 1.00 0.00 C ATOM 357 CE LYS A 25 0.808 1.464 13.367 1.00 0.00 C ATOM 358 NZ LYS A 25 1.449 1.046 14.643 1.00 0.00 N ATOM 0 H LYS A 25 1.305 -1.261 7.611 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.905 0.460 8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.243 -1.071 10.156 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.772 -0.303 9.777 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.857 1.868 10.630 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.625 1.045 11.073 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.696 -0.507 12.530 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.157 0.366 12.113 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.178 2.448 13.079 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.268 1.559 13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.240 1.747 15.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.077 0.118 14.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.478 0.980 14.509 1.00 0.00 H new ATOM 368 N GLU A 26 0.083 2.493 7.573 1.00 0.00 N ATOM 369 CA GLU A 26 0.623 3.713 6.998 1.00 0.00 C ATOM 370 C GLU A 26 0.568 4.849 8.013 1.00 0.00 C ATOM 371 O GLU A 26 -0.415 5.008 8.741 1.00 0.00 O ATOM 372 CB GLU A 26 -0.159 4.093 5.734 1.00 0.00 C ATOM 373 CG GLU A 26 0.711 4.551 4.565 1.00 0.00 C ATOM 374 CD GLU A 26 1.592 5.740 4.894 1.00 0.00 C ATOM 375 OE1 GLU A 26 2.636 5.550 5.556 1.00 0.00 O ATOM 376 OE2 GLU A 26 1.235 6.874 4.515 1.00 0.00 O ATOM 0 H GLU A 26 -0.935 2.472 7.637 1.00 0.00 H new ATOM 0 HA GLU A 26 1.665 3.539 6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.750 3.234 5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.861 4.889 5.982 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.340 3.721 4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.068 4.808 3.723 1.00 0.00 H new ATOM 381 N SER A 27 1.606 5.664 8.011 1.00 0.00 N ATOM 382 CA SER A 27 1.689 6.845 8.853 1.00 0.00 C ATOM 383 C SER A 27 2.692 7.805 8.245 1.00 0.00 C ATOM 384 O SER A 27 3.875 7.474 8.132 1.00 0.00 O ATOM 385 CB SER A 27 2.135 6.481 10.272 1.00 0.00 C ATOM 386 OG SER A 27 1.271 5.526 10.859 1.00 0.00 O ATOM 0 H SER A 27 2.425 5.524 7.419 1.00 0.00 H new ATOM 0 HA SER A 27 0.702 7.305 8.913 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.151 6.086 10.245 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.158 7.379 10.889 1.00 0.00 H new ATOM 0 HG SER A 27 1.485 5.432 11.811 1.00 0.00 H new ATOM 391 N SER A 28 2.219 8.959 7.796 1.00 0.00 N ATOM 392 CA SER A 28 3.084 9.920 7.131 1.00 0.00 C ATOM 393 C SER A 28 2.584 11.347 7.325 1.00 0.00 C ATOM 394 O SER A 28 1.548 11.726 6.772 1.00 0.00 O ATOM 395 CB SER A 28 3.170 9.608 5.633 1.00 0.00 C ATOM 396 OG SER A 28 3.628 8.285 5.396 1.00 0.00 O ATOM 0 H SER A 28 1.245 9.251 7.880 1.00 0.00 H new ATOM 0 HA SER A 28 4.074 9.838 7.580 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.189 9.740 5.177 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.843 10.318 5.152 1.00 0.00 H new ATOM 0 HG SER A 28 2.910 7.649 5.598 1.00 0.00 H new ATOM 401 N ASN A 29 3.392 12.147 8.031 1.00 0.00 N ATOM 402 CA ASN A 29 3.158 13.587 8.230 1.00 0.00 C ATOM 403 C ASN A 29 1.921 13.869 9.087 1.00 0.00 C ATOM 404 O ASN A 29 2.003 14.568 10.097 1.00 0.00 O ATOM 405 CB ASN A 29 3.047 14.318 6.881 1.00 0.00 C ATOM 406 CG ASN A 29 4.282 14.137 6.009 1.00 0.00 C ATOM 407 OD1 ASN A 29 4.576 13.032 5.541 1.00 0.00 O ATOM 408 ND2 ASN A 29 5.019 15.214 5.783 1.00 0.00 N ATOM 0 H ASN A 29 4.239 11.810 8.488 1.00 0.00 H new ATOM 0 HA ASN A 29 4.023 13.969 8.772 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.172 13.951 6.345 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.887 15.381 7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.858 15.146 5.207 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.747 16.111 6.185 1.00 0.00 H new ATOM 414 N PHE A 30 0.785 13.323 8.684 1.00 0.00 N ATOM 415 CA PHE A 30 -0.476 13.508 9.389 1.00 0.00 C ATOM 416 C PHE A 30 -1.424 12.374 9.031 1.00 0.00 C ATOM 417 O PHE A 30 -2.537 12.594 8.552 1.00 0.00 O ATOM 418 CB PHE A 30 -1.106 14.871 9.047 1.00 0.00 C ATOM 419 CG PHE A 30 -1.011 15.279 7.592 1.00 0.00 C ATOM 420 CD1 PHE A 30 -1.149 14.354 6.569 1.00 0.00 C ATOM 421 CD2 PHE A 30 -0.787 16.603 7.256 1.00 0.00 C ATOM 422 CE1 PHE A 30 -1.064 14.740 5.246 1.00 0.00 C ATOM 423 CE2 PHE A 30 -0.701 16.996 5.935 1.00 0.00 C ATOM 424 CZ PHE A 30 -0.840 16.063 4.929 1.00 0.00 C ATOM 0 H PHE A 30 0.710 12.735 7.854 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.286 13.494 10.462 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.157 14.849 9.334 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.626 15.638 9.655 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.326 13.316 6.810 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.678 17.339 8.038 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.173 14.007 4.461 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.525 18.033 5.690 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.774 16.368 3.895 1.00 0.00 H new ATOM 433 N ARG A 31 -0.914 11.158 9.131 1.00 0.00 N ATOM 434 CA ARG A 31 -1.642 9.994 8.664 1.00 0.00 C ATOM 435 C ARG A 31 -1.482 8.818 9.610 1.00 0.00 C ATOM 436 O ARG A 31 -0.397 8.568 10.128 1.00 0.00 O ATOM 437 CB ARG A 31 -1.153 9.612 7.266 1.00 0.00 C ATOM 438 CG ARG A 31 -2.214 9.784 6.197 1.00 0.00 C ATOM 439 CD ARG A 31 -1.626 10.313 4.898 1.00 0.00 C ATOM 440 NE ARG A 31 -0.564 9.462 4.364 1.00 0.00 N ATOM 441 CZ ARG A 31 0.163 9.774 3.291 1.00 0.00 C ATOM 442 NH1 ARG A 31 -0.057 10.911 2.639 1.00 0.00 N ATOM 443 NH2 ARG A 31 1.115 8.951 2.875 1.00 0.00 N ATOM 0 H ARG A 31 0.001 10.953 9.532 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.701 10.248 8.628 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.287 10.223 7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.820 8.574 7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.702 8.827 6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.982 10.470 6.554 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.420 10.403 4.156 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.231 11.315 5.066 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.368 8.581 4.839 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.785 11.550 2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.502 11.145 1.819 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.291 8.080 3.376 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.672 9.189 2.054 1.00 0.00 H new ATOM 454 N ASN A 32 -2.560 8.070 9.771 1.00 0.00 N ATOM 455 CA ASN A 32 -2.556 6.858 10.577 1.00 0.00 C ATOM 456 C ASN A 32 -3.685 5.954 10.109 1.00 0.00 C ATOM 457 O ASN A 32 -4.862 6.283 10.279 1.00 0.00 O ATOM 458 CB ASN A 32 -2.733 7.196 12.061 1.00 0.00 C ATOM 459 CG ASN A 32 -2.583 5.979 12.954 1.00 0.00 C ATOM 460 OD1 ASN A 32 -1.518 5.366 13.012 1.00 0.00 O ATOM 461 ND2 ASN A 32 -3.642 5.629 13.666 1.00 0.00 N ATOM 0 H ASN A 32 -3.463 8.284 9.348 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.600 6.349 10.458 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.998 7.948 12.350 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.718 7.637 12.215 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -3.593 4.825 14.291 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -4.507 6.164 13.590 1.00 0.00 H new ATOM 467 N ILE A 33 -3.328 4.920 9.361 1.00 0.00 N ATOM 468 CA ILE A 33 -4.319 4.082 8.697 1.00 0.00 C ATOM 469 C ILE A 33 -3.727 2.729 8.297 1.00 0.00 C ATOM 470 O ILE A 33 -2.606 2.660 7.795 1.00 0.00 O ATOM 471 CB ILE A 33 -4.868 4.799 7.436 1.00 0.00 C ATOM 472 CG1 ILE A 33 -5.783 3.875 6.628 1.00 0.00 C ATOM 473 CG2 ILE A 33 -3.725 5.316 6.568 1.00 0.00 C ATOM 474 CD1 ILE A 33 -6.285 4.495 5.345 1.00 0.00 C ATOM 0 H ILE A 33 -2.361 4.640 9.198 1.00 0.00 H new ATOM 0 HA ILE A 33 -5.131 3.908 9.403 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.461 5.651 7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.243 2.958 6.392 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.637 3.593 7.244 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.133 5.815 5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.124 6.022 7.141 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.100 4.480 6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -6.927 3.784 4.824 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -6.853 5.397 5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.438 4.752 4.709 1.00 0.00 H new ATOM 485 N ASP A 34 -4.499 1.663 8.481 1.00 0.00 N ATOM 486 CA ASP A 34 -4.072 0.336 8.054 1.00 0.00 C ATOM 487 C ASP A 34 -4.903 -0.118 6.866 1.00 0.00 C ATOM 488 O ASP A 34 -6.120 0.070 6.837 1.00 0.00 O ATOM 489 CB ASP A 34 -4.209 -0.709 9.167 1.00 0.00 C ATOM 490 CG ASP A 34 -3.463 -0.352 10.436 1.00 0.00 C ATOM 491 OD1 ASP A 34 -3.877 0.599 11.132 1.00 0.00 O ATOM 492 OD2 ASP A 34 -2.473 -1.041 10.757 1.00 0.00 O ATOM 0 H ASP A 34 -5.419 1.692 8.921 1.00 0.00 H new ATOM 0 HA ASP A 34 -3.019 0.416 7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -5.265 -0.839 9.402 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.844 -1.668 8.799 1.00 0.00 H new ATOM 496 N VAL A 35 -4.259 -0.785 5.929 1.00 0.00 N ATOM 497 CA VAL A 35 -4.949 -1.362 4.789 1.00 0.00 C ATOM 498 C VAL A 35 -4.808 -2.875 4.840 1.00 0.00 C ATOM 499 O VAL A 35 -3.697 -3.396 4.854 1.00 0.00 O ATOM 500 CB VAL A 35 -4.379 -0.835 3.451 1.00 0.00 C ATOM 501 CG1 VAL A 35 -5.189 -1.358 2.276 1.00 0.00 C ATOM 502 CG2 VAL A 35 -4.342 0.687 3.440 1.00 0.00 C ATOM 0 H VAL A 35 -3.251 -0.942 5.934 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.999 -1.074 4.841 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.357 -1.202 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.770 -0.974 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.155 -2.447 2.267 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.223 -1.028 2.371 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.938 1.034 2.489 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.352 1.076 3.569 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.710 1.041 4.254 1.00 0.00 H new ATOM 512 N VAL A 36 -5.922 -3.576 4.961 1.00 0.00 N ATOM 513 CA VAL A 36 -5.893 -5.024 5.076 1.00 0.00 C ATOM 514 C VAL A 36 -6.492 -5.673 3.830 1.00 0.00 C ATOM 515 O VAL A 36 -7.481 -5.180 3.277 1.00 0.00 O ATOM 516 CB VAL A 36 -6.630 -5.506 6.349 1.00 0.00 C ATOM 517 CG1 VAL A 36 -8.098 -5.114 6.317 1.00 0.00 C ATOM 518 CG2 VAL A 36 -6.471 -7.008 6.532 1.00 0.00 C ATOM 0 H VAL A 36 -6.856 -3.167 4.982 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.850 -5.330 5.161 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.173 -5.011 7.206 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.589 -5.466 7.224 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.184 -4.029 6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.576 -5.565 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -6.998 -7.323 7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -6.888 -7.526 5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.413 -7.253 6.626 1.00 0.00 H new ATOM 528 N PHE A 37 -5.811 -6.692 3.322 1.00 0.00 N ATOM 529 CA PHE A 37 -6.193 -7.316 2.063 1.00 0.00 C ATOM 530 C PHE A 37 -5.603 -8.719 1.935 1.00 0.00 C ATOM 531 O PHE A 37 -4.475 -8.980 2.350 1.00 0.00 O ATOM 532 CB PHE A 37 -5.746 -6.441 0.878 1.00 0.00 C ATOM 533 CG PHE A 37 -4.321 -5.953 0.977 1.00 0.00 C ATOM 534 CD1 PHE A 37 -3.265 -6.758 0.584 1.00 0.00 C ATOM 535 CD2 PHE A 37 -4.039 -4.687 1.473 1.00 0.00 C ATOM 536 CE1 PHE A 37 -1.962 -6.312 0.681 1.00 0.00 C ATOM 537 CE2 PHE A 37 -2.736 -4.239 1.572 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.697 -5.052 1.174 1.00 0.00 C ATOM 0 H PHE A 37 -4.989 -7.104 3.764 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.279 -7.407 2.050 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.861 -7.011 -0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -6.410 -5.580 0.805 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.463 -7.747 0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.849 -4.044 1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.149 -6.951 0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -2.532 -3.252 1.961 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.678 -4.703 1.248 1.00 0.00 H new ATOM 547 N GLU A 38 -6.356 -9.601 1.304 1.00 0.00 N ATOM 548 CA GLU A 38 -5.888 -10.943 1.016 1.00 0.00 C ATOM 549 C GLU A 38 -5.531 -11.045 -0.459 1.00 0.00 C ATOM 550 O GLU A 38 -6.103 -10.335 -1.288 1.00 0.00 O ATOM 551 CB GLU A 38 -6.947 -11.978 1.394 1.00 0.00 C ATOM 552 CG GLU A 38 -7.183 -12.073 2.893 1.00 0.00 C ATOM 553 CD GLU A 38 -8.263 -13.067 3.250 1.00 0.00 C ATOM 554 OE1 GLU A 38 -9.426 -12.859 2.850 1.00 0.00 O ATOM 555 OE2 GLU A 38 -7.960 -14.065 3.931 1.00 0.00 O ATOM 0 H GLU A 38 -7.303 -9.409 0.979 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.999 -11.149 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.885 -11.725 0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.642 -12.955 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.254 -12.359 3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.458 -11.090 3.277 1.00 0.00 H new ATOM 560 N LEU A 39 -4.490 -11.809 -0.754 1.00 0.00 N ATOM 561 CA LEU A 39 -3.952 -11.889 -2.106 1.00 0.00 C ATOM 562 C LEU A 39 -5.001 -12.396 -3.093 1.00 0.00 C ATOM 563 O LEU A 39 -5.573 -13.473 -2.911 1.00 0.00 O ATOM 564 CB LEU A 39 -2.723 -12.809 -2.144 1.00 0.00 C ATOM 565 CG LEU A 39 -1.529 -12.363 -1.290 1.00 0.00 C ATOM 566 CD1 LEU A 39 -1.731 -12.745 0.169 1.00 0.00 C ATOM 567 CD2 LEU A 39 -0.238 -12.965 -1.825 1.00 0.00 C ATOM 0 H LEU A 39 -3.998 -12.386 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.658 -10.882 -2.401 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.027 -13.804 -1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.392 -12.899 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.457 -11.277 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.871 -12.418 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.632 -12.264 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.835 -13.827 0.251 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.599 -12.638 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.306 -14.053 -1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.081 -12.636 -2.852 1.00 0.00 H new ATOM 578 N GLY A 40 -5.222 -11.622 -4.149 1.00 0.00 N ATOM 579 CA GLY A 40 -6.165 -12.002 -5.183 1.00 0.00 C ATOM 580 C GLY A 40 -7.606 -11.876 -4.743 1.00 0.00 C ATOM 581 O GLY A 40 -8.446 -12.697 -5.111 1.00 0.00 O ATOM 0 H GLY A 40 -4.758 -10.727 -4.308 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.003 -11.378 -6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.971 -13.032 -5.483 1.00 0.00 H new ATOM 585 N VAL A 41 -7.905 -10.833 -3.983 1.00 0.00 N ATOM 586 CA VAL A 41 -9.266 -10.590 -3.536 1.00 0.00 C ATOM 587 C VAL A 41 -9.632 -9.137 -3.804 1.00 0.00 C ATOM 588 O VAL A 41 -8.756 -8.273 -3.838 1.00 0.00 O ATOM 589 CB VAL A 41 -9.443 -10.911 -2.030 1.00 0.00 C ATOM 590 CG1 VAL A 41 -10.901 -10.785 -1.609 1.00 0.00 C ATOM 591 CG2 VAL A 41 -8.922 -12.302 -1.708 1.00 0.00 C ATOM 0 H VAL A 41 -7.224 -10.143 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.930 -11.252 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.860 -10.182 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.995 -11.016 -0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -11.245 -9.767 -1.791 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -11.508 -11.482 -2.187 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.057 -12.504 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.472 -13.041 -2.291 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.862 -12.360 -1.956 1.00 0.00 H new ATOM 601 N ASP A 42 -10.903 -8.891 -4.068 1.00 0.00 N ATOM 602 CA ASP A 42 -11.391 -7.553 -4.377 1.00 0.00 C ATOM 603 C ASP A 42 -12.082 -6.981 -3.154 1.00 0.00 C ATOM 604 O ASP A 42 -12.789 -7.697 -2.444 1.00 0.00 O ATOM 605 CB ASP A 42 -12.381 -7.584 -5.550 1.00 0.00 C ATOM 606 CG ASP A 42 -11.797 -8.165 -6.823 1.00 0.00 C ATOM 607 OD1 ASP A 42 -11.470 -9.372 -6.841 1.00 0.00 O ATOM 608 OD2 ASP A 42 -11.674 -7.421 -7.819 1.00 0.00 O ATOM 0 H ASP A 42 -11.627 -9.610 -4.075 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.542 -6.931 -4.659 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -13.255 -8.168 -5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.727 -6.570 -5.749 1.00 0.00 H new ATOM 612 N PHE A 43 -11.807 -5.723 -2.850 1.00 0.00 N ATOM 613 CA PHE A 43 -12.330 -5.102 -1.651 1.00 0.00 C ATOM 614 C PHE A 43 -12.944 -3.760 -1.995 1.00 0.00 C ATOM 615 O PHE A 43 -12.460 -3.064 -2.887 1.00 0.00 O ATOM 616 CB PHE A 43 -11.222 -4.900 -0.614 1.00 0.00 C ATOM 617 CG PHE A 43 -10.449 -6.144 -0.283 1.00 0.00 C ATOM 618 CD1 PHE A 43 -9.455 -6.611 -1.129 1.00 0.00 C ATOM 619 CD2 PHE A 43 -10.701 -6.834 0.888 1.00 0.00 C ATOM 620 CE1 PHE A 43 -8.739 -7.743 -0.819 1.00 0.00 C ATOM 621 CE2 PHE A 43 -9.986 -7.970 1.205 1.00 0.00 C ATOM 622 CZ PHE A 43 -9.004 -8.424 0.352 1.00 0.00 C ATOM 0 H PHE A 43 -11.222 -5.113 -3.421 1.00 0.00 H new ATOM 0 HA PHE A 43 -13.090 -5.760 -1.229 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.529 -4.144 -0.983 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -11.665 -4.507 0.301 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.240 -6.079 -2.044 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -11.466 -6.479 1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.971 -8.099 -1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.196 -8.503 2.121 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.442 -9.312 0.599 1.00 0.00 H new ATOM 631 N ALA A 44 -13.959 -3.370 -1.250 1.00 0.00 N ATOM 632 CA ALA A 44 -14.573 -2.072 -1.438 1.00 0.00 C ATOM 633 C ALA A 44 -14.902 -1.462 -0.084 1.00 0.00 C ATOM 634 O ALA A 44 -15.790 -1.943 0.623 1.00 0.00 O ATOM 635 CB ALA A 44 -15.827 -2.192 -2.292 1.00 0.00 C ATOM 0 H ALA A 44 -14.376 -3.934 -0.509 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.873 -1.420 -1.959 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -16.274 -1.207 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -15.565 -2.603 -3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.541 -2.852 -1.799 1.00 0.00 H new ATOM 641 N TYR A 45 -14.146 -0.450 0.305 1.00 0.00 N ATOM 642 CA TYR A 45 -14.301 0.154 1.619 1.00 0.00 C ATOM 643 C TYR A 45 -13.735 1.561 1.642 1.00 0.00 C ATOM 644 O TYR A 45 -13.065 1.987 0.697 1.00 0.00 O ATOM 645 CB TYR A 45 -13.649 -0.706 2.713 1.00 0.00 C ATOM 646 CG TYR A 45 -12.225 -1.150 2.435 1.00 0.00 C ATOM 647 CD1 TYR A 45 -11.201 -0.228 2.257 1.00 0.00 C ATOM 648 CD2 TYR A 45 -11.904 -2.499 2.383 1.00 0.00 C ATOM 649 CE1 TYR A 45 -9.902 -0.641 2.030 1.00 0.00 C ATOM 650 CE2 TYR A 45 -10.608 -2.919 2.164 1.00 0.00 C ATOM 651 CZ TYR A 45 -9.609 -1.988 1.985 1.00 0.00 C ATOM 652 OH TYR A 45 -8.313 -2.408 1.772 1.00 0.00 O ATOM 0 H TYR A 45 -13.417 -0.028 -0.271 1.00 0.00 H new ATOM 0 HA TYR A 45 -15.369 0.210 1.827 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -13.660 -0.144 3.647 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -14.264 -1.593 2.868 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.424 0.828 2.297 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -12.684 -3.234 2.517 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -9.119 0.089 1.888 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -10.378 -3.974 2.133 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.161 -3.252 2.246 1.00 0.00 H new ATOM 661 N SER A 46 -14.032 2.288 2.705 1.00 0.00 N ATOM 662 CA SER A 46 -13.580 3.654 2.834 1.00 0.00 C ATOM 663 C SER A 46 -12.356 3.721 3.733 1.00 0.00 C ATOM 664 O SER A 46 -12.373 3.282 4.883 1.00 0.00 O ATOM 665 CB SER A 46 -14.702 4.528 3.401 1.00 0.00 C ATOM 666 OG SER A 46 -14.217 5.804 3.792 1.00 0.00 O ATOM 0 H SER A 46 -14.586 1.950 3.492 1.00 0.00 H new ATOM 0 HA SER A 46 -13.308 4.028 1.847 1.00 0.00 H new ATOM 0 HB2 SER A 46 -15.485 4.648 2.652 1.00 0.00 H new ATOM 0 HB3 SER A 46 -15.155 4.031 4.259 1.00 0.00 H new ATOM 0 HG SER A 46 -14.956 6.340 4.148 1.00 0.00 H new ATOM 671 N LEU A 47 -11.293 4.272 3.181 1.00 0.00 N ATOM 672 CA LEU A 47 -10.038 4.429 3.887 1.00 0.00 C ATOM 673 C LEU A 47 -9.860 5.876 4.318 1.00 0.00 C ATOM 674 O LEU A 47 -10.200 6.796 3.568 1.00 0.00 O ATOM 675 CB LEU A 47 -8.871 4.010 2.991 1.00 0.00 C ATOM 676 CG LEU A 47 -8.752 2.511 2.726 1.00 0.00 C ATOM 677 CD1 LEU A 47 -7.712 2.247 1.649 1.00 0.00 C ATOM 678 CD2 LEU A 47 -8.383 1.770 4.004 1.00 0.00 C ATOM 0 H LEU A 47 -11.276 4.625 2.224 1.00 0.00 H new ATOM 0 HA LEU A 47 -10.053 3.791 4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -8.967 4.524 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.943 4.356 3.447 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.718 2.145 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.638 1.174 1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -8.007 2.749 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.745 2.628 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.303 0.703 3.796 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -7.428 2.140 4.376 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -9.154 1.936 4.756 1.00 0.00 H new ATOM 689 N ALA A 48 -9.381 6.065 5.544 1.00 0.00 N ATOM 690 CA ALA A 48 -9.167 7.395 6.112 1.00 0.00 C ATOM 691 C ALA A 48 -10.443 8.229 6.085 1.00 0.00 C ATOM 692 O ALA A 48 -10.388 9.461 6.047 1.00 0.00 O ATOM 693 CB ALA A 48 -8.041 8.114 5.382 1.00 0.00 C ATOM 0 H ALA A 48 -9.130 5.302 6.173 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.880 7.266 7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.897 9.102 5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.120 7.538 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.299 8.218 4.328 1.00 0.00 H new ATOM 699 N ASP A 49 -11.583 7.546 6.186 1.00 0.00 N ATOM 700 CA ASP A 49 -12.891 8.199 6.246 1.00 0.00 C ATOM 701 C ASP A 49 -13.110 9.142 5.065 1.00 0.00 C ATOM 702 O ASP A 49 -13.595 10.261 5.243 1.00 0.00 O ATOM 703 CB ASP A 49 -13.042 8.969 7.562 1.00 0.00 C ATOM 704 CG ASP A 49 -13.180 8.060 8.767 1.00 0.00 C ATOM 705 OD1 ASP A 49 -13.432 6.850 8.584 1.00 0.00 O ATOM 706 OD2 ASP A 49 -13.055 8.557 9.903 1.00 0.00 O ATOM 0 H ASP A 49 -11.626 6.528 6.228 1.00 0.00 H new ATOM 0 HA ASP A 49 -13.648 7.417 6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.176 9.616 7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.917 9.616 7.500 1.00 0.00 H new ATOM 710 N GLY A 50 -12.757 8.697 3.866 1.00 0.00 N ATOM 711 CA GLY A 50 -12.933 9.539 2.699 1.00 0.00 C ATOM 712 C GLY A 50 -12.731 8.801 1.392 1.00 0.00 C ATOM 713 O GLY A 50 -13.625 8.775 0.546 1.00 0.00 O ATOM 0 H GLY A 50 -12.356 7.778 3.681 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.936 9.966 2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.231 10.371 2.751 1.00 0.00 H new ATOM 717 N THR A 51 -11.561 8.202 1.210 1.00 0.00 N ATOM 718 CA THR A 51 -11.283 7.477 -0.019 1.00 0.00 C ATOM 719 C THR A 51 -12.040 6.153 -0.022 1.00 0.00 C ATOM 720 O THR A 51 -11.762 5.271 0.785 1.00 0.00 O ATOM 721 CB THR A 51 -9.770 7.212 -0.199 1.00 0.00 C ATOM 722 OG1 THR A 51 -9.298 6.310 0.804 1.00 0.00 O ATOM 723 CG2 THR A 51 -8.974 8.503 -0.125 1.00 0.00 C ATOM 0 H THR A 51 -10.800 8.204 1.889 1.00 0.00 H new ATOM 0 HA THR A 51 -11.616 8.096 -0.852 1.00 0.00 H new ATOM 0 HB THR A 51 -9.629 6.768 -1.185 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.049 5.783 1.150 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.914 8.285 -0.255 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.304 9.180 -0.913 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.131 8.972 0.846 1.00 0.00 H new ATOM 731 N GLU A 52 -12.961 5.992 -0.957 1.00 0.00 N ATOM 732 CA GLU A 52 -13.724 4.765 -1.052 1.00 0.00 C ATOM 733 C GLU A 52 -13.239 3.971 -2.237 1.00 0.00 C ATOM 734 O GLU A 52 -13.471 4.353 -3.384 1.00 0.00 O ATOM 735 CB GLU A 52 -15.217 5.066 -1.165 1.00 0.00 C ATOM 736 CG GLU A 52 -15.774 5.782 0.057 1.00 0.00 C ATOM 737 CD GLU A 52 -17.281 5.911 0.036 1.00 0.00 C ATOM 738 OE1 GLU A 52 -17.913 5.451 -0.937 1.00 0.00 O ATOM 739 OE2 GLU A 52 -17.843 6.468 1.002 1.00 0.00 O ATOM 0 H GLU A 52 -13.196 6.695 -1.658 1.00 0.00 H new ATOM 0 HA GLU A 52 -13.577 4.176 -0.147 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -15.392 5.679 -2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -15.760 4.132 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -15.474 5.241 0.955 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -15.331 6.776 0.121 1.00 0.00 H new ATOM 744 N LEU A 53 -12.379 3.014 -1.956 1.00 0.00 N ATOM 745 CA LEU A 53 -11.692 2.297 -3.008 1.00 0.00 C ATOM 746 C LEU A 53 -12.271 0.901 -3.215 1.00 0.00 C ATOM 747 O LEU A 53 -12.311 0.092 -2.289 1.00 0.00 O ATOM 748 CB LEU A 53 -10.193 2.184 -2.701 1.00 0.00 C ATOM 749 CG LEU A 53 -9.345 3.418 -3.034 1.00 0.00 C ATOM 750 CD1 LEU A 53 -9.719 4.596 -2.158 1.00 0.00 C ATOM 751 CD2 LEU A 53 -7.867 3.102 -2.883 1.00 0.00 C ATOM 0 H LEU A 53 -12.140 2.716 -1.010 1.00 0.00 H new ATOM 0 HA LEU A 53 -11.834 2.868 -3.925 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -10.075 1.962 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.792 1.333 -3.252 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.546 3.690 -4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.100 5.454 -2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.769 4.845 -2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.558 4.337 -1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.279 3.988 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.663 2.798 -1.856 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -7.597 2.293 -3.561 1.00 0.00 H new ATOM 762 N THR A 54 -12.585 0.593 -4.465 1.00 0.00 N ATOM 763 CA THR A 54 -12.969 -0.756 -4.854 1.00 0.00 C ATOM 764 C THR A 54 -11.874 -1.347 -5.730 1.00 0.00 C ATOM 765 O THR A 54 -11.615 -0.836 -6.820 1.00 0.00 O ATOM 766 CB THR A 54 -14.284 -0.766 -5.651 1.00 0.00 C ATOM 767 OG1 THR A 54 -15.265 0.052 -4.996 1.00 0.00 O ATOM 768 CG2 THR A 54 -14.815 -2.186 -5.802 1.00 0.00 C ATOM 0 H THR A 54 -12.581 1.265 -5.232 1.00 0.00 H new ATOM 0 HA THR A 54 -13.110 -1.341 -3.945 1.00 0.00 H new ATOM 0 HB THR A 54 -14.084 -0.363 -6.644 1.00 0.00 H new ATOM 0 HG1 THR A 54 -16.098 0.040 -5.512 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.746 -2.168 -6.369 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.081 -2.795 -6.329 1.00 0.00 H new ATOM 0 HG23 THR A 54 -14.999 -2.612 -4.816 1.00 0.00 H new ATOM 776 N GLY A 55 -11.165 -2.340 -5.231 1.00 0.00 N ATOM 777 CA GLY A 55 -10.069 -2.884 -5.997 1.00 0.00 C ATOM 778 C GLY A 55 -9.548 -4.190 -5.458 1.00 0.00 C ATOM 779 O GLY A 55 -9.810 -4.548 -4.310 1.00 0.00 O ATOM 0 H GLY A 55 -11.324 -2.775 -4.322 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.393 -3.029 -7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -9.256 -2.159 -6.018 1.00 0.00 H new ATOM 783 N THR A 56 -8.768 -4.872 -6.276 1.00 0.00 N ATOM 784 CA THR A 56 -8.145 -6.119 -5.882 1.00 0.00 C ATOM 785 C THR A 56 -6.636 -5.938 -5.730 1.00 0.00 C ATOM 786 O THR A 56 -6.014 -5.170 -6.470 1.00 0.00 O ATOM 787 CB THR A 56 -8.434 -7.242 -6.904 1.00 0.00 C ATOM 788 OG1 THR A 56 -7.908 -8.486 -6.428 1.00 0.00 O ATOM 789 CG2 THR A 56 -7.832 -6.923 -8.267 1.00 0.00 C ATOM 0 H THR A 56 -8.550 -4.578 -7.228 1.00 0.00 H new ATOM 0 HA THR A 56 -8.572 -6.410 -4.922 1.00 0.00 H new ATOM 0 HB THR A 56 -9.515 -7.319 -7.017 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.993 -8.525 -5.453 1.00 0.00 H new ATOM 0 HG21 THR A 56 -8.054 -7.733 -8.961 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.259 -5.994 -8.645 1.00 0.00 H new ATOM 0 HG23 THR A 56 -6.752 -6.813 -8.171 1.00 0.00 H new ATOM 797 N TRP A 57 -6.059 -6.637 -4.765 1.00 0.00 N ATOM 798 CA TRP A 57 -4.622 -6.592 -4.543 1.00 0.00 C ATOM 799 C TRP A 57 -4.011 -7.956 -4.843 1.00 0.00 C ATOM 800 O TRP A 57 -4.542 -8.985 -4.422 1.00 0.00 O ATOM 801 CB TRP A 57 -4.316 -6.194 -3.098 1.00 0.00 C ATOM 802 CG TRP A 57 -2.866 -5.882 -2.862 1.00 0.00 C ATOM 803 CD1 TRP A 57 -1.863 -6.779 -2.629 1.00 0.00 C ATOM 804 CD2 TRP A 57 -2.262 -4.583 -2.812 1.00 0.00 C ATOM 805 NE1 TRP A 57 -0.671 -6.120 -2.454 1.00 0.00 N ATOM 806 CE2 TRP A 57 -0.890 -4.771 -2.558 1.00 0.00 C ATOM 807 CE3 TRP A 57 -2.744 -3.281 -2.963 1.00 0.00 C ATOM 808 CZ2 TRP A 57 0.000 -3.705 -2.447 1.00 0.00 C ATOM 809 CZ3 TRP A 57 -1.861 -2.224 -2.854 1.00 0.00 C ATOM 810 CH2 TRP A 57 -0.502 -2.441 -2.600 1.00 0.00 C ATOM 0 H TRP A 57 -6.566 -7.244 -4.121 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.189 -5.847 -5.210 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -4.916 -5.323 -2.834 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.619 -7.003 -2.434 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -1.989 -7.851 -2.588 1.00 0.00 H new ATOM 0 HE1 TRP A 57 0.231 -6.562 -2.276 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -3.791 -3.103 -3.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 1.048 -3.870 -2.247 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -2.226 -1.214 -2.967 1.00 0.00 H new ATOM 0 HH2 TRP A 57 0.164 -1.594 -2.523 1.00 0.00 H new ATOM 820 N THR A 58 -2.885 -7.964 -5.541 1.00 0.00 N ATOM 821 CA THR A 58 -2.199 -9.202 -5.867 1.00 0.00 C ATOM 822 C THR A 58 -0.697 -9.041 -5.692 1.00 0.00 C ATOM 823 O THR A 58 -0.107 -8.074 -6.181 1.00 0.00 O ATOM 824 CB THR A 58 -2.485 -9.649 -7.316 1.00 0.00 C ATOM 825 OG1 THR A 58 -2.209 -8.574 -8.227 1.00 0.00 O ATOM 826 CG2 THR A 58 -3.926 -10.108 -7.483 1.00 0.00 C ATOM 0 H THR A 58 -2.427 -7.123 -5.893 1.00 0.00 H new ATOM 0 HA THR A 58 -2.575 -9.964 -5.184 1.00 0.00 H new ATOM 0 HB THR A 58 -1.832 -10.493 -7.539 1.00 0.00 H new ATOM 0 HG1 THR A 58 -1.453 -8.048 -7.893 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.093 -10.416 -8.515 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.119 -10.950 -6.818 1.00 0.00 H new ATOM 0 HG23 THR A 58 -4.600 -9.288 -7.236 1.00 0.00 H new ATOM 834 N MET A 59 -0.070 -10.025 -5.073 1.00 0.00 N ATOM 835 CA MET A 59 1.375 -10.030 -4.953 1.00 0.00 C ATOM 836 C MET A 59 1.960 -11.082 -5.875 1.00 0.00 C ATOM 837 O MET A 59 1.784 -12.279 -5.658 1.00 0.00 O ATOM 838 CB MET A 59 1.808 -10.299 -3.513 1.00 0.00 C ATOM 839 CG MET A 59 3.314 -10.204 -3.296 1.00 0.00 C ATOM 840 SD MET A 59 3.782 -10.529 -1.585 1.00 0.00 S ATOM 841 CE MET A 59 5.528 -10.125 -1.618 1.00 0.00 C ATOM 0 H MET A 59 -0.536 -10.826 -4.648 1.00 0.00 H new ATOM 0 HA MET A 59 1.747 -9.046 -5.239 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.310 -9.587 -2.855 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.470 -11.294 -3.222 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.818 -10.916 -3.950 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.658 -9.210 -3.582 1.00 0.00 H new ATOM 0 HE1 MET A 59 5.836 -9.760 -0.638 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.103 -11.016 -1.870 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.709 -9.353 -2.366 1.00 0.00 H new ATOM 849 N GLU A 60 2.683 -10.633 -6.877 1.00 0.00 N ATOM 850 CA GLU A 60 3.343 -11.538 -7.798 1.00 0.00 C ATOM 851 C GLU A 60 4.821 -11.588 -7.467 1.00 0.00 C ATOM 852 O GLU A 60 5.531 -10.605 -7.662 1.00 0.00 O ATOM 853 CB GLU A 60 3.142 -11.069 -9.239 1.00 0.00 C ATOM 854 CG GLU A 60 1.683 -10.867 -9.621 1.00 0.00 C ATOM 855 CD GLU A 60 0.867 -12.144 -9.563 1.00 0.00 C ATOM 856 OE1 GLU A 60 1.449 -13.234 -9.352 1.00 0.00 O ATOM 857 OE2 GLU A 60 -0.363 -12.069 -9.747 1.00 0.00 O ATOM 0 H GLU A 60 2.830 -9.644 -7.077 1.00 0.00 H new ATOM 0 HA GLU A 60 2.912 -12.534 -7.699 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.679 -10.132 -9.384 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.587 -11.800 -9.914 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.238 -10.129 -8.953 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.632 -10.456 -10.629 1.00 0.00 H new ATOM 862 N GLY A 61 5.251 -12.674 -6.842 1.00 0.00 N ATOM 863 CA GLY A 61 6.612 -12.748 -6.355 1.00 0.00 C ATOM 864 C GLY A 61 6.863 -11.713 -5.279 1.00 0.00 C ATOM 865 O GLY A 61 6.121 -11.642 -4.300 1.00 0.00 O ATOM 0 H GLY A 61 4.684 -13.503 -6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.806 -13.744 -5.958 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.306 -12.594 -7.181 1.00 0.00 H new ATOM 869 N ASN A 62 7.792 -10.811 -5.545 1.00 0.00 N ATOM 870 CA ASN A 62 8.038 -9.674 -4.666 1.00 0.00 C ATOM 871 C ASN A 62 7.521 -8.389 -5.305 1.00 0.00 C ATOM 872 O ASN A 62 8.106 -7.319 -5.141 1.00 0.00 O ATOM 873 CB ASN A 62 9.535 -9.545 -4.334 1.00 0.00 C ATOM 874 CG ASN A 62 10.423 -9.449 -5.565 1.00 0.00 C ATOM 875 OD1 ASN A 62 10.335 -8.505 -6.351 1.00 0.00 O ATOM 876 ND2 ASN A 62 11.298 -10.429 -5.735 1.00 0.00 N ATOM 0 H ASN A 62 8.394 -10.842 -6.368 1.00 0.00 H new ATOM 0 HA ASN A 62 7.500 -9.843 -3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 62 9.687 -8.660 -3.716 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.843 -10.405 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.927 -10.417 -6.538 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.343 -11.195 -5.063 1.00 0.00 H new ATOM 882 N LYS A 63 6.361 -8.485 -5.938 1.00 0.00 N ATOM 883 CA LYS A 63 5.705 -7.329 -6.525 1.00 0.00 C ATOM 884 C LYS A 63 4.340 -7.147 -5.911 1.00 0.00 C ATOM 885 O LYS A 63 3.573 -8.097 -5.766 1.00 0.00 O ATOM 886 CB LYS A 63 5.563 -7.449 -8.048 1.00 0.00 C ATOM 887 CG LYS A 63 6.797 -7.012 -8.821 1.00 0.00 C ATOM 888 CD LYS A 63 7.867 -8.089 -8.846 1.00 0.00 C ATOM 889 CE LYS A 63 7.419 -9.297 -9.652 1.00 0.00 C ATOM 890 NZ LYS A 63 7.112 -8.944 -11.063 1.00 0.00 N ATOM 0 H LYS A 63 5.852 -9.361 -6.058 1.00 0.00 H new ATOM 0 HA LYS A 63 6.333 -6.463 -6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.337 -8.485 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.713 -6.849 -8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.514 -6.760 -9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.205 -6.107 -8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.784 -7.683 -9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.100 -8.396 -7.826 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.200 -10.057 -9.630 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.535 -9.735 -9.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.093 -9.808 -11.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.185 -8.476 -11.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.844 -8.301 -11.427 1.00 0.00 H new ATOM 900 N LEU A 64 4.077 -5.934 -5.507 1.00 0.00 N ATOM 901 CA LEU A 64 2.846 -5.583 -4.851 1.00 0.00 C ATOM 902 C LEU A 64 2.009 -4.705 -5.760 1.00 0.00 C ATOM 903 O LEU A 64 2.427 -3.614 -6.134 1.00 0.00 O ATOM 904 CB LEU A 64 3.201 -4.868 -3.557 1.00 0.00 C ATOM 905 CG LEU A 64 3.877 -5.768 -2.521 1.00 0.00 C ATOM 906 CD1 LEU A 64 4.512 -4.931 -1.422 1.00 0.00 C ATOM 907 CD2 LEU A 64 2.875 -6.748 -1.930 1.00 0.00 C ATOM 0 H LEU A 64 4.720 -5.151 -5.626 1.00 0.00 H new ATOM 0 HA LEU A 64 2.254 -6.470 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.862 -4.031 -3.784 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.293 -4.449 -3.123 1.00 0.00 H new ATOM 0 HG LEU A 64 4.662 -6.336 -3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.988 -5.588 -0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.260 -4.268 -1.856 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.744 -4.337 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.374 -7.380 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.069 -6.197 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.463 -7.371 -2.724 1.00 0.00 H new ATOM 918 N VAL A 65 0.894 -5.245 -6.218 1.00 0.00 N ATOM 919 CA VAL A 65 0.064 -4.553 -7.187 1.00 0.00 C ATOM 920 C VAL A 65 -1.398 -4.592 -6.771 1.00 0.00 C ATOM 921 O VAL A 65 -1.976 -5.664 -6.603 1.00 0.00 O ATOM 922 CB VAL A 65 0.216 -5.177 -8.599 1.00 0.00 C ATOM 923 CG1 VAL A 65 -0.756 -4.547 -9.587 1.00 0.00 C ATOM 924 CG2 VAL A 65 1.644 -5.033 -9.103 1.00 0.00 C ATOM 0 H VAL A 65 0.543 -6.160 -5.935 1.00 0.00 H new ATOM 0 HA VAL A 65 0.398 -3.516 -7.222 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.020 -6.238 -8.517 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.626 -5.005 -10.568 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.778 -4.708 -9.244 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.561 -3.477 -9.657 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.726 -5.478 -10.095 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.906 -3.976 -9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.324 -5.542 -8.420 1.00 0.00 H new ATOM 934 N GLY A 66 -1.993 -3.420 -6.642 1.00 0.00 N ATOM 935 CA GLY A 66 -3.397 -3.328 -6.313 1.00 0.00 C ATOM 936 C GLY A 66 -4.051 -2.192 -7.061 1.00 0.00 C ATOM 937 O GLY A 66 -3.636 -1.042 -6.933 1.00 0.00 O ATOM 0 H GLY A 66 -1.524 -2.522 -6.761 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.895 -4.266 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.514 -3.178 -5.240 1.00 0.00 H new ATOM 941 N LYS A 67 -5.071 -2.510 -7.836 1.00 0.00 N ATOM 942 CA LYS A 67 -5.761 -1.514 -8.626 1.00 0.00 C ATOM 943 C LYS A 67 -7.101 -1.214 -8.001 1.00 0.00 C ATOM 944 O LYS A 67 -8.008 -2.045 -8.025 1.00 0.00 O ATOM 945 CB LYS A 67 -5.939 -2.007 -10.062 1.00 0.00 C ATOM 946 CG LYS A 67 -6.715 -1.048 -10.947 1.00 0.00 C ATOM 947 CD LYS A 67 -6.738 -1.527 -12.387 1.00 0.00 C ATOM 948 CE LYS A 67 -7.545 -0.593 -13.275 1.00 0.00 C ATOM 949 NZ LYS A 67 -7.447 -0.976 -14.706 1.00 0.00 N ATOM 0 H LYS A 67 -5.440 -3.456 -7.934 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.167 -0.600 -8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.957 -2.178 -10.502 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.453 -2.968 -10.045 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -7.736 -0.952 -10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.263 -0.057 -10.898 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.718 -1.597 -12.764 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.164 -2.530 -12.431 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.590 -0.608 -12.965 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.189 0.429 -13.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.010 -0.317 -15.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.453 -0.937 -15.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.810 -1.942 -14.832 1.00 0.00 H new ATOM 959 N PHE A 68 -7.189 -0.071 -7.354 1.00 0.00 N ATOM 960 CA PHE A 68 -8.387 0.288 -6.632 1.00 0.00 C ATOM 961 C PHE A 68 -9.048 1.505 -7.264 1.00 0.00 C ATOM 962 O PHE A 68 -8.376 2.368 -7.822 1.00 0.00 O ATOM 963 CB PHE A 68 -8.071 0.569 -5.160 1.00 0.00 C ATOM 964 CG PHE A 68 -7.676 -0.646 -4.359 1.00 0.00 C ATOM 965 CD1 PHE A 68 -6.546 -1.378 -4.687 1.00 0.00 C ATOM 966 CD2 PHE A 68 -8.435 -1.047 -3.271 1.00 0.00 C ATOM 967 CE1 PHE A 68 -6.183 -2.489 -3.949 1.00 0.00 C ATOM 968 CE2 PHE A 68 -8.077 -2.157 -2.529 1.00 0.00 C ATOM 969 CZ PHE A 68 -6.950 -2.879 -2.869 1.00 0.00 C ATOM 0 H PHE A 68 -6.444 0.624 -7.314 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.077 -0.554 -6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.264 1.300 -5.109 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.945 1.026 -4.695 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.941 -1.077 -5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -9.317 -0.486 -3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.301 -3.051 -4.217 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.678 -2.459 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 68 -6.669 -3.747 -2.291 1.00 0.00 H new ATOM 978 N LYS A 69 -10.362 1.571 -7.180 1.00 0.00 N ATOM 979 CA LYS A 69 -11.100 2.694 -7.727 1.00 0.00 C ATOM 980 C LYS A 69 -11.550 3.628 -6.613 1.00 0.00 C ATOM 981 O LYS A 69 -12.411 3.276 -5.808 1.00 0.00 O ATOM 982 CB LYS A 69 -12.308 2.194 -8.528 1.00 0.00 C ATOM 983 CG LYS A 69 -13.342 3.271 -8.843 1.00 0.00 C ATOM 984 CD LYS A 69 -13.802 3.217 -10.295 1.00 0.00 C ATOM 985 CE LYS A 69 -14.229 1.820 -10.711 1.00 0.00 C ATOM 986 NZ LYS A 69 -15.437 1.354 -9.975 1.00 0.00 N ATOM 0 H LYS A 69 -10.942 0.859 -6.737 1.00 0.00 H new ATOM 0 HA LYS A 69 -10.444 3.249 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -11.955 1.761 -9.464 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -12.793 1.393 -7.970 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.203 3.150 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -12.917 4.253 -8.634 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -14.634 3.906 -10.436 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -12.994 3.556 -10.943 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -14.432 1.809 -11.782 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.408 1.124 -10.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.689 0.397 -10.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.237 1.338 -8.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.229 2.001 -10.163 1.00 0.00 H new ATOM 996 N ARG A 70 -11.015 4.843 -6.619 1.00 0.00 N ATOM 997 CA ARG A 70 -11.440 5.875 -5.678 1.00 0.00 C ATOM 998 C ARG A 70 -12.655 6.582 -6.261 1.00 0.00 C ATOM 999 O ARG A 70 -12.546 7.688 -6.788 1.00 0.00 O ATOM 1000 CB ARG A 70 -10.293 6.871 -5.412 1.00 0.00 C ATOM 1001 CG ARG A 70 -10.418 7.668 -4.109 1.00 0.00 C ATOM 1002 CD ARG A 70 -11.350 8.867 -4.253 1.00 0.00 C ATOM 1003 NE ARG A 70 -11.364 9.738 -3.070 1.00 0.00 N ATOM 1004 CZ ARG A 70 -10.317 10.444 -2.629 1.00 0.00 C ATOM 1005 NH1 ARG A 70 -9.157 10.404 -3.264 1.00 0.00 N ATOM 1006 NH2 ARG A 70 -10.446 11.213 -1.557 1.00 0.00 N ATOM 0 H ARG A 70 -10.284 5.139 -7.266 1.00 0.00 H new ATOM 0 HA ARG A 70 -11.704 5.424 -4.722 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.351 6.322 -5.396 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.239 7.572 -6.245 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.789 7.014 -3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.431 8.012 -3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.047 9.451 -5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.362 8.511 -4.445 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.236 9.810 -2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.053 9.830 -4.101 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.367 10.947 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.341 11.265 -1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -9.650 11.753 -1.218 1.00 0.00 H new ATOM 1017 N VAL A 71 -13.778 5.870 -6.278 1.00 0.00 N ATOM 1018 CA VAL A 71 -15.008 6.343 -6.918 1.00 0.00 C ATOM 1019 C VAL A 71 -15.424 7.717 -6.388 1.00 0.00 C ATOM 1020 O VAL A 71 -16.086 8.494 -7.077 1.00 0.00 O ATOM 1021 CB VAL A 71 -16.158 5.326 -6.718 1.00 0.00 C ATOM 1022 CG1 VAL A 71 -16.466 5.133 -5.241 1.00 0.00 C ATOM 1023 CG2 VAL A 71 -17.404 5.757 -7.475 1.00 0.00 C ATOM 0 H VAL A 71 -13.864 4.948 -5.849 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.803 6.439 -7.984 1.00 0.00 H new ATOM 0 HB VAL A 71 -15.829 4.369 -7.123 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -17.277 4.414 -5.129 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -15.578 4.761 -4.730 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -16.763 6.086 -4.804 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -18.197 5.025 -7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -17.732 6.731 -7.112 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -17.178 5.824 -8.539 1.00 0.00 H new ATOM 1033 N ASP A 72 -14.987 8.012 -5.177 1.00 0.00 N ATOM 1034 CA ASP A 72 -15.270 9.279 -4.516 1.00 0.00 C ATOM 1035 C ASP A 72 -14.792 10.492 -5.326 1.00 0.00 C ATOM 1036 O ASP A 72 -15.379 11.568 -5.227 1.00 0.00 O ATOM 1037 CB ASP A 72 -14.610 9.277 -3.135 1.00 0.00 C ATOM 1038 CG ASP A 72 -14.649 10.628 -2.453 1.00 0.00 C ATOM 1039 OD1 ASP A 72 -15.755 11.124 -2.156 1.00 0.00 O ATOM 1040 OD2 ASP A 72 -13.566 11.191 -2.204 1.00 0.00 O ATOM 0 H ASP A 72 -14.420 7.375 -4.617 1.00 0.00 H new ATOM 0 HA ASP A 72 -16.352 9.372 -4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -15.109 8.543 -2.502 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.573 8.958 -3.236 1.00 0.00 H new ATOM 1044 N ASN A 73 -13.708 10.339 -6.096 1.00 0.00 N ATOM 1045 CA ASN A 73 -13.150 11.478 -6.833 1.00 0.00 C ATOM 1046 C ASN A 73 -12.054 11.073 -7.822 1.00 0.00 C ATOM 1047 O ASN A 73 -11.858 11.731 -8.845 1.00 0.00 O ATOM 1048 CB ASN A 73 -12.558 12.487 -5.840 1.00 0.00 C ATOM 1049 CG ASN A 73 -12.097 13.770 -6.511 1.00 0.00 C ATOM 1050 OD1 ASN A 73 -12.882 14.460 -7.166 1.00 0.00 O ATOM 1051 ND2 ASN A 73 -10.827 14.108 -6.348 1.00 0.00 N ATOM 0 H ASN A 73 -13.209 9.458 -6.224 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.969 11.914 -7.405 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -13.305 12.726 -5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -11.715 12.029 -5.323 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.469 14.964 -6.771 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.207 13.512 -5.799 1.00 0.00 H new ATOM 1057 N GLY A 74 -11.220 10.130 -7.412 1.00 0.00 N ATOM 1058 CA GLY A 74 -10.013 9.829 -8.159 1.00 0.00 C ATOM 1059 C GLY A 74 -10.227 8.883 -9.313 1.00 0.00 C ATOM 1060 O GLY A 74 -9.390 8.811 -10.215 1.00 0.00 O ATOM 0 H GLY A 74 -11.356 9.565 -6.573 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.591 10.760 -8.539 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.276 9.398 -7.481 1.00 0.00 H new ATOM 1064 N LYS A 75 -11.292 8.097 -9.226 1.00 0.00 N ATOM 1065 CA LYS A 75 -11.633 7.090 -10.227 1.00 0.00 C ATOM 1066 C LYS A 75 -10.709 5.867 -10.153 1.00 0.00 C ATOM 1067 O LYS A 75 -11.174 4.737 -10.222 1.00 0.00 O ATOM 1068 CB LYS A 75 -11.619 7.684 -11.645 1.00 0.00 C ATOM 1069 CG LYS A 75 -11.947 6.678 -12.742 1.00 0.00 C ATOM 1070 CD LYS A 75 -13.399 6.231 -12.691 1.00 0.00 C ATOM 1071 CE LYS A 75 -14.351 7.379 -12.984 1.00 0.00 C ATOM 1072 NZ LYS A 75 -15.762 6.919 -13.041 1.00 0.00 N ATOM 0 H LYS A 75 -11.952 8.140 -8.450 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.646 6.756 -10.001 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.336 8.504 -11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.635 8.110 -11.840 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.739 7.123 -13.715 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.297 5.809 -12.643 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.559 5.432 -13.414 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.618 5.818 -11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.248 8.143 -12.214 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.081 7.843 -13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.383 7.728 -13.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -15.865 6.208 -13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.027 6.498 -12.128 1.00 0.00 H new ATOM 1082 N GLU A 76 -9.410 6.086 -10.003 1.00 0.00 N ATOM 1083 CA GLU A 76 -8.447 4.989 -9.959 1.00 0.00 C ATOM 1084 C GLU A 76 -7.240 5.361 -9.115 1.00 0.00 C ATOM 1085 O GLU A 76 -6.360 6.089 -9.571 1.00 0.00 O ATOM 1086 CB GLU A 76 -7.967 4.626 -11.368 1.00 0.00 C ATOM 1087 CG GLU A 76 -9.016 3.926 -12.226 1.00 0.00 C ATOM 1088 CD GLU A 76 -8.518 3.609 -13.622 1.00 0.00 C ATOM 1089 OE1 GLU A 76 -8.204 4.550 -14.378 1.00 0.00 O ATOM 1090 OE2 GLU A 76 -8.445 2.416 -13.977 1.00 0.00 O ATOM 0 H GLU A 76 -8.996 7.014 -9.909 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.953 4.132 -9.514 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.647 5.536 -11.876 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.092 3.981 -11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.322 3.002 -11.736 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.902 4.558 -12.296 1.00 0.00 H new ATOM 1095 N LEU A 77 -7.136 4.739 -7.956 1.00 0.00 N ATOM 1096 CA LEU A 77 -5.974 4.891 -7.102 1.00 0.00 C ATOM 1097 C LEU A 77 -5.266 3.550 -6.964 1.00 0.00 C ATOM 1098 O LEU A 77 -5.779 2.623 -6.340 1.00 0.00 O ATOM 1099 CB LEU A 77 -6.396 5.429 -5.731 1.00 0.00 C ATOM 1100 CG LEU A 77 -5.266 5.578 -4.704 1.00 0.00 C ATOM 1101 CD1 LEU A 77 -4.180 6.505 -5.225 1.00 0.00 C ATOM 1102 CD2 LEU A 77 -5.814 6.098 -3.386 1.00 0.00 C ATOM 0 H LEU A 77 -7.852 4.116 -7.581 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.284 5.606 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.867 6.402 -5.871 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.154 4.765 -5.317 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.826 4.595 -4.538 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.390 6.595 -4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.765 6.097 -6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.606 7.489 -5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.000 6.198 -2.668 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.280 7.070 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -6.555 5.399 -2.999 1.00 0.00 H new ATOM 1113 N ILE A 78 -4.148 3.422 -7.651 1.00 0.00 N ATOM 1114 CA ILE A 78 -3.420 2.167 -7.706 1.00 0.00 C ATOM 1115 C ILE A 78 -2.128 2.265 -6.903 1.00 0.00 C ATOM 1116 O ILE A 78 -1.264 3.077 -7.215 1.00 0.00 O ATOM 1117 CB ILE A 78 -3.079 1.812 -9.172 1.00 0.00 C ATOM 1118 CG1 ILE A 78 -4.353 1.771 -10.021 1.00 0.00 C ATOM 1119 CG2 ILE A 78 -2.339 0.485 -9.254 1.00 0.00 C ATOM 1120 CD1 ILE A 78 -4.091 1.591 -11.502 1.00 0.00 C ATOM 0 H ILE A 78 -3.720 4.179 -8.184 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.051 1.388 -7.279 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.423 2.588 -9.566 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.986 0.956 -9.671 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.910 2.695 -9.869 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.111 0.259 -10.296 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.411 0.550 -8.686 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.964 -0.306 -8.839 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.039 1.571 -12.039 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.484 2.419 -11.867 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.561 0.653 -11.666 1.00 0.00 H new ATOM 1131 N ALA A 79 -1.945 1.372 -5.952 1.00 0.00 N ATOM 1132 CA ALA A 79 -0.691 1.306 -5.216 1.00 0.00 C ATOM 1133 C ALA A 79 0.114 0.119 -5.719 1.00 0.00 C ATOM 1134 O ALA A 79 -0.425 -0.983 -5.865 1.00 0.00 O ATOM 1135 CB ALA A 79 -0.948 1.193 -3.723 1.00 0.00 C ATOM 0 H ALA A 79 -2.642 0.684 -5.669 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.124 2.222 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.003 1.145 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.509 2.064 -3.384 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.522 0.289 -3.520 1.00 0.00 H new ATOM 1141 N VAL A 80 1.338 0.386 -6.140 1.00 0.00 N ATOM 1142 CA VAL A 80 2.152 -0.617 -6.799 1.00 0.00 C ATOM 1143 C VAL A 80 3.622 -0.461 -6.442 1.00 0.00 C ATOM 1144 O VAL A 80 4.197 0.612 -6.625 1.00 0.00 O ATOM 1145 CB VAL A 80 2.015 -0.515 -8.333 1.00 0.00 C ATOM 1146 CG1 VAL A 80 0.750 -1.197 -8.823 1.00 0.00 C ATOM 1147 CG2 VAL A 80 2.049 0.939 -8.781 1.00 0.00 C ATOM 0 H VAL A 80 1.791 1.294 -6.036 1.00 0.00 H new ATOM 0 HA VAL A 80 1.795 -1.588 -6.455 1.00 0.00 H new ATOM 0 HB VAL A 80 2.865 -1.033 -8.777 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.685 -1.107 -9.907 1.00 0.00 H new ATOM 0 HG12 VAL A 80 0.775 -2.251 -8.548 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.119 -0.723 -8.366 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.951 0.988 -9.865 1.00 0.00 H new ATOM 0 HG22 VAL A 80 1.225 1.482 -8.317 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.995 1.390 -8.482 1.00 0.00 H new ATOM 1157 N ARG A 81 4.257 -1.556 -6.049 1.00 0.00 N ATOM 1158 CA ARG A 81 5.696 -1.543 -5.849 1.00 0.00 C ATOM 1159 C ARG A 81 6.277 -2.946 -5.719 1.00 0.00 C ATOM 1160 O ARG A 81 5.651 -3.842 -5.166 1.00 0.00 O ATOM 1161 CB ARG A 81 6.091 -0.714 -4.630 1.00 0.00 C ATOM 1162 CG ARG A 81 7.579 -0.409 -4.596 1.00 0.00 C ATOM 1163 CD ARG A 81 7.986 0.446 -5.779 1.00 0.00 C ATOM 1164 NE ARG A 81 9.437 0.514 -5.939 1.00 0.00 N ATOM 1165 CZ ARG A 81 10.045 1.156 -6.934 1.00 0.00 C ATOM 1166 NH1 ARG A 81 9.331 1.695 -7.915 1.00 0.00 N ATOM 1167 NH2 ARG A 81 11.369 1.229 -6.965 1.00 0.00 N ATOM 0 H ARG A 81 3.805 -2.452 -5.865 1.00 0.00 H new ATOM 0 HA ARG A 81 6.115 -1.081 -6.742 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.531 0.221 -4.633 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.812 -1.250 -3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 81 7.827 0.106 -3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.145 -1.341 -4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.541 0.041 -6.688 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.589 1.453 -5.651 1.00 0.00 H new ATOM 0 HE ARG A 81 10.019 0.041 -5.247 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.314 1.618 -7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.800 2.186 -8.676 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.921 0.793 -6.226 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.835 1.721 -7.727 1.00 0.00 H new ATOM 1178 N GLU A 82 7.536 -3.080 -6.107 1.00 0.00 N ATOM 1179 CA GLU A 82 8.284 -4.307 -5.910 1.00 0.00 C ATOM 1180 C GLU A 82 9.247 -4.124 -4.744 1.00 0.00 C ATOM 1181 O GLU A 82 9.522 -2.996 -4.331 1.00 0.00 O ATOM 1182 CB GLU A 82 9.057 -4.665 -7.181 1.00 0.00 C ATOM 1183 CG GLU A 82 9.992 -3.561 -7.650 1.00 0.00 C ATOM 1184 CD GLU A 82 10.693 -3.890 -8.951 1.00 0.00 C ATOM 1185 OE1 GLU A 82 10.511 -5.015 -9.465 1.00 0.00 O ATOM 1186 OE2 GLU A 82 11.421 -3.021 -9.470 1.00 0.00 O ATOM 0 H GLU A 82 8.066 -2.340 -6.567 1.00 0.00 H new ATOM 0 HA GLU A 82 7.593 -5.120 -5.687 1.00 0.00 H new ATOM 0 HB2 GLU A 82 9.637 -5.570 -7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.348 -4.893 -7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.423 -2.639 -7.773 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.739 -3.374 -6.879 1.00 0.00 H new ATOM 1191 N ILE A 83 9.759 -5.216 -4.211 1.00 0.00 N ATOM 1192 CA ILE A 83 10.681 -5.142 -3.087 1.00 0.00 C ATOM 1193 C ILE A 83 12.105 -5.344 -3.590 1.00 0.00 C ATOM 1194 O ILE A 83 12.400 -6.328 -4.274 1.00 0.00 O ATOM 1195 CB ILE A 83 10.378 -6.226 -2.029 1.00 0.00 C ATOM 1196 CG1 ILE A 83 8.874 -6.341 -1.774 1.00 0.00 C ATOM 1197 CG2 ILE A 83 11.113 -5.925 -0.731 1.00 0.00 C ATOM 1198 CD1 ILE A 83 8.219 -5.044 -1.357 1.00 0.00 C ATOM 0 H ILE A 83 9.556 -6.162 -4.534 1.00 0.00 H new ATOM 0 HA ILE A 83 10.565 -4.162 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 83 10.730 -7.182 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.389 -6.706 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 83 8.704 -7.088 -0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.888 -6.699 0.003 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.187 -5.903 -0.917 1.00 0.00 H new ATOM 0 HG23 ILE A 83 10.792 -4.957 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 83 7.154 -5.210 -1.196 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.675 -4.687 -0.434 1.00 0.00 H new ATOM 0 HD13 ILE A 83 8.356 -4.299 -2.141 1.00 0.00 H new ATOM 1209 N SER A 84 12.977 -4.402 -3.283 1.00 0.00 N ATOM 1210 CA SER A 84 14.367 -4.480 -3.713 1.00 0.00 C ATOM 1211 C SER A 84 15.245 -4.900 -2.540 1.00 0.00 C ATOM 1212 O SER A 84 15.348 -4.172 -1.556 1.00 0.00 O ATOM 1213 CB SER A 84 14.815 -3.118 -4.248 1.00 0.00 C ATOM 1214 OG SER A 84 13.881 -2.610 -5.191 1.00 0.00 O ATOM 0 H SER A 84 12.750 -3.571 -2.737 1.00 0.00 H new ATOM 0 HA SER A 84 14.462 -5.221 -4.507 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.922 -2.416 -3.421 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.795 -3.211 -4.715 1.00 0.00 H new ATOM 0 HG SER A 84 14.187 -1.738 -5.518 1.00 0.00 H new ATOM 1219 N GLY A 85 15.753 -6.132 -2.580 1.00 0.00 N ATOM 1220 CA GLY A 85 16.452 -6.669 -1.425 1.00 0.00 C ATOM 1221 C GLY A 85 15.543 -6.658 -0.220 1.00 0.00 C ATOM 1222 O GLY A 85 14.383 -7.068 -0.328 1.00 0.00 O ATOM 0 H GLY A 85 15.694 -6.760 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 85 16.784 -7.687 -1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.345 -6.077 -1.223 1.00 0.00 H new ATOM 1226 N ASN A 86 15.941 -5.946 0.822 1.00 0.00 N ATOM 1227 CA ASN A 86 14.992 -5.626 1.868 1.00 0.00 C ATOM 1228 C ASN A 86 14.928 -4.118 2.042 1.00 0.00 C ATOM 1229 O ASN A 86 15.679 -3.529 2.818 1.00 0.00 O ATOM 1230 CB ASN A 86 15.389 -6.298 3.182 1.00 0.00 C ATOM 1231 CG ASN A 86 15.527 -7.801 3.039 1.00 0.00 C ATOM 1232 OD1 ASN A 86 14.558 -8.502 2.748 1.00 0.00 O ATOM 1233 ND2 ASN A 86 16.736 -8.301 3.233 1.00 0.00 N ATOM 0 H ASN A 86 16.886 -5.589 0.962 1.00 0.00 H new ATOM 0 HA ASN A 86 14.008 -6.000 1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 86 16.333 -5.880 3.531 1.00 0.00 H new ATOM 0 HB3 ASN A 86 14.641 -6.074 3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 86 16.893 -9.305 3.143 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.511 -7.683 3.473 1.00 0.00 H new ATOM 1239 N GLU A 87 13.945 -3.533 1.384 1.00 0.00 N ATOM 1240 CA GLU A 87 13.630 -2.117 1.492 1.00 0.00 C ATOM 1241 C GLU A 87 12.308 -1.893 0.786 1.00 0.00 C ATOM 1242 O GLU A 87 11.976 -2.633 -0.144 1.00 0.00 O ATOM 1243 CB GLU A 87 14.731 -1.232 0.888 1.00 0.00 C ATOM 1244 CG GLU A 87 14.880 -1.357 -0.619 1.00 0.00 C ATOM 1245 CD GLU A 87 15.994 -0.491 -1.169 1.00 0.00 C ATOM 1246 OE1 GLU A 87 15.903 0.748 -1.056 1.00 0.00 O ATOM 1247 OE2 GLU A 87 16.973 -1.046 -1.713 1.00 0.00 O ATOM 0 H GLU A 87 13.329 -4.037 0.746 1.00 0.00 H new ATOM 0 HA GLU A 87 13.562 -1.836 2.543 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.520 -0.191 1.135 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.682 -1.485 1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 87 15.074 -2.398 -0.876 1.00 0.00 H new ATOM 0 HG3 GLU A 87 13.940 -1.081 -1.097 1.00 0.00 H new ATOM 1252 N LEU A 88 11.523 -0.939 1.232 1.00 0.00 N ATOM 1253 CA LEU A 88 10.239 -0.723 0.608 1.00 0.00 C ATOM 1254 C LEU A 88 10.102 0.694 0.084 1.00 0.00 C ATOM 1255 O LEU A 88 10.043 1.654 0.848 1.00 0.00 O ATOM 1256 CB LEU A 88 9.096 -1.026 1.571 1.00 0.00 C ATOM 1257 CG LEU A 88 7.703 -0.910 0.951 1.00 0.00 C ATOM 1258 CD1 LEU A 88 7.431 -2.076 0.021 1.00 0.00 C ATOM 1259 CD2 LEU A 88 6.642 -0.826 2.030 1.00 0.00 C ATOM 0 H LEU A 88 11.744 -0.313 2.007 1.00 0.00 H new ATOM 0 HA LEU A 88 10.181 -1.411 -0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.224 -2.035 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.161 -0.345 2.419 1.00 0.00 H new ATOM 0 HG LEU A 88 7.666 0.008 0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.435 -1.974 -0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.172 -2.085 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.490 -3.009 0.581 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.658 -0.744 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.679 -1.724 2.647 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.824 0.050 2.652 1.00 0.00 H new ATOM 1270 N ILE A 89 9.822 0.775 -1.194 1.00 0.00 N ATOM 1271 CA ILE A 89 9.406 2.009 -1.812 1.00 0.00 C ATOM 1272 C ILE A 89 7.908 1.879 -2.043 1.00 0.00 C ATOM 1273 O ILE A 89 7.392 0.766 -2.025 1.00 0.00 O ATOM 1274 CB ILE A 89 10.153 2.257 -3.155 1.00 0.00 C ATOM 1275 CG1 ILE A 89 11.658 2.455 -2.928 1.00 0.00 C ATOM 1276 CG2 ILE A 89 9.588 3.462 -3.897 1.00 0.00 C ATOM 1277 CD1 ILE A 89 12.430 1.175 -2.680 1.00 0.00 C ATOM 0 H ILE A 89 9.877 -0.016 -1.836 1.00 0.00 H new ATOM 0 HA ILE A 89 9.641 2.861 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 89 10.001 1.368 -3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 89 12.081 2.957 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 89 11.800 3.121 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.134 3.604 -4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 89 8.534 3.293 -4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.691 4.352 -3.277 1.00 0.00 H new ATOM 0 HD11 ILE A 89 13.484 1.409 -2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.038 0.680 -1.791 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.324 0.514 -3.540 1.00 0.00 H new ATOM 1288 N GLN A 90 7.185 2.971 -2.138 1.00 0.00 N ATOM 1289 CA GLN A 90 5.750 2.873 -2.331 1.00 0.00 C ATOM 1290 C GLN A 90 5.288 3.846 -3.403 1.00 0.00 C ATOM 1291 O GLN A 90 5.403 5.063 -3.238 1.00 0.00 O ATOM 1292 CB GLN A 90 5.016 3.134 -1.017 1.00 0.00 C ATOM 1293 CG GLN A 90 3.522 2.859 -1.079 1.00 0.00 C ATOM 1294 CD GLN A 90 3.198 1.444 -1.530 1.00 0.00 C ATOM 1295 OE1 GLN A 90 3.431 1.073 -2.680 1.00 0.00 O ATOM 1296 NE2 GLN A 90 2.658 0.644 -0.625 1.00 0.00 N ATOM 0 H GLN A 90 7.553 3.921 -2.087 1.00 0.00 H new ATOM 0 HA GLN A 90 5.515 1.862 -2.662 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.457 2.514 -0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.172 4.173 -0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.085 3.030 -0.095 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.055 3.568 -1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 90 2.480 0.988 0.319 1.00 0.00 H new ATOM 0 HE22 GLN A 90 2.420 -0.317 -0.871 1.00 0.00 H new ATOM 1303 N THR A 91 4.776 3.303 -4.500 1.00 0.00 N ATOM 1304 CA THR A 91 4.296 4.118 -5.600 1.00 0.00 C ATOM 1305 C THR A 91 2.782 4.126 -5.646 1.00 0.00 C ATOM 1306 O THR A 91 2.148 3.085 -5.820 1.00 0.00 O ATOM 1307 CB THR A 91 4.798 3.611 -6.962 1.00 0.00 C ATOM 1308 OG1 THR A 91 6.117 3.068 -6.832 1.00 0.00 O ATOM 1309 CG2 THR A 91 4.813 4.736 -7.987 1.00 0.00 C ATOM 0 H THR A 91 4.684 2.298 -4.648 1.00 0.00 H new ATOM 0 HA THR A 91 4.683 5.121 -5.421 1.00 0.00 H new ATOM 0 HB THR A 91 4.116 2.833 -7.304 1.00 0.00 H new ATOM 0 HG1 THR A 91 6.426 2.747 -7.705 1.00 0.00 H new ATOM 0 HG21 THR A 91 5.172 4.353 -8.942 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.804 5.130 -8.110 1.00 0.00 H new ATOM 0 HG23 THR A 91 5.474 5.532 -7.644 1.00 0.00 H new ATOM 1317 N TYR A 92 2.225 5.313 -5.685 1.00 0.00 N ATOM 1318 CA TYR A 92 0.821 5.470 -5.941 1.00 0.00 C ATOM 1319 C TYR A 92 0.625 5.944 -7.367 1.00 0.00 C ATOM 1320 O TYR A 92 0.986 7.072 -7.714 1.00 0.00 O ATOM 1321 CB TYR A 92 0.186 6.474 -4.972 1.00 0.00 C ATOM 1322 CG TYR A 92 0.001 5.956 -3.563 1.00 0.00 C ATOM 1323 CD1 TYR A 92 1.081 5.519 -2.805 1.00 0.00 C ATOM 1324 CD2 TYR A 92 -1.262 5.917 -2.986 1.00 0.00 C ATOM 1325 CE1 TYR A 92 0.906 5.056 -1.516 1.00 0.00 C ATOM 1326 CE2 TYR A 92 -1.444 5.456 -1.697 1.00 0.00 C ATOM 1327 CZ TYR A 92 -0.357 5.027 -0.968 1.00 0.00 C ATOM 1328 OH TYR A 92 -0.535 4.565 0.315 1.00 0.00 O ATOM 0 H TYR A 92 2.730 6.187 -5.541 1.00 0.00 H new ATOM 0 HA TYR A 92 0.333 4.506 -5.794 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.807 7.369 -4.938 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.785 6.775 -5.365 1.00 0.00 H new ATOM 0 HD1 TYR A 92 2.073 5.542 -3.231 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.116 6.253 -3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 92 1.755 4.718 -0.941 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.433 5.432 -1.263 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.485 4.611 0.551 1.00 0.00 H new ATOM 1337 N THR A 93 0.010 5.109 -8.174 1.00 0.00 N ATOM 1338 CA THR A 93 -0.336 5.491 -9.524 1.00 0.00 C ATOM 1339 C THR A 93 -1.806 5.892 -9.547 1.00 0.00 C ATOM 1340 O THR A 93 -2.696 5.065 -9.350 1.00 0.00 O ATOM 1341 CB THR A 93 -0.084 4.334 -10.511 1.00 0.00 C ATOM 1342 OG1 THR A 93 1.251 3.838 -10.335 1.00 0.00 O ATOM 1343 CG2 THR A 93 -0.277 4.789 -11.950 1.00 0.00 C ATOM 0 H THR A 93 -0.261 4.160 -7.918 1.00 0.00 H new ATOM 0 HA THR A 93 0.289 6.328 -9.834 1.00 0.00 H new ATOM 0 HB THR A 93 -0.804 3.542 -10.305 1.00 0.00 H new ATOM 0 HG1 THR A 93 1.411 3.101 -10.961 1.00 0.00 H new ATOM 0 HG21 THR A 93 -0.093 3.952 -12.624 1.00 0.00 H new ATOM 0 HG22 THR A 93 -1.298 5.146 -12.085 1.00 0.00 H new ATOM 0 HG23 THR A 93 0.421 5.595 -12.173 1.00 0.00 H new ATOM 1351 N TYR A 94 -2.030 7.193 -9.593 1.00 0.00 N ATOM 1352 CA TYR A 94 -3.360 7.755 -9.432 1.00 0.00 C ATOM 1353 C TYR A 94 -3.823 8.354 -10.744 1.00 0.00 C ATOM 1354 O TYR A 94 -3.124 9.185 -11.324 1.00 0.00 O ATOM 1355 CB TYR A 94 -3.316 8.827 -8.338 1.00 0.00 C ATOM 1356 CG TYR A 94 -4.649 9.142 -7.685 1.00 0.00 C ATOM 1357 CD1 TYR A 94 -5.750 8.308 -7.833 1.00 0.00 C ATOM 1358 CD2 TYR A 94 -4.782 10.265 -6.878 1.00 0.00 C ATOM 1359 CE1 TYR A 94 -6.944 8.586 -7.196 1.00 0.00 C ATOM 1360 CE2 TYR A 94 -5.975 10.550 -6.243 1.00 0.00 C ATOM 1361 CZ TYR A 94 -7.051 9.707 -6.404 1.00 0.00 C ATOM 1362 OH TYR A 94 -8.240 9.980 -5.762 1.00 0.00 O ATOM 0 H TYR A 94 -1.298 7.888 -9.742 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.064 6.975 -9.142 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.618 8.505 -7.565 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.915 9.745 -8.768 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.671 7.429 -8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.938 10.926 -6.745 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.790 7.926 -7.319 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.063 11.430 -5.623 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.418 10.943 -5.798 1.00 0.00 H new ATOM 1371 N GLU A 95 -4.961 7.867 -11.234 1.00 0.00 N ATOM 1372 CA GLU A 95 -5.524 8.284 -12.520 1.00 0.00 C ATOM 1373 C GLU A 95 -4.646 7.811 -13.685 1.00 0.00 C ATOM 1374 O GLU A 95 -5.060 6.963 -14.479 1.00 0.00 O ATOM 1375 CB GLU A 95 -5.705 9.806 -12.563 1.00 0.00 C ATOM 1376 CG GLU A 95 -6.435 10.308 -13.797 1.00 0.00 C ATOM 1377 CD GLU A 95 -6.577 11.813 -13.799 1.00 0.00 C ATOM 1378 OE1 GLU A 95 -5.541 12.509 -13.790 1.00 0.00 O ATOM 1379 OE2 GLU A 95 -7.722 12.310 -13.799 1.00 0.00 O ATOM 0 H GLU A 95 -5.523 7.168 -10.749 1.00 0.00 H new ATOM 0 HA GLU A 95 -6.504 7.818 -12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -6.254 10.121 -11.676 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.724 10.279 -12.516 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.895 9.994 -14.690 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -7.423 9.851 -13.844 1.00 0.00 H new ATOM 1384 N GLY A 96 -3.416 8.296 -13.734 1.00 0.00 N ATOM 1385 CA GLY A 96 -2.476 7.859 -14.743 1.00 0.00 C ATOM 1386 C GLY A 96 -1.087 8.419 -14.508 1.00 0.00 C ATOM 1387 O GLY A 96 -0.284 8.512 -15.437 1.00 0.00 O ATOM 0 H GLY A 96 -3.049 8.992 -13.085 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.431 6.770 -14.749 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.830 8.169 -15.726 1.00 0.00 H new ATOM 1391 N VAL A 97 -0.780 8.730 -13.253 1.00 0.00 N ATOM 1392 CA VAL A 97 0.535 9.243 -12.880 1.00 0.00 C ATOM 1393 C VAL A 97 1.067 8.513 -11.658 1.00 0.00 C ATOM 1394 O VAL A 97 0.310 8.181 -10.746 1.00 0.00 O ATOM 1395 CB VAL A 97 0.512 10.757 -12.584 1.00 0.00 C ATOM 1396 CG1 VAL A 97 0.296 11.551 -13.860 1.00 0.00 C ATOM 1397 CG2 VAL A 97 -0.559 11.099 -11.556 1.00 0.00 C ATOM 0 H VAL A 97 -1.429 8.635 -12.471 1.00 0.00 H new ATOM 0 HA VAL A 97 1.188 9.070 -13.735 1.00 0.00 H new ATOM 0 HB VAL A 97 1.481 11.030 -12.167 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.283 12.616 -13.628 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.105 11.342 -14.560 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.655 11.266 -14.309 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.552 12.172 -11.367 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.537 10.804 -11.937 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.355 10.566 -10.627 1.00 0.00 H new ATOM 1407 N GLU A 98 2.354 8.212 -11.670 1.00 0.00 N ATOM 1408 CA GLU A 98 2.975 7.474 -10.587 1.00 0.00 C ATOM 1409 C GLU A 98 3.843 8.384 -9.720 1.00 0.00 C ATOM 1410 O GLU A 98 4.657 9.159 -10.225 1.00 0.00 O ATOM 1411 CB GLU A 98 3.801 6.293 -11.134 1.00 0.00 C ATOM 1412 CG GLU A 98 5.038 6.673 -11.952 1.00 0.00 C ATOM 1413 CD GLU A 98 4.718 7.239 -13.325 1.00 0.00 C ATOM 1414 OE1 GLU A 98 4.264 8.398 -13.413 1.00 0.00 O ATOM 1415 OE2 GLU A 98 4.903 6.519 -14.327 1.00 0.00 O ATOM 0 H GLU A 98 2.992 8.470 -12.423 1.00 0.00 H new ATOM 0 HA GLU A 98 2.179 7.075 -9.958 1.00 0.00 H new ATOM 0 HB2 GLU A 98 4.119 5.675 -10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.152 5.676 -11.756 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.619 7.407 -11.394 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.668 5.791 -12.071 1.00 0.00 H new ATOM 1420 N ALA A 99 3.692 8.245 -8.413 1.00 0.00 N ATOM 1421 CA ALA A 99 4.501 8.980 -7.453 1.00 0.00 C ATOM 1422 C ALA A 99 4.940 8.035 -6.351 1.00 0.00 C ATOM 1423 O ALA A 99 4.137 7.234 -5.870 1.00 0.00 O ATOM 1424 CB ALA A 99 3.718 10.147 -6.874 1.00 0.00 C ATOM 0 H ALA A 99 3.007 7.621 -7.988 1.00 0.00 H new ATOM 0 HA ALA A 99 5.379 9.385 -7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.341 10.684 -6.158 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.424 10.822 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.827 9.773 -6.370 1.00 0.00 H new ATOM 1430 N LYS A 100 6.227 8.022 -6.053 1.00 0.00 N ATOM 1431 CA LYS A 100 6.771 7.036 -5.133 1.00 0.00 C ATOM 1432 C LYS A 100 7.681 7.665 -4.090 1.00 0.00 C ATOM 1433 O LYS A 100 8.484 8.548 -4.389 1.00 0.00 O ATOM 1434 CB LYS A 100 7.529 5.953 -5.906 1.00 0.00 C ATOM 1435 CG LYS A 100 8.610 6.496 -6.824 1.00 0.00 C ATOM 1436 CD LYS A 100 9.196 5.400 -7.692 1.00 0.00 C ATOM 1437 CE LYS A 100 10.185 5.957 -8.703 1.00 0.00 C ATOM 1438 NZ LYS A 100 10.646 4.907 -9.646 1.00 0.00 N ATOM 0 H LYS A 100 6.911 8.677 -6.431 1.00 0.00 H new ATOM 0 HA LYS A 100 5.930 6.586 -4.605 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.983 5.263 -5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.818 5.378 -6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 100 8.193 7.280 -7.456 1.00 0.00 H new ATOM 0 HG3 LYS A 100 9.400 6.953 -6.228 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.695 4.663 -7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 100 8.393 4.881 -8.215 1.00 0.00 H new ATOM 0 HE2 LYS A 100 9.719 6.769 -9.260 1.00 0.00 H new ATOM 0 HE3 LYS A 100 11.043 6.380 -8.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 11.320 5.319 -10.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.112 4.144 -9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 9.830 4.521 -10.162 1.00 0.00 H new ATOM 1448 N ARG A 101 7.592 7.145 -2.880 1.00 0.00 N ATOM 1449 CA ARG A 101 8.445 7.575 -1.786 1.00 0.00 C ATOM 1450 C ARG A 101 9.249 6.377 -1.289 1.00 0.00 C ATOM 1451 O ARG A 101 8.770 5.242 -1.359 1.00 0.00 O ATOM 1452 CB ARG A 101 7.594 8.161 -0.656 1.00 0.00 C ATOM 1453 CG ARG A 101 8.390 8.898 0.409 1.00 0.00 C ATOM 1454 CD ARG A 101 9.128 10.093 -0.165 1.00 0.00 C ATOM 1455 NE ARG A 101 8.229 11.043 -0.819 1.00 0.00 N ATOM 1456 CZ ARG A 101 8.630 12.190 -1.360 1.00 0.00 C ATOM 1457 NH1 ARG A 101 9.904 12.561 -1.274 1.00 0.00 N ATOM 1458 NH2 ARG A 101 7.758 12.971 -1.985 1.00 0.00 N ATOM 0 H ARG A 101 6.928 6.414 -2.627 1.00 0.00 H new ATOM 0 HA ARG A 101 9.129 8.350 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 101 6.863 8.846 -1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 101 7.035 7.354 -0.182 1.00 0.00 H new ATOM 0 HG2 ARG A 101 7.718 9.231 1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 101 9.105 8.214 0.866 1.00 0.00 H new ATOM 0 HD2 ARG A 101 9.669 10.600 0.634 1.00 0.00 H new ATOM 0 HD3 ARG A 101 9.871 9.747 -0.883 1.00 0.00 H new ATOM 0 HE ARG A 101 7.236 10.813 -0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 101 10.577 11.965 -0.792 1.00 0.00 H new ATOM 0 HH12 ARG A 101 10.208 13.441 -1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.779 12.692 -2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 101 8.067 13.850 -2.399 1.00 0.00 H new ATOM 1469 N ILE A 102 10.499 6.602 -0.907 1.00 0.00 N ATOM 1470 CA ILE A 102 11.383 5.499 -0.555 1.00 0.00 C ATOM 1471 C ILE A 102 11.526 5.345 0.958 1.00 0.00 C ATOM 1472 O ILE A 102 11.698 6.323 1.694 1.00 0.00 O ATOM 1473 CB ILE A 102 12.782 5.666 -1.199 1.00 0.00 C ATOM 1474 CG1 ILE A 102 13.696 4.499 -0.803 1.00 0.00 C ATOM 1475 CG2 ILE A 102 13.406 7.001 -0.810 1.00 0.00 C ATOM 1476 CD1 ILE A 102 15.039 4.513 -1.496 1.00 0.00 C ATOM 0 H ILE A 102 10.920 7.528 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 102 10.921 4.594 -0.950 1.00 0.00 H new ATOM 0 HB ILE A 102 12.663 5.657 -2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 102 13.854 4.523 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.190 3.561 -1.030 1.00 0.00 H new ATOM 0 HG21 ILE A 102 14.387 7.093 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 102 12.765 7.815 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 102 13.512 7.051 0.274 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.628 3.658 -1.165 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.892 4.457 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 102 15.566 5.434 -1.249 1.00 0.00 H new ATOM 1487 N PHE A 103 11.421 4.101 1.407 1.00 0.00 N ATOM 1488 CA PHE A 103 11.536 3.754 2.814 1.00 0.00 C ATOM 1489 C PHE A 103 12.429 2.525 2.945 1.00 0.00 C ATOM 1490 O PHE A 103 12.753 1.878 1.947 1.00 0.00 O ATOM 1491 CB PHE A 103 10.162 3.463 3.430 1.00 0.00 C ATOM 1492 CG PHE A 103 9.094 4.448 3.042 1.00 0.00 C ATOM 1493 CD1 PHE A 103 9.085 5.730 3.568 1.00 0.00 C ATOM 1494 CD2 PHE A 103 8.103 4.091 2.140 1.00 0.00 C ATOM 1495 CE1 PHE A 103 8.107 6.635 3.205 1.00 0.00 C ATOM 1496 CE2 PHE A 103 7.123 4.993 1.774 1.00 0.00 C ATOM 1497 CZ PHE A 103 7.123 6.265 2.309 1.00 0.00 C ATOM 0 H PHE A 103 11.252 3.300 0.799 1.00 0.00 H new ATOM 0 HA PHE A 103 11.970 4.598 3.350 1.00 0.00 H new ATOM 0 HB2 PHE A 103 9.846 2.464 3.130 1.00 0.00 H new ATOM 0 HB3 PHE A 103 10.257 3.455 4.516 1.00 0.00 H new ATOM 0 HD1 PHE A 103 9.851 6.025 4.270 1.00 0.00 H new ATOM 0 HD2 PHE A 103 8.097 3.096 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 103 8.112 7.631 3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 103 6.357 4.703 1.070 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.355 6.970 2.028 1.00 0.00 H new ATOM 1506 N LYS A 104 12.866 2.223 4.154 1.00 0.00 N ATOM 1507 CA LYS A 104 13.748 1.086 4.363 1.00 0.00 C ATOM 1508 C LYS A 104 13.268 0.241 5.535 1.00 0.00 C ATOM 1509 O LYS A 104 12.576 0.737 6.424 1.00 0.00 O ATOM 1510 CB LYS A 104 15.192 1.551 4.593 1.00 0.00 C ATOM 1511 CG LYS A 104 15.542 1.867 6.045 1.00 0.00 C ATOM 1512 CD LYS A 104 14.826 3.104 6.573 1.00 0.00 C ATOM 1513 CE LYS A 104 15.234 3.386 8.012 1.00 0.00 C ATOM 1514 NZ LYS A 104 14.663 4.660 8.516 1.00 0.00 N ATOM 0 H LYS A 104 12.629 2.742 4.999 1.00 0.00 H new ATOM 0 HA LYS A 104 13.726 0.471 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 104 15.869 0.777 4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 104 15.372 2.440 3.989 1.00 0.00 H new ATOM 0 HG2 LYS A 104 15.286 1.011 6.669 1.00 0.00 H new ATOM 0 HG3 LYS A 104 16.619 2.013 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 104 15.064 3.964 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.747 2.958 6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 104 14.905 2.565 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 104 16.321 3.425 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 15.060 4.871 9.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.899 5.430 7.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 13.629 4.572 8.590 1.00 0.00 H new ATOM 1524 N LYS A 105 13.674 -1.019 5.550 1.00 0.00 N ATOM 1525 CA LYS A 105 13.339 -1.916 6.642 1.00 0.00 C ATOM 1526 C LYS A 105 14.054 -1.466 7.909 1.00 0.00 C ATOM 1527 O LYS A 105 15.284 -1.415 7.949 1.00 0.00 O ATOM 1528 CB LYS A 105 13.739 -3.347 6.285 1.00 0.00 C ATOM 1529 CG LYS A 105 13.330 -4.379 7.321 1.00 0.00 C ATOM 1530 CD LYS A 105 13.794 -5.771 6.924 1.00 0.00 C ATOM 1531 CE LYS A 105 13.409 -6.808 7.964 1.00 0.00 C ATOM 1532 NZ LYS A 105 13.996 -6.508 9.296 1.00 0.00 N ATOM 0 H LYS A 105 14.238 -1.444 4.814 1.00 0.00 H new ATOM 0 HA LYS A 105 12.263 -1.890 6.814 1.00 0.00 H new ATOM 0 HB2 LYS A 105 13.290 -3.611 5.327 1.00 0.00 H new ATOM 0 HB3 LYS A 105 14.820 -3.389 6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 105 13.754 -4.114 8.289 1.00 0.00 H new ATOM 0 HG3 LYS A 105 12.246 -4.373 7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 105 13.357 -6.040 5.962 1.00 0.00 H new ATOM 0 HD3 LYS A 105 14.876 -5.771 6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 105 12.323 -6.851 8.048 1.00 0.00 H new ATOM 0 HE3 LYS A 105 13.742 -7.792 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 13.928 -7.350 9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 14.995 -6.242 9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 13.476 -5.722 9.735 1.00 0.00 H new ATOM 1542 N GLU A 106 13.285 -1.094 8.918 1.00 0.00 N ATOM 1543 CA GLU A 106 13.849 -0.596 10.160 1.00 0.00 C ATOM 1544 C GLU A 106 14.625 -1.693 10.874 1.00 0.00 C ATOM 1545 O GLU A 106 15.683 -1.391 11.463 1.00 0.00 O ATOM 1546 CB GLU A 106 12.744 -0.051 11.066 1.00 0.00 C ATOM 1547 CG GLU A 106 12.012 1.149 10.485 1.00 0.00 C ATOM 1548 CD GLU A 106 11.003 1.738 11.448 1.00 0.00 C ATOM 1549 OE1 GLU A 106 10.126 0.991 11.929 1.00 0.00 O ATOM 1550 OE2 GLU A 106 11.076 2.957 11.720 1.00 0.00 O ATOM 1551 OXT GLU A 106 14.177 -2.858 10.839 1.00 0.00 O ATOM 0 H GLU A 106 12.266 -1.128 8.901 1.00 0.00 H new ATOM 0 HA GLU A 106 14.538 0.215 9.923 1.00 0.00 H new ATOM 0 HB2 GLU A 106 12.023 -0.845 11.262 1.00 0.00 H new ATOM 0 HB3 GLU A 106 13.179 0.230 12.025 1.00 0.00 H new ATOM 0 HG2 GLU A 106 12.738 1.915 10.211 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.503 0.851 9.569 1.00 0.00 H new TER 1556 GLU A 106