USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 849 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 2 GLN : amide:sc= -0.204 K(o=-1,f=-0.28) USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.793 K(o=-1,f=0.048) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 155:sc= 0.754 (180deg=0.368) USER MOD Single : A 6 THR OG1 : rot -130:sc= -0.438 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.193) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HE2:sc= -2.33 K(o=-2.3,f=-5.1!) USER MOD Single : A 13 THR OG1 : rot 19:sc= 0.375 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.072) USER MOD Single : A 24 MET CE :methyl 153:sc= -3.2! (180deg=-4.18!) USER MOD Single : A 26 THR OG1 : rot 98:sc= 1.14 USER MOD Single : A 27 SER OG : rot -38:sc= 0.0281 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -6.04! C(o=-6!,f=-7.4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 83:sc= 0.175 USER MOD Single : A 60 SER OG : rot 101:sc= -2.55 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 62 SER OG : rot 180:sc= -0.206 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.621 X(o=-0.62,f=-0.91) USER MOD Single : A 72 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.049) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0634) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot -4:sc= 1.07 USER MOD Single : A 85 SER OG : rot 97:sc= 0.0486 USER MOD Single : A 86 ASN : amide:sc= -4.12 K(o=-4.1,f=-5.9!) USER MOD Single : A 94 HIS : no HD1:sc= -0.0152 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.965 15.627 1.209 1.00 0.00 N ATOM 2 CA MET A 1 -5.765 14.494 1.753 1.00 0.00 C ATOM 3 C MET A 1 -5.296 13.184 1.115 1.00 0.00 C ATOM 4 O MET A 1 -4.605 13.192 0.110 1.00 0.00 O ATOM 5 CB MET A 1 -7.245 14.714 1.434 1.00 0.00 C ATOM 6 CG MET A 1 -7.872 15.603 2.509 1.00 0.00 C ATOM 7 SD MET A 1 -7.568 17.341 2.108 1.00 0.00 S ATOM 8 CE MET A 1 -9.290 17.894 2.187 1.00 0.00 C ATOM 0 H1 MET A 1 -5.513 16.507 1.286 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.082 15.720 1.751 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.740 15.445 0.210 1.00 0.00 H new ATOM 0 HA MET A 1 -5.630 14.441 2.833 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.351 15.180 0.454 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.765 13.757 1.390 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.944 15.415 2.571 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.449 15.365 3.485 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.340 18.961 1.968 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.882 17.345 1.455 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.686 17.710 3.186 1.00 0.00 H new ATOM 20 N GLN A 2 -5.674 12.066 1.701 1.00 0.00 N ATOM 21 CA GLN A 2 -5.269 10.732 1.156 1.00 0.00 C ATOM 22 C GLN A 2 -6.472 10.071 0.480 1.00 0.00 C ATOM 23 O GLN A 2 -7.508 9.877 1.099 1.00 0.00 O ATOM 24 CB GLN A 2 -4.769 9.850 2.301 1.00 0.00 C ATOM 25 CG GLN A 2 -3.563 10.516 2.966 1.00 0.00 C ATOM 26 CD GLN A 2 -3.539 10.165 4.454 1.00 0.00 C ATOM 27 OE1 GLN A 2 -4.210 10.792 5.249 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.788 9.182 4.867 1.00 0.00 N ATOM 0 H GLN A 2 -6.251 12.025 2.541 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.472 10.860 0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.564 9.699 3.032 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -4.492 8.866 1.923 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -2.642 10.183 2.489 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -3.615 11.597 2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.225 8.655 4.199 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.764 8.940 5.858 1.00 0.00 H new ATOM 37 N ASP A 3 -6.339 9.732 -0.786 1.00 0.00 N ATOM 38 CA ASP A 3 -7.464 9.085 -1.536 1.00 0.00 C ATOM 39 C ASP A 3 -6.908 7.992 -2.455 1.00 0.00 C ATOM 40 O ASP A 3 -5.755 7.609 -2.344 1.00 0.00 O ATOM 41 CB ASP A 3 -8.186 10.152 -2.370 1.00 0.00 C ATOM 42 CG ASP A 3 -9.521 10.509 -1.709 1.00 0.00 C ATOM 43 OD1 ASP A 3 -10.428 9.696 -1.774 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.612 11.589 -1.149 1.00 0.00 O ATOM 0 H ASP A 3 -5.491 9.878 -1.333 1.00 0.00 H new ATOM 0 HA ASP A 3 -8.166 8.634 -0.835 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.563 11.042 -2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.357 9.783 -3.381 1.00 0.00 H new ATOM 49 N TRP A 4 -7.732 7.490 -3.360 1.00 0.00 N ATOM 50 CA TRP A 4 -7.298 6.411 -4.319 1.00 0.00 C ATOM 51 C TRP A 4 -5.927 6.756 -4.927 1.00 0.00 C ATOM 52 O TRP A 4 -5.155 5.874 -5.265 1.00 0.00 O ATOM 53 CB TRP A 4 -8.340 6.290 -5.441 1.00 0.00 C ATOM 54 CG TRP A 4 -7.946 5.198 -6.389 1.00 0.00 C ATOM 55 CD1 TRP A 4 -7.725 5.362 -7.713 1.00 0.00 C ATOM 56 CD2 TRP A 4 -7.718 3.789 -6.109 1.00 0.00 C ATOM 57 NE1 TRP A 4 -7.377 4.144 -8.263 1.00 0.00 N ATOM 58 CE2 TRP A 4 -7.360 3.141 -7.313 1.00 0.00 C ATOM 59 CE3 TRP A 4 -7.788 3.017 -4.939 1.00 0.00 C ATOM 60 CZ2 TRP A 4 -7.079 1.774 -7.353 1.00 0.00 C ATOM 61 CZ3 TRP A 4 -7.510 1.642 -4.974 1.00 0.00 C ATOM 62 CH2 TRP A 4 -7.155 1.022 -6.179 1.00 0.00 C ATOM 0 H TRP A 4 -8.701 7.789 -3.474 1.00 0.00 H new ATOM 0 HA TRP A 4 -7.215 5.466 -3.782 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -9.321 6.078 -5.016 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -8.422 7.236 -5.976 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -7.807 6.294 -8.253 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -7.159 4.002 -9.249 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -8.058 3.485 -4.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -6.805 1.302 -8.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -7.570 1.059 -4.067 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.940 -0.036 -6.200 1.00 0.00 H new ATOM 73 N ALA A 5 -5.635 8.032 -5.061 1.00 0.00 N ATOM 74 CA ALA A 5 -4.324 8.467 -5.639 1.00 0.00 C ATOM 75 C ALA A 5 -3.198 8.088 -4.673 1.00 0.00 C ATOM 76 O ALA A 5 -2.169 7.563 -5.080 1.00 0.00 O ATOM 77 CB ALA A 5 -4.334 9.985 -5.842 1.00 0.00 C ATOM 0 H ALA A 5 -6.256 8.795 -4.791 1.00 0.00 H new ATOM 0 HA ALA A 5 -4.165 7.975 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.380 10.302 -6.263 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.139 10.255 -6.525 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.490 10.479 -4.883 1.00 0.00 H new ATOM 83 N THR A 6 -3.401 8.342 -3.397 1.00 0.00 N ATOM 84 CA THR A 6 -2.370 8.003 -2.371 1.00 0.00 C ATOM 85 C THR A 6 -2.289 6.485 -2.252 1.00 0.00 C ATOM 86 O THR A 6 -1.214 5.910 -2.266 1.00 0.00 O ATOM 87 CB THR A 6 -2.772 8.604 -1.022 1.00 0.00 C ATOM 88 OG1 THR A 6 -2.963 10.006 -1.165 1.00 0.00 O ATOM 89 CG2 THR A 6 -1.673 8.341 0.007 1.00 0.00 C ATOM 0 H THR A 6 -4.247 8.774 -3.025 1.00 0.00 H new ATOM 0 HA THR A 6 -1.401 8.408 -2.664 1.00 0.00 H new ATOM 0 HB THR A 6 -3.700 8.143 -0.684 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.464 10.477 -0.466 1.00 0.00 H new ATOM 0 HG21 THR A 6 -1.962 8.770 0.966 1.00 0.00 H new ATOM 0 HG22 THR A 6 -1.529 7.266 0.119 1.00 0.00 H new ATOM 0 HG23 THR A 6 -0.743 8.799 -0.329 1.00 0.00 H new ATOM 97 N PHE A 7 -3.432 5.846 -2.150 1.00 0.00 N ATOM 98 CA PHE A 7 -3.484 4.356 -2.044 1.00 0.00 C ATOM 99 C PHE A 7 -2.847 3.744 -3.301 1.00 0.00 C ATOM 100 O PHE A 7 -2.303 2.655 -3.253 1.00 0.00 O ATOM 101 CB PHE A 7 -4.955 3.921 -1.925 1.00 0.00 C ATOM 102 CG PHE A 7 -5.070 2.411 -1.961 1.00 0.00 C ATOM 103 CD1 PHE A 7 -5.119 1.755 -3.195 1.00 0.00 C ATOM 104 CD2 PHE A 7 -5.131 1.674 -0.773 1.00 0.00 C ATOM 105 CE1 PHE A 7 -5.229 0.363 -3.246 1.00 0.00 C ATOM 106 CE2 PHE A 7 -5.240 0.277 -0.822 1.00 0.00 C ATOM 107 CZ PHE A 7 -5.290 -0.377 -2.060 1.00 0.00 C ATOM 0 H PHE A 7 -4.343 6.304 -2.136 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.936 4.014 -1.166 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.378 4.301 -0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.535 4.355 -2.740 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.072 2.326 -4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.094 2.180 0.180 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.267 -0.141 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.285 -0.294 0.093 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.376 -1.453 -2.099 1.00 0.00 H new ATOM 117 N LYS A 8 -2.920 4.443 -4.417 1.00 0.00 N ATOM 118 CA LYS A 8 -2.327 3.921 -5.687 1.00 0.00 C ATOM 119 C LYS A 8 -0.812 3.812 -5.527 1.00 0.00 C ATOM 120 O LYS A 8 -0.224 2.787 -5.829 1.00 0.00 O ATOM 121 CB LYS A 8 -2.653 4.873 -6.840 1.00 0.00 C ATOM 122 CG LYS A 8 -2.171 4.265 -8.161 1.00 0.00 C ATOM 123 CD LYS A 8 -3.195 4.545 -9.263 1.00 0.00 C ATOM 124 CE LYS A 8 -3.224 6.044 -9.568 1.00 0.00 C ATOM 125 NZ LYS A 8 -3.850 6.263 -10.902 1.00 0.00 N ATOM 0 H LYS A 8 -3.368 5.356 -4.497 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.745 2.938 -5.906 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.727 5.055 -6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.173 5.838 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.204 4.687 -8.435 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.030 3.190 -8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.938 3.986 -10.163 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.183 4.208 -8.949 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.786 6.573 -8.798 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.212 6.449 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.871 7.281 -11.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.295 5.770 -11.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.821 5.891 -10.895 1.00 0.00 H new ATOM 139 N LYS A 9 -0.183 4.861 -5.048 1.00 0.00 N ATOM 140 CA LYS A 9 1.301 4.840 -4.854 1.00 0.00 C ATOM 141 C LYS A 9 1.652 4.091 -3.562 1.00 0.00 C ATOM 142 O LYS A 9 2.779 3.659 -3.382 1.00 0.00 O ATOM 143 CB LYS A 9 1.819 6.277 -4.763 1.00 0.00 C ATOM 144 CG LYS A 9 1.583 6.994 -6.097 1.00 0.00 C ATOM 145 CD LYS A 9 1.090 8.419 -5.836 1.00 0.00 C ATOM 146 CE LYS A 9 0.414 8.959 -7.096 1.00 0.00 C ATOM 147 NZ LYS A 9 1.388 8.947 -8.222 1.00 0.00 N ATOM 0 H LYS A 9 -0.638 5.734 -4.782 1.00 0.00 H new ATOM 0 HA LYS A 9 1.765 4.331 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.310 6.808 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.882 6.277 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.506 7.019 -6.676 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.849 6.448 -6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 9 0.389 8.426 -5.002 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.926 9.060 -5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.455 8.350 -7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.054 9.973 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.044 9.563 -8.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 2.310 9.293 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.492 7.976 -8.581 1.00 0.00 H new ATOM 161 N LYS A 10 0.701 3.962 -2.658 1.00 0.00 N ATOM 162 CA LYS A 10 0.952 3.274 -1.352 1.00 0.00 C ATOM 163 C LYS A 10 0.809 1.745 -1.454 1.00 0.00 C ATOM 164 O LYS A 10 1.658 1.020 -0.959 1.00 0.00 O ATOM 165 CB LYS A 10 -0.045 3.804 -0.318 1.00 0.00 C ATOM 166 CG LYS A 10 0.617 4.890 0.537 1.00 0.00 C ATOM 167 CD LYS A 10 1.274 4.248 1.761 1.00 0.00 C ATOM 168 CE LYS A 10 0.248 4.130 2.890 1.00 0.00 C ATOM 169 NZ LYS A 10 0.183 5.419 3.636 1.00 0.00 N ATOM 0 H LYS A 10 -0.250 4.311 -2.776 1.00 0.00 H new ATOM 0 HA LYS A 10 1.979 3.486 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -0.923 4.210 -0.821 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.391 2.989 0.318 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.363 5.425 -0.050 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.126 5.622 0.852 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.662 3.262 1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.123 4.849 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.732 3.884 2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.525 3.320 3.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.514 5.341 4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.118 5.635 4.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.100 6.181 2.988 1.00 0.00 H new ATOM 183 N HIS A 11 -0.278 1.252 -2.030 1.00 0.00 N ATOM 184 CA HIS A 11 -0.491 -0.237 -2.089 1.00 0.00 C ATOM 185 C HIS A 11 -0.646 -0.772 -3.520 1.00 0.00 C ATOM 186 O HIS A 11 -0.912 -1.951 -3.689 1.00 0.00 O ATOM 187 CB HIS A 11 -1.758 -0.587 -1.307 1.00 0.00 C ATOM 188 CG HIS A 11 -1.498 -0.454 0.167 1.00 0.00 C ATOM 189 ND1 HIS A 11 -0.766 -1.393 0.876 1.00 0.00 N ATOM 190 CD2 HIS A 11 -1.880 0.494 1.084 1.00 0.00 C ATOM 191 CE1 HIS A 11 -0.732 -0.994 2.161 1.00 0.00 C ATOM 192 NE2 HIS A 11 -1.395 0.151 2.342 1.00 0.00 N ATOM 0 H HIS A 11 -1.016 1.813 -2.456 1.00 0.00 H new ATOM 0 HA HIS A 11 0.397 -0.701 -1.659 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -2.573 0.073 -1.603 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.071 -1.605 -1.540 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -0.332 -2.233 0.494 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -2.468 1.373 0.862 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.230 -1.534 2.950 1.00 0.00 H new ATOM 200 N LEU A 12 -0.493 0.045 -4.542 1.00 0.00 N ATOM 201 CA LEU A 12 -0.649 -0.487 -5.945 1.00 0.00 C ATOM 202 C LEU A 12 0.668 -0.390 -6.713 1.00 0.00 C ATOM 203 O LEU A 12 1.265 0.668 -6.819 1.00 0.00 O ATOM 204 CB LEU A 12 -1.747 0.271 -6.698 1.00 0.00 C ATOM 205 CG LEU A 12 -3.042 0.275 -5.874 1.00 0.00 C ATOM 206 CD1 LEU A 12 -4.130 1.038 -6.638 1.00 0.00 C ATOM 207 CD2 LEU A 12 -3.509 -1.169 -5.631 1.00 0.00 C ATOM 0 H LEU A 12 -0.271 1.038 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.936 -1.536 -5.871 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.426 1.295 -6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.924 -0.196 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.856 0.760 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.050 1.042 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.804 2.064 -6.808 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.311 0.552 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.428 -1.160 -5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.692 -1.658 -6.588 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.738 -1.714 -5.087 1.00 0.00 H new ATOM 219 N THR A 13 1.106 -1.507 -7.250 1.00 0.00 N ATOM 220 CA THR A 13 2.379 -1.555 -8.036 1.00 0.00 C ATOM 221 C THR A 13 2.179 -2.463 -9.253 1.00 0.00 C ATOM 222 O THR A 13 1.296 -3.306 -9.260 1.00 0.00 O ATOM 223 CB THR A 13 3.504 -2.113 -7.159 1.00 0.00 C ATOM 224 OG1 THR A 13 3.010 -3.197 -6.385 1.00 0.00 O ATOM 225 CG2 THR A 13 4.017 -1.014 -6.229 1.00 0.00 C ATOM 0 H THR A 13 0.624 -2.403 -7.174 1.00 0.00 H new ATOM 0 HA THR A 13 2.647 -0.551 -8.365 1.00 0.00 H new ATOM 0 HB THR A 13 4.319 -2.463 -7.793 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.186 -3.540 -6.790 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.818 -1.410 -5.604 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.398 -0.183 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.202 -0.664 -5.595 1.00 0.00 H new ATOM 233 N ASP A 14 2.993 -2.292 -10.275 1.00 0.00 N ATOM 234 CA ASP A 14 2.869 -3.135 -11.508 1.00 0.00 C ATOM 235 C ASP A 14 4.080 -4.073 -11.624 1.00 0.00 C ATOM 236 O ASP A 14 4.406 -4.539 -12.705 1.00 0.00 O ATOM 237 CB ASP A 14 2.795 -2.218 -12.741 1.00 0.00 C ATOM 238 CG ASP A 14 1.393 -2.286 -13.357 1.00 0.00 C ATOM 239 OD1 ASP A 14 1.072 -3.307 -13.943 1.00 0.00 O ATOM 240 OD2 ASP A 14 0.664 -1.315 -13.228 1.00 0.00 O ATOM 0 H ASP A 14 3.741 -1.599 -10.305 1.00 0.00 H new ATOM 0 HA ASP A 14 1.963 -3.738 -11.448 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.028 -1.192 -12.457 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.540 -2.522 -13.476 1.00 0.00 H new ATOM 245 N THR A 15 4.734 -4.356 -10.514 1.00 0.00 N ATOM 246 CA THR A 15 5.923 -5.269 -10.526 1.00 0.00 C ATOM 247 C THR A 15 6.218 -5.733 -9.099 1.00 0.00 C ATOM 248 O THR A 15 5.967 -5.012 -8.146 1.00 0.00 O ATOM 249 CB THR A 15 7.148 -4.525 -11.073 1.00 0.00 C ATOM 250 OG1 THR A 15 7.126 -3.173 -10.631 1.00 0.00 O ATOM 251 CG2 THR A 15 7.133 -4.560 -12.601 1.00 0.00 C ATOM 0 H THR A 15 4.489 -3.988 -9.595 1.00 0.00 H new ATOM 0 HA THR A 15 5.707 -6.128 -11.161 1.00 0.00 H new ATOM 0 HB THR A 15 8.053 -5.011 -10.708 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.911 -2.702 -10.981 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.005 -4.030 -12.986 1.00 0.00 H new ATOM 0 HG22 THR A 15 7.158 -5.595 -12.941 1.00 0.00 H new ATOM 0 HG23 THR A 15 6.226 -4.079 -12.967 1.00 0.00 H new ATOM 259 N TRP A 16 6.762 -6.925 -8.954 1.00 0.00 N ATOM 260 CA TRP A 16 7.099 -7.453 -7.597 1.00 0.00 C ATOM 261 C TRP A 16 8.266 -6.641 -7.039 1.00 0.00 C ATOM 262 O TRP A 16 8.254 -6.228 -5.891 1.00 0.00 O ATOM 263 CB TRP A 16 7.502 -8.930 -7.702 1.00 0.00 C ATOM 264 CG TRP A 16 7.193 -9.656 -6.422 1.00 0.00 C ATOM 265 CD1 TRP A 16 7.265 -9.125 -5.176 1.00 0.00 C ATOM 266 CD2 TRP A 16 6.779 -11.044 -6.247 1.00 0.00 C ATOM 267 NE1 TRP A 16 6.912 -10.094 -4.255 1.00 0.00 N ATOM 268 CE2 TRP A 16 6.606 -11.293 -4.864 1.00 0.00 C ATOM 269 CE3 TRP A 16 6.535 -12.099 -7.145 1.00 0.00 C ATOM 270 CZ2 TRP A 16 6.207 -12.542 -4.390 1.00 0.00 C ATOM 271 CZ3 TRP A 16 6.136 -13.359 -6.671 1.00 0.00 C ATOM 272 CH2 TRP A 16 5.971 -13.579 -5.296 1.00 0.00 C ATOM 0 H TRP A 16 6.986 -7.554 -9.725 1.00 0.00 H new ATOM 0 HA TRP A 16 6.235 -7.369 -6.938 1.00 0.00 H new ATOM 0 HB2 TRP A 16 6.971 -9.399 -8.530 1.00 0.00 H new ATOM 0 HB3 TRP A 16 8.567 -9.007 -7.922 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.551 -8.110 -4.941 1.00 0.00 H new ATOM 0 HE1 TRP A 16 6.882 -9.941 -3.247 1.00 0.00 H new ATOM 0 HE3 TRP A 16 6.655 -11.939 -8.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 6.081 -12.707 -3.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 5.955 -14.163 -7.369 1.00 0.00 H new ATOM 0 HH2 TRP A 16 5.662 -14.550 -4.937 1.00 0.00 H new ATOM 283 N ASP A 17 9.264 -6.403 -7.863 1.00 0.00 N ATOM 284 CA ASP A 17 10.453 -5.607 -7.430 1.00 0.00 C ATOM 285 C ASP A 17 10.179 -4.125 -7.690 1.00 0.00 C ATOM 286 O ASP A 17 10.110 -3.695 -8.830 1.00 0.00 O ATOM 287 CB ASP A 17 11.678 -6.050 -8.232 1.00 0.00 C ATOM 288 CG ASP A 17 12.228 -7.351 -7.646 1.00 0.00 C ATOM 289 OD1 ASP A 17 11.536 -8.353 -7.727 1.00 0.00 O ATOM 290 OD2 ASP A 17 13.330 -7.324 -7.126 1.00 0.00 O ATOM 0 H ASP A 17 9.302 -6.732 -8.828 1.00 0.00 H new ATOM 0 HA ASP A 17 10.640 -5.766 -6.368 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.408 -6.195 -9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.443 -5.274 -8.205 1.00 0.00 H new ATOM 295 N VAL A 18 10.013 -3.352 -6.637 1.00 0.00 N ATOM 296 CA VAL A 18 9.730 -1.891 -6.786 1.00 0.00 C ATOM 297 C VAL A 18 10.976 -1.084 -6.408 1.00 0.00 C ATOM 298 O VAL A 18 11.866 -1.579 -5.736 1.00 0.00 O ATOM 299 CB VAL A 18 8.568 -1.510 -5.861 1.00 0.00 C ATOM 300 CG1 VAL A 18 8.259 -0.014 -5.992 1.00 0.00 C ATOM 301 CG2 VAL A 18 7.327 -2.316 -6.247 1.00 0.00 C ATOM 0 H VAL A 18 10.063 -3.679 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 18 9.464 -1.672 -7.820 1.00 0.00 H new ATOM 0 HB VAL A 18 8.847 -1.729 -4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.432 0.246 -5.331 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.140 0.565 -5.716 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.984 0.212 -7.022 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.500 -2.047 -5.591 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.057 -2.096 -7.280 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.539 -3.380 -6.146 1.00 0.00 H new ATOM 311 N ASP A 19 11.018 0.160 -6.832 1.00 0.00 N ATOM 312 CA ASP A 19 12.178 1.050 -6.512 1.00 0.00 C ATOM 313 C ASP A 19 11.851 1.862 -5.251 1.00 0.00 C ATOM 314 O ASP A 19 11.242 2.920 -5.317 1.00 0.00 O ATOM 315 CB ASP A 19 12.441 1.991 -7.693 1.00 0.00 C ATOM 316 CG ASP A 19 13.102 1.209 -8.830 1.00 0.00 C ATOM 317 OD1 ASP A 19 14.115 0.578 -8.579 1.00 0.00 O ATOM 318 OD2 ASP A 19 12.583 1.254 -9.934 1.00 0.00 O ATOM 0 H ASP A 19 10.288 0.599 -7.393 1.00 0.00 H new ATOM 0 HA ASP A 19 13.071 0.451 -6.334 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.505 2.432 -8.036 1.00 0.00 H new ATOM 0 HB3 ASP A 19 13.085 2.813 -7.380 1.00 0.00 H new ATOM 323 N CYS A 20 12.248 1.352 -4.105 1.00 0.00 N ATOM 324 CA CYS A 20 11.976 2.042 -2.803 1.00 0.00 C ATOM 325 C CYS A 20 12.741 3.371 -2.732 1.00 0.00 C ATOM 326 O CYS A 20 12.186 4.391 -2.357 1.00 0.00 O ATOM 327 CB CYS A 20 12.437 1.140 -1.654 1.00 0.00 C ATOM 328 SG CYS A 20 11.645 -0.484 -1.790 1.00 0.00 S ATOM 0 H CYS A 20 12.757 0.472 -4.018 1.00 0.00 H new ATOM 0 HA CYS A 20 10.907 2.242 -2.724 1.00 0.00 H new ATOM 0 HB2 CYS A 20 13.521 1.029 -1.680 1.00 0.00 H new ATOM 0 HB3 CYS A 20 12.186 1.598 -0.697 1.00 0.00 H new ATOM 333 N ASP A 21 14.012 3.348 -3.065 1.00 0.00 N ATOM 334 CA ASP A 21 14.862 4.585 -3.005 1.00 0.00 C ATOM 335 C ASP A 21 14.377 5.651 -3.999 1.00 0.00 C ATOM 336 O ASP A 21 14.793 6.796 -3.918 1.00 0.00 O ATOM 337 CB ASP A 21 16.313 4.219 -3.336 1.00 0.00 C ATOM 338 CG ASP A 21 16.973 3.576 -2.115 1.00 0.00 C ATOM 339 OD1 ASP A 21 16.965 4.198 -1.066 1.00 0.00 O ATOM 340 OD2 ASP A 21 17.478 2.474 -2.251 1.00 0.00 O ATOM 0 H ASP A 21 14.504 2.512 -3.381 1.00 0.00 H new ATOM 0 HA ASP A 21 14.789 4.996 -1.998 1.00 0.00 H new ATOM 0 HB2 ASP A 21 16.341 3.531 -4.181 1.00 0.00 H new ATOM 0 HB3 ASP A 21 16.865 5.111 -3.632 1.00 0.00 H new ATOM 345 N ASN A 22 13.524 5.288 -4.937 1.00 0.00 N ATOM 346 CA ASN A 22 13.030 6.282 -5.946 1.00 0.00 C ATOM 347 C ASN A 22 11.812 7.033 -5.401 1.00 0.00 C ATOM 348 O ASN A 22 11.657 8.220 -5.635 1.00 0.00 O ATOM 349 CB ASN A 22 12.647 5.550 -7.234 1.00 0.00 C ATOM 350 CG ASN A 22 13.888 5.379 -8.111 1.00 0.00 C ATOM 351 OD1 ASN A 22 13.957 5.922 -9.197 1.00 0.00 O ATOM 352 ND2 ASN A 22 14.879 4.644 -7.686 1.00 0.00 N ATOM 0 H ASN A 22 13.150 4.345 -5.044 1.00 0.00 H new ATOM 0 HA ASN A 22 13.822 7.001 -6.153 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.218 4.576 -6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.883 6.112 -7.771 1.00 0.00 H new ATOM 0 HD21 ASN A 22 15.711 4.525 -8.265 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.822 4.188 -6.775 1.00 0.00 H new ATOM 359 N LEU A 23 10.951 6.343 -4.685 1.00 0.00 N ATOM 360 CA LEU A 23 9.722 6.988 -4.112 1.00 0.00 C ATOM 361 C LEU A 23 10.004 7.484 -2.690 1.00 0.00 C ATOM 362 O LEU A 23 9.329 8.371 -2.195 1.00 0.00 O ATOM 363 CB LEU A 23 8.581 5.960 -4.072 1.00 0.00 C ATOM 364 CG LEU A 23 7.974 5.767 -5.471 1.00 0.00 C ATOM 365 CD1 LEU A 23 7.414 7.094 -5.990 1.00 0.00 C ATOM 366 CD2 LEU A 23 9.042 5.249 -6.441 1.00 0.00 C ATOM 0 H LEU A 23 11.049 5.350 -4.471 1.00 0.00 H new ATOM 0 HA LEU A 23 9.438 7.834 -4.737 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.956 5.007 -3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.809 6.293 -3.378 1.00 0.00 H new ATOM 0 HG LEU A 23 7.166 5.039 -5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.987 6.946 -6.982 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.640 7.453 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.216 7.830 -6.047 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.602 5.116 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.858 5.969 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.426 4.294 -6.083 1.00 0.00 H new ATOM 378 N MET A 24 10.985 6.905 -2.038 1.00 0.00 N ATOM 379 CA MET A 24 11.338 7.295 -0.638 1.00 0.00 C ATOM 380 C MET A 24 11.649 8.808 -0.499 1.00 0.00 C ATOM 381 O MET A 24 11.184 9.410 0.453 1.00 0.00 O ATOM 382 CB MET A 24 12.546 6.458 -0.190 1.00 0.00 C ATOM 383 CG MET A 24 12.958 6.820 1.241 1.00 0.00 C ATOM 384 SD MET A 24 14.594 6.132 1.584 1.00 0.00 S ATOM 385 CE MET A 24 15.502 7.132 0.381 1.00 0.00 C ATOM 0 H MET A 24 11.567 6.163 -2.427 1.00 0.00 H new ATOM 0 HA MET A 24 10.476 7.100 -0.001 1.00 0.00 H new ATOM 0 HB2 MET A 24 12.300 5.398 -0.245 1.00 0.00 H new ATOM 0 HB3 MET A 24 13.383 6.627 -0.868 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.973 7.903 1.364 1.00 0.00 H new ATOM 0 HG3 MET A 24 12.230 6.428 1.951 1.00 0.00 H new ATOM 0 HE1 MET A 24 16.534 7.250 0.711 1.00 0.00 H new ATOM 0 HE2 MET A 24 15.486 6.637 -0.590 1.00 0.00 H new ATOM 0 HE3 MET A 24 15.034 8.113 0.296 1.00 0.00 H new ATOM 395 N PRO A 25 12.448 9.387 -1.395 1.00 0.00 N ATOM 396 CA PRO A 25 12.832 10.816 -1.286 1.00 0.00 C ATOM 397 C PRO A 25 11.723 11.777 -1.746 1.00 0.00 C ATOM 398 O PRO A 25 11.956 12.973 -1.825 1.00 0.00 O ATOM 399 CB PRO A 25 14.048 10.938 -2.205 1.00 0.00 C ATOM 400 CG PRO A 25 13.955 9.769 -3.213 1.00 0.00 C ATOM 401 CD PRO A 25 13.040 8.707 -2.578 1.00 0.00 C ATOM 0 HA PRO A 25 13.029 11.091 -0.250 1.00 0.00 H new ATOM 0 HB2 PRO A 25 14.049 11.897 -2.722 1.00 0.00 H new ATOM 0 HB3 PRO A 25 14.974 10.884 -1.633 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.548 10.111 -4.165 1.00 0.00 H new ATOM 0 HG3 PRO A 25 14.943 9.356 -3.418 1.00 0.00 H new ATOM 0 HD2 PRO A 25 12.269 8.379 -3.275 1.00 0.00 H new ATOM 0 HD3 PRO A 25 13.603 7.821 -2.286 1.00 0.00 H new ATOM 409 N THR A 26 10.538 11.282 -2.046 1.00 0.00 N ATOM 410 CA THR A 26 9.428 12.189 -2.496 1.00 0.00 C ATOM 411 C THR A 26 8.702 12.753 -1.272 1.00 0.00 C ATOM 412 O THR A 26 9.070 12.482 -0.140 1.00 0.00 O ATOM 413 CB THR A 26 8.417 11.429 -3.375 1.00 0.00 C ATOM 414 OG1 THR A 26 9.026 10.281 -3.955 1.00 0.00 O ATOM 415 CG2 THR A 26 7.911 12.350 -4.490 1.00 0.00 C ATOM 0 H THR A 26 10.294 10.293 -1.998 1.00 0.00 H new ATOM 0 HA THR A 26 9.863 12.998 -3.083 1.00 0.00 H new ATOM 0 HB THR A 26 7.583 11.110 -2.750 1.00 0.00 H new ATOM 0 HG1 THR A 26 8.805 9.489 -3.422 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.196 11.811 -5.111 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.425 13.221 -4.050 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.752 12.675 -5.103 1.00 0.00 H new ATOM 423 N SER A 27 7.669 13.531 -1.507 1.00 0.00 N ATOM 424 CA SER A 27 6.876 14.136 -0.387 1.00 0.00 C ATOM 425 C SER A 27 5.834 13.132 0.130 1.00 0.00 C ATOM 426 O SER A 27 5.277 13.316 1.199 1.00 0.00 O ATOM 427 CB SER A 27 6.165 15.393 -0.891 1.00 0.00 C ATOM 428 OG SER A 27 5.710 16.152 0.221 1.00 0.00 O ATOM 0 H SER A 27 7.338 13.775 -2.440 1.00 0.00 H new ATOM 0 HA SER A 27 7.552 14.395 0.428 1.00 0.00 H new ATOM 0 HB2 SER A 27 6.844 15.990 -1.500 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.324 15.119 -1.528 1.00 0.00 H new ATOM 0 HG SER A 27 5.393 15.546 0.923 1.00 0.00 H new ATOM 434 N LEU A 28 5.575 12.077 -0.622 1.00 0.00 N ATOM 435 CA LEU A 28 4.577 11.048 -0.195 1.00 0.00 C ATOM 436 C LEU A 28 5.243 10.115 0.812 1.00 0.00 C ATOM 437 O LEU A 28 4.625 9.674 1.767 1.00 0.00 O ATOM 438 CB LEU A 28 4.123 10.249 -1.420 1.00 0.00 C ATOM 439 CG LEU A 28 3.045 9.239 -1.016 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.662 9.883 -1.150 1.00 0.00 C ATOM 441 CD2 LEU A 28 3.128 8.008 -1.929 1.00 0.00 C ATOM 0 H LEU A 28 6.021 11.890 -1.520 1.00 0.00 H new ATOM 0 HA LEU A 28 3.710 11.526 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.733 10.925 -2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.973 9.729 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 28 3.204 8.935 0.019 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.896 9.163 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.602 10.756 -0.500 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.502 10.189 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.361 7.289 -1.641 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.971 8.311 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.111 7.548 -1.831 1.00 0.00 H new ATOM 453 N PHE A 29 6.504 9.826 0.591 1.00 0.00 N ATOM 454 CA PHE A 29 7.266 8.930 1.507 1.00 0.00 C ATOM 455 C PHE A 29 8.173 9.788 2.392 1.00 0.00 C ATOM 456 O PHE A 29 8.281 9.559 3.586 1.00 0.00 O ATOM 457 CB PHE A 29 8.110 7.962 0.675 1.00 0.00 C ATOM 458 CG PHE A 29 7.202 6.951 0.019 1.00 0.00 C ATOM 459 CD1 PHE A 29 6.876 5.765 0.687 1.00 0.00 C ATOM 460 CD2 PHE A 29 6.686 7.200 -1.258 1.00 0.00 C ATOM 461 CE1 PHE A 29 6.033 4.828 0.077 1.00 0.00 C ATOM 462 CE2 PHE A 29 5.844 6.264 -1.867 1.00 0.00 C ATOM 463 CZ PHE A 29 5.517 5.078 -1.199 1.00 0.00 C ATOM 0 H PHE A 29 7.042 10.181 -0.199 1.00 0.00 H new ATOM 0 HA PHE A 29 6.582 8.358 2.134 1.00 0.00 H new ATOM 0 HB2 PHE A 29 8.672 8.509 -0.082 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.838 7.457 1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.274 5.573 1.672 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.938 8.115 -1.773 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.781 3.912 0.592 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.446 6.456 -2.852 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.866 4.356 -1.669 1.00 0.00 H new ATOM 473 N ASP A 30 8.812 10.783 1.804 1.00 0.00 N ATOM 474 CA ASP A 30 9.724 11.706 2.571 1.00 0.00 C ATOM 475 C ASP A 30 10.654 10.905 3.510 1.00 0.00 C ATOM 476 O ASP A 30 10.855 11.261 4.665 1.00 0.00 O ATOM 477 CB ASP A 30 8.869 12.692 3.378 1.00 0.00 C ATOM 478 CG ASP A 30 9.736 13.874 3.817 1.00 0.00 C ATOM 479 OD1 ASP A 30 10.221 14.581 2.949 1.00 0.00 O ATOM 480 OD2 ASP A 30 9.902 14.051 5.012 1.00 0.00 O ATOM 0 H ASP A 30 8.738 10.997 0.809 1.00 0.00 H new ATOM 0 HA ASP A 30 10.353 12.254 1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.033 13.044 2.774 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.445 12.194 4.250 1.00 0.00 H new ATOM 485 N CYS A 31 11.219 9.825 3.010 1.00 0.00 N ATOM 486 CA CYS A 31 12.135 8.979 3.840 1.00 0.00 C ATOM 487 C CYS A 31 11.354 8.434 5.049 1.00 0.00 C ATOM 488 O CYS A 31 11.843 8.405 6.171 1.00 0.00 O ATOM 489 CB CYS A 31 13.335 9.822 4.299 1.00 0.00 C ATOM 490 SG CYS A 31 14.747 9.502 3.209 1.00 0.00 S ATOM 0 H CYS A 31 11.081 9.494 2.055 1.00 0.00 H new ATOM 0 HA CYS A 31 12.509 8.139 3.254 1.00 0.00 H new ATOM 0 HB2 CYS A 31 13.078 10.881 4.279 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.593 9.576 5.329 1.00 0.00 H new ATOM 495 N LYS A 32 10.133 8.004 4.808 1.00 0.00 N ATOM 496 CA LYS A 32 9.268 7.457 5.904 1.00 0.00 C ATOM 497 C LYS A 32 9.921 6.211 6.519 1.00 0.00 C ATOM 498 O LYS A 32 11.089 5.938 6.295 1.00 0.00 O ATOM 499 CB LYS A 32 7.888 7.095 5.333 1.00 0.00 C ATOM 500 CG LYS A 32 6.790 7.769 6.165 1.00 0.00 C ATOM 501 CD LYS A 32 5.437 7.594 5.473 1.00 0.00 C ATOM 502 CE LYS A 32 4.328 7.549 6.526 1.00 0.00 C ATOM 503 NZ LYS A 32 4.163 6.150 7.016 1.00 0.00 N ATOM 0 H LYS A 32 9.696 8.010 3.886 1.00 0.00 H new ATOM 0 HA LYS A 32 9.153 8.213 6.681 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.818 7.416 4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.752 6.014 5.342 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.758 7.333 7.163 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.012 8.829 6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.262 8.417 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.433 6.676 4.886 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.574 8.210 7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.392 7.909 6.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.409 6.120 7.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.910 5.531 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.055 5.823 7.439 1.00 0.00 H new ATOM 517 N ASP A 33 9.162 5.469 7.302 1.00 0.00 N ATOM 518 CA ASP A 33 9.695 4.236 7.967 1.00 0.00 C ATOM 519 C ASP A 33 9.697 3.059 6.986 1.00 0.00 C ATOM 520 O ASP A 33 10.746 2.566 6.607 1.00 0.00 O ATOM 521 CB ASP A 33 8.816 3.889 9.171 1.00 0.00 C ATOM 522 CG ASP A 33 8.967 4.969 10.243 1.00 0.00 C ATOM 523 OD1 ASP A 33 8.356 6.014 10.094 1.00 0.00 O ATOM 524 OD2 ASP A 33 9.689 4.733 11.197 1.00 0.00 O ATOM 0 H ASP A 33 8.184 5.672 7.508 1.00 0.00 H new ATOM 0 HA ASP A 33 10.717 4.426 8.294 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.773 3.811 8.863 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.102 2.918 9.575 1.00 0.00 H new ATOM 529 N LYS A 34 8.526 2.604 6.586 1.00 0.00 N ATOM 530 CA LYS A 34 8.433 1.447 5.635 1.00 0.00 C ATOM 531 C LYS A 34 7.070 1.448 4.939 1.00 0.00 C ATOM 532 O LYS A 34 6.108 2.000 5.445 1.00 0.00 O ATOM 533 CB LYS A 34 8.603 0.136 6.408 1.00 0.00 C ATOM 534 CG LYS A 34 7.606 0.093 7.570 1.00 0.00 C ATOM 535 CD LYS A 34 7.938 -1.081 8.494 1.00 0.00 C ATOM 536 CE LYS A 34 7.025 -1.041 9.722 1.00 0.00 C ATOM 537 NZ LYS A 34 7.067 -2.357 10.420 1.00 0.00 N ATOM 0 H LYS A 34 7.628 2.988 6.881 1.00 0.00 H new ATOM 0 HA LYS A 34 9.219 1.539 4.886 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.440 -0.713 5.744 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.622 0.054 6.786 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.643 1.029 8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 34 6.591 -0.010 7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 34 7.808 -2.024 7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 34 8.982 -1.030 8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.344 -0.249 10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.003 -0.810 9.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 6.446 -2.328 11.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.743 -3.104 9.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.042 -2.559 10.721 1.00 0.00 H new ATOM 551 N ASN A 35 6.997 0.823 3.782 1.00 0.00 N ATOM 552 CA ASN A 35 5.711 0.756 3.015 1.00 0.00 C ATOM 553 C ASN A 35 5.500 -0.682 2.514 1.00 0.00 C ATOM 554 O ASN A 35 6.429 -1.467 2.445 1.00 0.00 O ATOM 555 CB ASN A 35 5.785 1.741 1.827 1.00 0.00 C ATOM 556 CG ASN A 35 4.634 1.497 0.833 1.00 0.00 C ATOM 557 OD1 ASN A 35 4.631 0.507 0.132 1.00 0.00 O ATOM 558 ND2 ASN A 35 3.658 2.360 0.736 1.00 0.00 N ATOM 0 H ASN A 35 7.784 0.353 3.334 1.00 0.00 H new ATOM 0 HA ASN A 35 4.871 1.033 3.652 1.00 0.00 H new ATOM 0 HB2 ASN A 35 5.740 2.765 2.196 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.741 1.628 1.316 1.00 0.00 H new ATOM 0 HD21 ASN A 35 2.899 2.199 0.074 1.00 0.00 H new ATOM 0 HD22 ASN A 35 3.655 3.194 1.323 1.00 0.00 H new ATOM 565 N THR A 36 4.277 -1.007 2.155 1.00 0.00 N ATOM 566 CA THR A 36 3.950 -2.369 1.630 1.00 0.00 C ATOM 567 C THR A 36 3.107 -2.213 0.363 1.00 0.00 C ATOM 568 O THR A 36 2.029 -1.641 0.403 1.00 0.00 O ATOM 569 CB THR A 36 3.158 -3.153 2.681 1.00 0.00 C ATOM 570 OG1 THR A 36 3.689 -2.892 3.974 1.00 0.00 O ATOM 571 CG2 THR A 36 3.253 -4.649 2.379 1.00 0.00 C ATOM 0 H THR A 36 3.480 -0.372 2.206 1.00 0.00 H new ATOM 0 HA THR A 36 4.869 -2.910 1.404 1.00 0.00 H new ATOM 0 HB THR A 36 2.113 -2.843 2.653 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.179 -3.393 4.644 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.690 -5.208 3.126 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.840 -4.848 1.390 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.297 -4.960 2.405 1.00 0.00 H new ATOM 579 N PHE A 37 3.598 -2.706 -0.756 1.00 0.00 N ATOM 580 CA PHE A 37 2.848 -2.584 -2.048 1.00 0.00 C ATOM 581 C PHE A 37 2.101 -3.886 -2.350 1.00 0.00 C ATOM 582 O PHE A 37 2.392 -4.926 -1.783 1.00 0.00 O ATOM 583 CB PHE A 37 3.831 -2.311 -3.191 1.00 0.00 C ATOM 584 CG PHE A 37 4.590 -1.032 -2.933 1.00 0.00 C ATOM 585 CD1 PHE A 37 3.900 0.157 -2.674 1.00 0.00 C ATOM 586 CD2 PHE A 37 5.990 -1.037 -2.962 1.00 0.00 C ATOM 587 CE1 PHE A 37 4.610 1.341 -2.442 1.00 0.00 C ATOM 588 CE2 PHE A 37 6.699 0.146 -2.730 1.00 0.00 C ATOM 589 CZ PHE A 37 6.008 1.336 -2.470 1.00 0.00 C ATOM 0 H PHE A 37 4.493 -3.190 -0.826 1.00 0.00 H new ATOM 0 HA PHE A 37 2.136 -1.764 -1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.529 -3.143 -3.287 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.291 -2.238 -4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.820 0.162 -2.653 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.522 -1.955 -3.164 1.00 0.00 H new ATOM 0 HE1 PHE A 37 4.078 2.259 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 37 7.779 0.142 -2.751 1.00 0.00 H new ATOM 0 HZ PHE A 37 6.555 2.250 -2.291 1.00 0.00 H new ATOM 599 N ILE A 38 1.155 -3.819 -3.262 1.00 0.00 N ATOM 600 CA ILE A 38 0.369 -5.028 -3.663 1.00 0.00 C ATOM 601 C ILE A 38 0.644 -5.308 -5.140 1.00 0.00 C ATOM 602 O ILE A 38 0.633 -4.399 -5.958 1.00 0.00 O ATOM 603 CB ILE A 38 -1.128 -4.765 -3.464 1.00 0.00 C ATOM 604 CG1 ILE A 38 -1.381 -4.204 -2.051 1.00 0.00 C ATOM 605 CG2 ILE A 38 -1.906 -6.071 -3.650 1.00 0.00 C ATOM 606 CD1 ILE A 38 -0.922 -5.208 -0.986 1.00 0.00 C ATOM 0 H ILE A 38 0.893 -2.963 -3.751 1.00 0.00 H new ATOM 0 HA ILE A 38 0.660 -5.883 -3.052 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.465 -4.035 -4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.847 -3.262 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.442 -3.988 -1.923 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.970 -5.884 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -1.736 -6.456 -4.656 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.566 -6.804 -2.919 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.108 -4.796 0.006 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.476 -6.140 -1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.144 -5.402 -1.105 1.00 0.00 H new ATOM 618 N TYR A 39 0.898 -6.553 -5.482 1.00 0.00 N ATOM 619 CA TYR A 39 1.188 -6.913 -6.904 1.00 0.00 C ATOM 620 C TYR A 39 -0.098 -7.420 -7.567 1.00 0.00 C ATOM 621 O TYR A 39 -0.347 -8.614 -7.656 1.00 0.00 O ATOM 622 CB TYR A 39 2.276 -7.995 -6.942 1.00 0.00 C ATOM 623 CG TYR A 39 2.660 -8.287 -8.375 1.00 0.00 C ATOM 624 CD1 TYR A 39 3.025 -7.242 -9.235 1.00 0.00 C ATOM 625 CD2 TYR A 39 2.654 -9.607 -8.841 1.00 0.00 C ATOM 626 CE1 TYR A 39 3.382 -7.519 -10.560 1.00 0.00 C ATOM 627 CE2 TYR A 39 3.012 -9.884 -10.165 1.00 0.00 C ATOM 628 CZ TYR A 39 3.376 -8.840 -11.025 1.00 0.00 C ATOM 629 OH TYR A 39 3.728 -9.114 -12.332 1.00 0.00 O ATOM 0 H TYR A 39 0.916 -7.337 -4.830 1.00 0.00 H new ATOM 0 HA TYR A 39 1.545 -6.038 -7.448 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.151 -7.664 -6.382 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.915 -8.904 -6.461 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.031 -6.224 -8.876 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.373 -10.412 -8.178 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.662 -6.714 -11.223 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.008 -10.903 -10.524 1.00 0.00 H new ATOM 0 HH TYR A 39 3.672 -10.079 -12.490 1.00 0.00 H new ATOM 639 N SER A 40 -0.916 -6.498 -8.028 1.00 0.00 N ATOM 640 CA SER A 40 -2.203 -6.866 -8.694 1.00 0.00 C ATOM 641 C SER A 40 -2.741 -5.654 -9.456 1.00 0.00 C ATOM 642 O SER A 40 -2.255 -4.546 -9.294 1.00 0.00 O ATOM 643 CB SER A 40 -3.222 -7.295 -7.638 1.00 0.00 C ATOM 644 OG SER A 40 -4.224 -8.098 -8.249 1.00 0.00 O ATOM 0 H SER A 40 -0.740 -5.495 -7.968 1.00 0.00 H new ATOM 0 HA SER A 40 -2.032 -7.690 -9.387 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.726 -7.854 -6.844 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.675 -6.418 -7.176 1.00 0.00 H new ATOM 0 HG SER A 40 -4.878 -8.376 -7.574 1.00 0.00 H new ATOM 650 N LEU A 41 -3.744 -5.867 -10.279 1.00 0.00 N ATOM 651 CA LEU A 41 -4.342 -4.749 -11.070 1.00 0.00 C ATOM 652 C LEU A 41 -5.388 -4.021 -10.209 1.00 0.00 C ATOM 653 O LEU A 41 -5.929 -4.610 -9.287 1.00 0.00 O ATOM 654 CB LEU A 41 -5.012 -5.310 -12.331 1.00 0.00 C ATOM 655 CG LEU A 41 -3.965 -6.009 -13.208 1.00 0.00 C ATOM 656 CD1 LEU A 41 -4.048 -7.526 -13.009 1.00 0.00 C ATOM 657 CD2 LEU A 41 -4.225 -5.680 -14.682 1.00 0.00 C ATOM 0 H LEU A 41 -4.175 -6.778 -10.435 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.559 -4.049 -11.362 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.797 -6.014 -12.054 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.489 -4.505 -12.890 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.973 -5.659 -12.923 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.302 -8.016 -13.634 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.859 -7.767 -11.963 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.042 -7.876 -13.288 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.480 -6.178 -15.303 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.220 -6.026 -14.962 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.160 -4.602 -14.831 1.00 0.00 H new ATOM 669 N PRO A 42 -5.657 -2.762 -10.532 1.00 0.00 N ATOM 670 CA PRO A 42 -6.643 -1.953 -9.787 1.00 0.00 C ATOM 671 C PRO A 42 -8.078 -2.353 -10.165 1.00 0.00 C ATOM 672 O PRO A 42 -9.017 -2.005 -9.471 1.00 0.00 O ATOM 673 CB PRO A 42 -6.336 -0.515 -10.214 1.00 0.00 C ATOM 674 CG PRO A 42 -5.595 -0.606 -11.567 1.00 0.00 C ATOM 675 CD PRO A 42 -5.018 -2.030 -11.658 1.00 0.00 C ATOM 0 HA PRO A 42 -6.574 -2.091 -8.708 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.254 0.064 -10.313 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -5.721 -0.012 -9.468 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.276 -0.410 -12.395 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -4.801 0.138 -11.624 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -5.252 -2.493 -12.617 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.932 -2.025 -11.563 1.00 0.00 H new ATOM 683 N GLY A 43 -8.249 -3.079 -11.255 1.00 0.00 N ATOM 684 CA GLY A 43 -9.615 -3.511 -11.689 1.00 0.00 C ATOM 685 C GLY A 43 -10.195 -4.523 -10.682 1.00 0.00 C ATOM 686 O GLY A 43 -11.261 -4.285 -10.142 1.00 0.00 O ATOM 0 H GLY A 43 -7.491 -3.390 -11.863 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.272 -2.645 -11.765 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.565 -3.961 -12.681 1.00 0.00 H new ATOM 690 N PRO A 44 -9.491 -5.630 -10.456 1.00 0.00 N ATOM 691 CA PRO A 44 -9.950 -6.677 -9.517 1.00 0.00 C ATOM 692 C PRO A 44 -9.759 -6.237 -8.060 1.00 0.00 C ATOM 693 O PRO A 44 -10.507 -6.652 -7.189 1.00 0.00 O ATOM 694 CB PRO A 44 -9.067 -7.883 -9.849 1.00 0.00 C ATOM 695 CG PRO A 44 -7.804 -7.325 -10.540 1.00 0.00 C ATOM 696 CD PRO A 44 -8.186 -5.943 -11.099 1.00 0.00 C ATOM 0 HA PRO A 44 -11.013 -6.894 -9.620 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.804 -8.432 -8.945 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.591 -8.579 -10.503 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.979 -7.243 -9.832 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.474 -7.989 -11.339 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -7.433 -5.194 -10.855 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -8.273 -5.964 -12.185 1.00 0.00 H new ATOM 704 N VAL A 45 -8.776 -5.397 -7.796 1.00 0.00 N ATOM 705 CA VAL A 45 -8.538 -4.914 -6.397 1.00 0.00 C ATOM 706 C VAL A 45 -9.622 -3.897 -6.052 1.00 0.00 C ATOM 707 O VAL A 45 -10.310 -4.030 -5.052 1.00 0.00 O ATOM 708 CB VAL A 45 -7.148 -4.271 -6.300 1.00 0.00 C ATOM 709 CG1 VAL A 45 -6.895 -3.756 -4.875 1.00 0.00 C ATOM 710 CG2 VAL A 45 -6.090 -5.320 -6.648 1.00 0.00 C ATOM 0 H VAL A 45 -8.130 -5.027 -8.493 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.578 -5.747 -5.695 1.00 0.00 H new ATOM 0 HB VAL A 45 -7.094 -3.432 -6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.905 -3.303 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.649 -3.012 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.951 -4.587 -4.172 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.098 -4.872 -6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.160 -6.153 -5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.257 -5.683 -7.662 1.00 0.00 H new ATOM 720 N LYS A 46 -9.782 -2.899 -6.890 1.00 0.00 N ATOM 721 CA LYS A 46 -10.829 -1.861 -6.657 1.00 0.00 C ATOM 722 C LYS A 46 -12.209 -2.522 -6.729 1.00 0.00 C ATOM 723 O LYS A 46 -13.155 -2.053 -6.119 1.00 0.00 O ATOM 724 CB LYS A 46 -10.724 -0.777 -7.731 1.00 0.00 C ATOM 725 CG LYS A 46 -11.702 0.355 -7.416 1.00 0.00 C ATOM 726 CD LYS A 46 -12.103 1.057 -8.713 1.00 0.00 C ATOM 727 CE LYS A 46 -11.130 2.203 -8.996 1.00 0.00 C ATOM 728 NZ LYS A 46 -11.557 3.417 -8.244 1.00 0.00 N ATOM 0 H LYS A 46 -9.224 -2.761 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.687 -1.408 -5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.706 -0.390 -7.773 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -10.945 -1.200 -8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.586 -0.042 -6.916 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -11.242 1.068 -6.731 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.096 0.347 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -13.120 1.441 -8.632 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.120 1.917 -8.702 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.103 2.415 -10.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.895 4.196 -8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.513 3.693 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.561 3.210 -7.225 1.00 0.00 H new ATOM 742 N ALA A 47 -12.321 -3.615 -7.467 1.00 0.00 N ATOM 743 CA ALA A 47 -13.631 -4.335 -7.591 1.00 0.00 C ATOM 744 C ALA A 47 -14.147 -4.699 -6.197 1.00 0.00 C ATOM 745 O ALA A 47 -15.343 -4.697 -5.951 1.00 0.00 O ATOM 746 CB ALA A 47 -13.437 -5.614 -8.406 1.00 0.00 C ATOM 0 H ALA A 47 -11.553 -4.036 -7.989 1.00 0.00 H new ATOM 0 HA ALA A 47 -14.352 -3.689 -8.092 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -14.389 -6.136 -8.495 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.068 -5.360 -9.400 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.715 -6.259 -7.905 1.00 0.00 H new ATOM 752 N LEU A 48 -13.241 -5.002 -5.288 1.00 0.00 N ATOM 753 CA LEU A 48 -13.640 -5.364 -3.892 1.00 0.00 C ATOM 754 C LEU A 48 -14.367 -4.178 -3.255 1.00 0.00 C ATOM 755 O LEU A 48 -15.317 -4.349 -2.509 1.00 0.00 O ATOM 756 CB LEU A 48 -12.390 -5.691 -3.071 1.00 0.00 C ATOM 757 CG LEU A 48 -11.819 -7.037 -3.519 1.00 0.00 C ATOM 758 CD1 LEU A 48 -10.491 -7.294 -2.803 1.00 0.00 C ATOM 759 CD2 LEU A 48 -12.809 -8.149 -3.168 1.00 0.00 C ATOM 0 H LEU A 48 -12.236 -5.012 -5.460 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.298 -6.233 -3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.643 -4.907 -3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -12.638 -5.725 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.653 -7.021 -4.596 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.085 -8.254 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.785 -6.501 -3.050 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.656 -7.311 -1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.405 -9.110 -3.486 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.973 -8.163 -2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.756 -7.967 -3.677 1.00 0.00 H new ATOM 771 N CYS A 49 -13.915 -2.980 -3.555 1.00 0.00 N ATOM 772 CA CYS A 49 -14.545 -1.745 -2.993 1.00 0.00 C ATOM 773 C CYS A 49 -15.800 -1.379 -3.788 1.00 0.00 C ATOM 774 O CYS A 49 -16.625 -0.618 -3.313 1.00 0.00 O ATOM 775 CB CYS A 49 -13.547 -0.589 -3.071 1.00 0.00 C ATOM 776 SG CYS A 49 -12.556 -0.549 -1.558 1.00 0.00 S ATOM 0 H CYS A 49 -13.124 -2.807 -4.175 1.00 0.00 H new ATOM 0 HA CYS A 49 -14.823 -1.931 -1.956 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -12.900 -0.710 -3.940 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -14.076 0.355 -3.197 1.00 0.00 H new ATOM 781 N ARG A 50 -15.949 -1.908 -4.991 1.00 0.00 N ATOM 782 CA ARG A 50 -17.153 -1.592 -5.831 1.00 0.00 C ATOM 783 C ARG A 50 -18.433 -1.890 -5.034 1.00 0.00 C ATOM 784 O ARG A 50 -18.921 -3.011 -5.018 1.00 0.00 O ATOM 785 CB ARG A 50 -17.120 -2.443 -7.105 1.00 0.00 C ATOM 786 CG ARG A 50 -17.820 -1.688 -8.238 1.00 0.00 C ATOM 787 CD ARG A 50 -19.295 -2.098 -8.296 1.00 0.00 C ATOM 788 NE ARG A 50 -19.490 -3.096 -9.387 1.00 0.00 N ATOM 789 CZ ARG A 50 -19.232 -4.358 -9.171 1.00 0.00 C ATOM 790 NH1 ARG A 50 -20.066 -5.085 -8.479 1.00 0.00 N ATOM 791 NH2 ARG A 50 -18.144 -4.893 -9.654 1.00 0.00 N ATOM 0 H ARG A 50 -15.283 -2.547 -5.424 1.00 0.00 H new ATOM 0 HA ARG A 50 -17.143 -0.536 -6.102 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -16.089 -2.663 -7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -17.614 -3.399 -6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -17.737 -0.613 -8.077 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -17.334 -1.907 -9.189 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.604 -2.522 -7.341 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -19.920 -1.223 -8.473 1.00 0.00 H new ATOM 0 HE ARG A 50 -19.825 -2.793 -10.302 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -20.919 -4.668 -8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -19.865 -6.071 -8.310 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.496 -4.326 -10.200 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.942 -5.879 -9.486 1.00 0.00 H new ATOM 805 N GLY A 51 -18.961 -0.886 -4.367 1.00 0.00 N ATOM 806 CA GLY A 51 -20.200 -1.064 -3.547 1.00 0.00 C ATOM 807 C GLY A 51 -20.076 -0.255 -2.253 1.00 0.00 C ATOM 808 O GLY A 51 -21.067 0.212 -1.714 1.00 0.00 O ATOM 0 H GLY A 51 -18.579 0.060 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -21.073 -0.736 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -20.348 -2.119 -3.316 1.00 0.00 H new ATOM 812 N VAL A 52 -18.864 -0.090 -1.758 1.00 0.00 N ATOM 813 CA VAL A 52 -18.648 0.688 -0.497 1.00 0.00 C ATOM 814 C VAL A 52 -18.899 2.171 -0.772 1.00 0.00 C ATOM 815 O VAL A 52 -18.453 2.702 -1.777 1.00 0.00 O ATOM 816 CB VAL A 52 -17.208 0.499 -0.013 1.00 0.00 C ATOM 817 CG1 VAL A 52 -17.038 1.171 1.353 1.00 0.00 C ATOM 818 CG2 VAL A 52 -16.894 -1.000 0.109 1.00 0.00 C ATOM 0 H VAL A 52 -18.014 -0.465 -2.180 1.00 0.00 H new ATOM 0 HA VAL A 52 -19.335 0.333 0.271 1.00 0.00 H new ATOM 0 HB VAL A 52 -16.523 0.952 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -16.013 1.037 1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -17.255 2.235 1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -17.725 0.719 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -15.868 -1.130 0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -17.578 -1.458 0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -17.013 -1.477 -0.864 1.00 0.00 H new ATOM 828 N ILE A 53 -19.614 2.832 0.112 1.00 0.00 N ATOM 829 CA ILE A 53 -19.919 4.286 -0.071 1.00 0.00 C ATOM 830 C ILE A 53 -19.300 5.093 1.074 1.00 0.00 C ATOM 831 O ILE A 53 -18.755 6.163 0.857 1.00 0.00 O ATOM 832 CB ILE A 53 -21.436 4.489 -0.080 1.00 0.00 C ATOM 833 CG1 ILE A 53 -22.084 3.547 -1.110 1.00 0.00 C ATOM 834 CG2 ILE A 53 -21.756 5.942 -0.437 1.00 0.00 C ATOM 835 CD1 ILE A 53 -21.525 3.821 -2.514 1.00 0.00 C ATOM 0 H ILE A 53 -20.002 2.419 0.960 1.00 0.00 H new ATOM 0 HA ILE A 53 -19.499 4.627 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 53 -21.834 4.263 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -21.895 2.510 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -23.165 3.685 -1.109 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -22.836 6.086 -0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -21.306 6.606 0.301 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -21.354 6.171 -1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -21.994 3.146 -3.230 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -21.737 4.853 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -20.447 3.659 -2.515 1.00 0.00 H new ATOM 847 N PHE A 54 -19.381 4.581 2.283 1.00 0.00 N ATOM 848 CA PHE A 54 -18.802 5.299 3.465 1.00 0.00 C ATOM 849 C PHE A 54 -17.542 4.576 3.946 1.00 0.00 C ATOM 850 O PHE A 54 -17.221 3.497 3.477 1.00 0.00 O ATOM 851 CB PHE A 54 -19.829 5.353 4.604 1.00 0.00 C ATOM 852 CG PHE A 54 -20.413 3.980 4.843 1.00 0.00 C ATOM 853 CD1 PHE A 54 -19.780 3.088 5.718 1.00 0.00 C ATOM 854 CD2 PHE A 54 -21.593 3.600 4.191 1.00 0.00 C ATOM 855 CE1 PHE A 54 -20.325 1.817 5.937 1.00 0.00 C ATOM 856 CE2 PHE A 54 -22.138 2.330 4.410 1.00 0.00 C ATOM 857 CZ PHE A 54 -21.503 1.439 5.284 1.00 0.00 C ATOM 0 H PHE A 54 -19.827 3.690 2.501 1.00 0.00 H new ATOM 0 HA PHE A 54 -18.545 6.316 3.167 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -19.354 5.718 5.515 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -20.624 6.056 4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.872 3.381 6.224 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -22.083 4.288 3.518 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -19.836 1.128 6.610 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -23.047 2.037 3.906 1.00 0.00 H new ATOM 0 HZ PHE A 54 -21.923 0.459 5.454 1.00 0.00 H new ATOM 867 N SER A 55 -16.832 5.179 4.876 1.00 0.00 N ATOM 868 CA SER A 55 -15.579 4.566 5.414 1.00 0.00 C ATOM 869 C SER A 55 -15.911 3.264 6.146 1.00 0.00 C ATOM 870 O SER A 55 -16.743 3.241 7.037 1.00 0.00 O ATOM 871 CB SER A 55 -14.908 5.549 6.380 1.00 0.00 C ATOM 872 OG SER A 55 -13.541 5.697 6.024 1.00 0.00 O ATOM 0 H SER A 55 -17.074 6.081 5.287 1.00 0.00 H new ATOM 0 HA SER A 55 -14.900 4.346 4.590 1.00 0.00 H new ATOM 0 HB2 SER A 55 -15.412 6.515 6.343 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.992 5.185 7.404 1.00 0.00 H new ATOM 0 HG SER A 55 -13.461 6.349 5.297 1.00 0.00 H new ATOM 878 N ALA A 56 -15.251 2.191 5.771 1.00 0.00 N ATOM 879 CA ALA A 56 -15.484 0.865 6.424 1.00 0.00 C ATOM 880 C ALA A 56 -14.213 0.029 6.292 1.00 0.00 C ATOM 881 O ALA A 56 -13.470 0.191 5.342 1.00 0.00 O ATOM 882 CB ALA A 56 -16.647 0.148 5.735 1.00 0.00 C ATOM 0 H ALA A 56 -14.551 2.181 5.029 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.731 1.005 7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -16.814 -0.817 6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -17.549 0.755 5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -16.408 -0.005 4.683 1.00 0.00 H new ATOM 888 N ASP A 57 -13.960 -0.855 7.234 1.00 0.00 N ATOM 889 CA ASP A 57 -12.727 -1.700 7.172 1.00 0.00 C ATOM 890 C ASP A 57 -13.064 -3.045 6.532 1.00 0.00 C ATOM 891 O ASP A 57 -13.999 -3.716 6.939 1.00 0.00 O ATOM 892 CB ASP A 57 -12.186 -1.926 8.585 1.00 0.00 C ATOM 893 CG ASP A 57 -11.583 -0.625 9.114 1.00 0.00 C ATOM 894 OD1 ASP A 57 -12.329 0.173 9.658 1.00 0.00 O ATOM 895 OD2 ASP A 57 -10.385 -0.447 8.968 1.00 0.00 O ATOM 0 H ASP A 57 -14.558 -1.025 8.043 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.970 -1.192 6.574 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.987 -2.262 9.243 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.431 -2.712 8.575 1.00 0.00 H new ATOM 900 N VAL A 58 -12.308 -3.427 5.524 1.00 0.00 N ATOM 901 CA VAL A 58 -12.556 -4.720 4.820 1.00 0.00 C ATOM 902 C VAL A 58 -11.262 -5.538 4.779 1.00 0.00 C ATOM 903 O VAL A 58 -10.174 -4.987 4.789 1.00 0.00 O ATOM 904 CB VAL A 58 -13.042 -4.428 3.390 1.00 0.00 C ATOM 905 CG1 VAL A 58 -11.959 -3.675 2.606 1.00 0.00 C ATOM 906 CG2 VAL A 58 -13.360 -5.744 2.677 1.00 0.00 C ATOM 0 H VAL A 58 -11.523 -2.888 5.160 1.00 0.00 H new ATOM 0 HA VAL A 58 -13.317 -5.291 5.351 1.00 0.00 H new ATOM 0 HB VAL A 58 -13.939 -3.812 3.442 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -12.315 -3.474 1.595 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.736 -2.733 3.106 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -11.055 -4.283 2.558 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -13.704 -5.535 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -12.463 -6.361 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -14.140 -6.274 3.223 1.00 0.00 H new ATOM 916 N LEU A 59 -11.388 -6.845 4.720 1.00 0.00 N ATOM 917 CA LEU A 59 -10.186 -7.732 4.662 1.00 0.00 C ATOM 918 C LEU A 59 -10.205 -8.500 3.339 1.00 0.00 C ATOM 919 O LEU A 59 -11.232 -9.022 2.938 1.00 0.00 O ATOM 920 CB LEU A 59 -10.220 -8.719 5.828 1.00 0.00 C ATOM 921 CG LEU A 59 -9.602 -8.068 7.066 1.00 0.00 C ATOM 922 CD1 LEU A 59 -10.011 -8.855 8.312 1.00 0.00 C ATOM 923 CD2 LEU A 59 -8.077 -8.072 6.937 1.00 0.00 C ATOM 0 H LEU A 59 -12.282 -7.336 4.710 1.00 0.00 H new ATOM 0 HA LEU A 59 -9.279 -7.132 4.730 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.248 -9.017 6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -9.671 -9.624 5.568 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.956 -7.041 7.152 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.571 -8.392 9.195 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -11.097 -8.852 8.404 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -9.657 -9.882 8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.636 -7.608 7.819 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.722 -9.099 6.851 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.786 -7.512 6.049 1.00 0.00 H new ATOM 935 N SER A 60 -9.075 -8.562 2.663 1.00 0.00 N ATOM 936 CA SER A 60 -8.995 -9.288 1.351 1.00 0.00 C ATOM 937 C SER A 60 -9.477 -10.732 1.524 1.00 0.00 C ATOM 938 O SER A 60 -9.156 -11.383 2.505 1.00 0.00 O ATOM 939 CB SER A 60 -7.548 -9.296 0.864 1.00 0.00 C ATOM 940 OG SER A 60 -6.699 -9.703 1.928 1.00 0.00 O ATOM 0 H SER A 60 -8.200 -8.137 2.968 1.00 0.00 H new ATOM 0 HA SER A 60 -9.628 -8.781 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.440 -9.974 0.017 1.00 0.00 H new ATOM 0 HB3 SER A 60 -7.264 -8.303 0.515 1.00 0.00 H new ATOM 0 HG SER A 60 -6.456 -10.645 1.811 1.00 0.00 H new ATOM 946 N ASN A 61 -10.242 -11.226 0.572 1.00 0.00 N ATOM 947 CA ASN A 61 -10.760 -12.629 0.649 1.00 0.00 C ATOM 948 C ASN A 61 -9.618 -13.606 0.366 1.00 0.00 C ATOM 949 O ASN A 61 -9.585 -14.702 0.902 1.00 0.00 O ATOM 950 CB ASN A 61 -11.873 -12.823 -0.384 1.00 0.00 C ATOM 951 CG ASN A 61 -13.186 -12.267 0.172 1.00 0.00 C ATOM 952 OD1 ASN A 61 -13.752 -12.821 1.094 1.00 0.00 O ATOM 953 ND2 ASN A 61 -13.700 -11.189 -0.355 1.00 0.00 N ATOM 0 H ASN A 61 -10.530 -10.710 -0.260 1.00 0.00 H new ATOM 0 HA ASN A 61 -11.160 -12.816 1.646 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.615 -12.315 -1.313 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.985 -13.881 -0.620 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -14.576 -10.812 0.007 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.226 -10.724 -1.129 1.00 0.00 H new ATOM 960 N SER A 62 -8.683 -13.205 -0.471 1.00 0.00 N ATOM 961 CA SER A 62 -7.519 -14.082 -0.810 1.00 0.00 C ATOM 962 C SER A 62 -6.215 -13.343 -0.492 1.00 0.00 C ATOM 963 O SER A 62 -6.225 -12.160 -0.187 1.00 0.00 O ATOM 964 CB SER A 62 -7.559 -14.435 -2.296 1.00 0.00 C ATOM 965 OG SER A 62 -7.746 -13.248 -3.056 1.00 0.00 O ATOM 0 H SER A 62 -8.681 -12.297 -0.936 1.00 0.00 H new ATOM 0 HA SER A 62 -7.570 -14.998 -0.221 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.631 -14.926 -2.590 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.368 -15.138 -2.493 1.00 0.00 H new ATOM 0 HG SER A 62 -7.770 -13.471 -4.010 1.00 0.00 H new ATOM 971 N GLU A 63 -5.100 -14.041 -0.560 1.00 0.00 N ATOM 972 CA GLU A 63 -3.774 -13.411 -0.262 1.00 0.00 C ATOM 973 C GLU A 63 -3.102 -12.983 -1.566 1.00 0.00 C ATOM 974 O GLU A 63 -3.121 -13.708 -2.547 1.00 0.00 O ATOM 975 CB GLU A 63 -2.874 -14.422 0.455 1.00 0.00 C ATOM 976 CG GLU A 63 -3.589 -14.979 1.689 1.00 0.00 C ATOM 977 CD GLU A 63 -3.133 -16.419 1.933 1.00 0.00 C ATOM 978 OE1 GLU A 63 -3.597 -17.295 1.223 1.00 0.00 O ATOM 979 OE2 GLU A 63 -2.326 -16.619 2.826 1.00 0.00 O ATOM 0 H GLU A 63 -5.055 -15.028 -0.812 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.929 -12.539 0.374 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.615 -15.235 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.940 -13.944 0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.367 -14.363 2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.669 -14.947 1.543 1.00 0.00 H new ATOM 986 N PHE A 64 -2.497 -11.814 -1.566 1.00 0.00 N ATOM 987 CA PHE A 64 -1.791 -11.307 -2.791 1.00 0.00 C ATOM 988 C PHE A 64 -0.302 -11.175 -2.476 1.00 0.00 C ATOM 989 O PHE A 64 0.095 -11.173 -1.320 1.00 0.00 O ATOM 990 CB PHE A 64 -2.316 -9.919 -3.221 1.00 0.00 C ATOM 991 CG PHE A 64 -3.773 -9.734 -2.845 1.00 0.00 C ATOM 992 CD1 PHE A 64 -4.729 -10.667 -3.262 1.00 0.00 C ATOM 993 CD2 PHE A 64 -4.163 -8.626 -2.081 1.00 0.00 C ATOM 994 CE1 PHE A 64 -6.075 -10.494 -2.917 1.00 0.00 C ATOM 995 CE2 PHE A 64 -5.510 -8.453 -1.736 1.00 0.00 C ATOM 996 CZ PHE A 64 -6.465 -9.386 -2.154 1.00 0.00 C ATOM 0 H PHE A 64 -2.462 -11.185 -0.763 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.971 -12.013 -3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.716 -9.140 -2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.200 -9.803 -4.299 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.428 -11.521 -3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.426 -7.906 -1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.812 -11.215 -3.239 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -5.811 -7.599 -1.147 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.503 -9.252 -1.888 1.00 0.00 H new ATOM 1006 N TYR A 65 0.511 -11.035 -3.499 1.00 0.00 N ATOM 1007 CA TYR A 65 1.981 -10.865 -3.293 1.00 0.00 C ATOM 1008 C TYR A 65 2.210 -9.448 -2.772 1.00 0.00 C ATOM 1009 O TYR A 65 1.461 -8.543 -3.109 1.00 0.00 O ATOM 1010 CB TYR A 65 2.716 -11.071 -4.620 1.00 0.00 C ATOM 1011 CG TYR A 65 2.660 -12.533 -5.000 1.00 0.00 C ATOM 1012 CD1 TYR A 65 3.112 -13.509 -4.101 1.00 0.00 C ATOM 1013 CD2 TYR A 65 2.151 -12.914 -6.246 1.00 0.00 C ATOM 1014 CE1 TYR A 65 3.057 -14.863 -4.452 1.00 0.00 C ATOM 1015 CE2 TYR A 65 2.096 -14.269 -6.597 1.00 0.00 C ATOM 1016 CZ TYR A 65 2.548 -15.242 -5.699 1.00 0.00 C ATOM 1017 OH TYR A 65 2.492 -16.578 -6.045 1.00 0.00 O ATOM 0 H TYR A 65 0.213 -11.032 -4.474 1.00 0.00 H new ATOM 0 HA TYR A 65 2.361 -11.596 -2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 65 2.259 -10.463 -5.400 1.00 0.00 H new ATOM 0 HB3 TYR A 65 3.753 -10.746 -4.529 1.00 0.00 H new ATOM 0 HD1 TYR A 65 3.503 -13.216 -3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.800 -12.163 -6.938 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.407 -15.615 -3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 65 1.705 -14.562 -7.560 1.00 0.00 H new ATOM 0 HH TYR A 65 2.111 -16.668 -6.944 1.00 0.00 H new ATOM 1027 N LEU A 66 3.205 -9.252 -1.932 1.00 0.00 N ATOM 1028 CA LEU A 66 3.446 -7.890 -1.356 1.00 0.00 C ATOM 1029 C LEU A 66 4.916 -7.487 -1.480 1.00 0.00 C ATOM 1030 O LEU A 66 5.801 -8.173 -0.995 1.00 0.00 O ATOM 1031 CB LEU A 66 3.061 -7.880 0.131 1.00 0.00 C ATOM 1032 CG LEU A 66 1.707 -8.568 0.344 1.00 0.00 C ATOM 1033 CD1 LEU A 66 1.500 -8.825 1.838 1.00 0.00 C ATOM 1034 CD2 LEU A 66 0.587 -7.666 -0.176 1.00 0.00 C ATOM 0 H LEU A 66 3.856 -9.974 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 66 2.835 -7.180 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.829 -8.388 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 66 3.014 -6.853 0.493 1.00 0.00 H new ATOM 0 HG LEU A 66 1.691 -9.514 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.538 -9.314 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.298 -9.467 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.516 -7.877 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.375 -8.156 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.602 -6.720 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.735 -7.479 -1.240 1.00 0.00 H new ATOM 1046 N ALA A 67 5.158 -6.348 -2.090 1.00 0.00 N ATOM 1047 CA ALA A 67 6.545 -5.812 -2.230 1.00 0.00 C ATOM 1048 C ALA A 67 6.669 -4.652 -1.247 1.00 0.00 C ATOM 1049 O ALA A 67 6.115 -3.588 -1.475 1.00 0.00 O ATOM 1050 CB ALA A 67 6.767 -5.309 -3.659 1.00 0.00 C ATOM 0 H ALA A 67 4.435 -5.759 -2.503 1.00 0.00 H new ATOM 0 HA ALA A 67 7.287 -6.583 -2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.781 -4.919 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.627 -6.132 -4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.052 -4.517 -3.881 1.00 0.00 H new ATOM 1056 N GLU A 68 7.350 -4.863 -0.140 1.00 0.00 N ATOM 1057 CA GLU A 68 7.467 -3.786 0.895 1.00 0.00 C ATOM 1058 C GLU A 68 8.859 -3.163 0.906 1.00 0.00 C ATOM 1059 O GLU A 68 9.834 -3.761 0.482 1.00 0.00 O ATOM 1060 CB GLU A 68 7.157 -4.344 2.292 1.00 0.00 C ATOM 1061 CG GLU A 68 7.811 -5.719 2.484 1.00 0.00 C ATOM 1062 CD GLU A 68 7.969 -6.007 3.978 1.00 0.00 C ATOM 1063 OE1 GLU A 68 6.978 -6.346 4.605 1.00 0.00 O ATOM 1064 OE2 GLU A 68 9.079 -5.887 4.469 1.00 0.00 O ATOM 0 H GLU A 68 7.828 -5.734 0.089 1.00 0.00 H new ATOM 0 HA GLU A 68 6.742 -3.014 0.636 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.520 -3.654 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.078 -4.427 2.425 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.201 -6.492 2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.784 -5.742 1.994 1.00 0.00 H new ATOM 1071 N CYS A 69 8.927 -1.959 1.416 1.00 0.00 N ATOM 1072 CA CYS A 69 10.211 -1.213 1.519 1.00 0.00 C ATOM 1073 C CYS A 69 10.458 -0.924 3.004 1.00 0.00 C ATOM 1074 O CYS A 69 9.640 -0.291 3.651 1.00 0.00 O ATOM 1075 CB CYS A 69 10.084 0.105 0.747 1.00 0.00 C ATOM 1076 SG CYS A 69 9.797 -0.232 -1.010 1.00 0.00 S ATOM 0 H CYS A 69 8.119 -1.450 1.775 1.00 0.00 H new ATOM 0 HA CYS A 69 11.037 -1.789 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 69 9.262 0.695 1.152 1.00 0.00 H new ATOM 0 HB3 CYS A 69 10.991 0.696 0.869 1.00 0.00 H new ATOM 1081 N ASN A 70 11.559 -1.406 3.548 1.00 0.00 N ATOM 1082 CA ASN A 70 11.854 -1.186 5.004 1.00 0.00 C ATOM 1083 C ASN A 70 13.124 -0.353 5.174 1.00 0.00 C ATOM 1084 O ASN A 70 14.213 -0.803 4.852 1.00 0.00 O ATOM 1085 CB ASN A 70 12.045 -2.541 5.691 1.00 0.00 C ATOM 1086 CG ASN A 70 10.709 -3.019 6.263 1.00 0.00 C ATOM 1087 OD1 ASN A 70 9.921 -3.623 5.565 1.00 0.00 O ATOM 1088 ND2 ASN A 70 10.421 -2.771 7.511 1.00 0.00 N ATOM 0 H ASN A 70 12.265 -1.942 3.044 1.00 0.00 H new ATOM 0 HA ASN A 70 11.018 -0.651 5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 70 12.429 -3.271 4.978 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.784 -2.455 6.488 1.00 0.00 H new ATOM 0 HD21 ASN A 70 9.532 -3.085 7.901 1.00 0.00 H new ATOM 0 HD22 ASN A 70 11.084 -2.263 8.096 1.00 0.00 H new ATOM 1095 N VAL A 71 12.984 0.852 5.688 1.00 0.00 N ATOM 1096 CA VAL A 71 14.168 1.740 5.910 1.00 0.00 C ATOM 1097 C VAL A 71 14.968 1.183 7.091 1.00 0.00 C ATOM 1098 O VAL A 71 14.558 1.310 8.234 1.00 0.00 O ATOM 1099 CB VAL A 71 13.690 3.171 6.221 1.00 0.00 C ATOM 1100 CG1 VAL A 71 14.877 4.063 6.607 1.00 0.00 C ATOM 1101 CG2 VAL A 71 13.014 3.762 4.981 1.00 0.00 C ATOM 0 H VAL A 71 12.090 1.258 5.964 1.00 0.00 H new ATOM 0 HA VAL A 71 14.794 1.770 5.018 1.00 0.00 H new ATOM 0 HB VAL A 71 12.987 3.129 7.053 1.00 0.00 H new ATOM 0 HG11 VAL A 71 14.520 5.070 6.823 1.00 0.00 H new ATOM 0 HG12 VAL A 71 15.367 3.654 7.491 1.00 0.00 H new ATOM 0 HG13 VAL A 71 15.588 4.099 5.782 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.675 4.775 5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 71 13.726 3.787 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 71 12.159 3.145 4.704 1.00 0.00 H new ATOM 1111 N LYS A 72 16.097 0.565 6.816 1.00 0.00 N ATOM 1112 CA LYS A 72 16.938 -0.013 7.911 1.00 0.00 C ATOM 1113 C LYS A 72 17.480 1.129 8.790 1.00 0.00 C ATOM 1114 O LYS A 72 17.702 2.217 8.289 1.00 0.00 O ATOM 1115 CB LYS A 72 18.105 -0.796 7.305 1.00 0.00 C ATOM 1116 CG LYS A 72 17.585 -2.109 6.710 1.00 0.00 C ATOM 1117 CD LYS A 72 18.606 -3.223 6.951 1.00 0.00 C ATOM 1118 CE LYS A 72 18.561 -3.647 8.421 1.00 0.00 C ATOM 1119 NZ LYS A 72 17.398 -4.552 8.641 1.00 0.00 N ATOM 0 H LYS A 72 16.471 0.437 5.875 1.00 0.00 H new ATOM 0 HA LYS A 72 16.334 -0.686 8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 72 18.593 -0.202 6.532 1.00 0.00 H new ATOM 0 HB3 LYS A 72 18.854 -1.002 8.069 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.630 -2.373 7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.407 -1.990 5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.388 -4.076 6.309 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.606 -2.876 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.487 -4.154 8.693 1.00 0.00 H new ATOM 0 HE3 LYS A 72 18.479 -2.769 9.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.479 -5.000 9.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.517 -4.002 8.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.386 -5.287 7.905 1.00 0.00 H new ATOM 1133 N PRO A 73 17.678 0.861 10.078 1.00 0.00 N ATOM 1134 CA PRO A 73 18.191 1.875 11.023 1.00 0.00 C ATOM 1135 C PRO A 73 19.708 2.015 10.872 1.00 0.00 C ATOM 1136 O PRO A 73 20.369 1.126 10.362 1.00 0.00 O ATOM 1137 CB PRO A 73 17.830 1.308 12.399 1.00 0.00 C ATOM 1138 CG PRO A 73 17.660 -0.217 12.213 1.00 0.00 C ATOM 1139 CD PRO A 73 17.417 -0.458 10.713 1.00 0.00 C ATOM 0 HA PRO A 73 17.771 2.867 10.858 1.00 0.00 H new ATOM 0 HB2 PRO A 73 18.613 1.526 13.126 1.00 0.00 H new ATOM 0 HB3 PRO A 73 16.911 1.758 12.775 1.00 0.00 H new ATOM 0 HG2 PRO A 73 18.549 -0.749 12.551 1.00 0.00 H new ATOM 0 HG3 PRO A 73 16.823 -0.588 12.805 1.00 0.00 H new ATOM 0 HD2 PRO A 73 18.084 -1.226 10.321 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.397 -0.794 10.525 1.00 0.00 H new ATOM 1147 N ARG A 74 20.253 3.133 11.308 1.00 0.00 N ATOM 1148 CA ARG A 74 21.728 3.373 11.200 1.00 0.00 C ATOM 1149 C ARG A 74 22.124 3.433 9.717 1.00 0.00 C ATOM 1150 O ARG A 74 23.255 3.146 9.354 1.00 0.00 O ATOM 1151 CB ARG A 74 22.489 2.239 11.910 1.00 0.00 C ATOM 1152 CG ARG A 74 23.124 2.769 13.199 1.00 0.00 C ATOM 1153 CD ARG A 74 23.914 1.649 13.879 1.00 0.00 C ATOM 1154 NE ARG A 74 23.846 1.819 15.358 1.00 0.00 N ATOM 1155 CZ ARG A 74 24.942 1.835 16.064 1.00 0.00 C ATOM 1156 NH1 ARG A 74 25.759 0.819 16.022 1.00 0.00 N ATOM 1157 NH2 ARG A 74 25.221 2.866 16.812 1.00 0.00 N ATOM 0 H ARG A 74 19.729 3.895 11.738 1.00 0.00 H new ATOM 0 HA ARG A 74 21.984 4.319 11.677 1.00 0.00 H new ATOM 0 HB2 ARG A 74 21.808 1.419 12.139 1.00 0.00 H new ATOM 0 HB3 ARG A 74 23.260 1.838 11.252 1.00 0.00 H new ATOM 0 HG2 ARG A 74 23.783 3.608 12.974 1.00 0.00 H new ATOM 0 HG3 ARG A 74 22.351 3.142 13.871 1.00 0.00 H new ATOM 0 HD2 ARG A 74 23.507 0.678 13.595 1.00 0.00 H new ATOM 0 HD3 ARG A 74 24.952 1.669 13.547 1.00 0.00 H new ATOM 0 HE ARG A 74 22.942 1.923 15.818 1.00 0.00 H new ATOM 0 HH11 ARG A 74 25.540 0.013 15.437 1.00 0.00 H new ATOM 0 HH12 ARG A 74 26.617 0.831 16.574 1.00 0.00 H new ATOM 0 HH21 ARG A 74 24.582 3.660 16.845 1.00 0.00 H new ATOM 0 HH22 ARG A 74 26.078 2.878 17.364 1.00 0.00 H new ATOM 1171 N LYS A 75 21.194 3.819 8.866 1.00 0.00 N ATOM 1172 CA LYS A 75 21.479 3.924 7.401 1.00 0.00 C ATOM 1173 C LYS A 75 20.980 5.290 6.895 1.00 0.00 C ATOM 1174 O LYS A 75 19.998 5.795 7.410 1.00 0.00 O ATOM 1175 CB LYS A 75 20.755 2.799 6.655 1.00 0.00 C ATOM 1176 CG LYS A 75 21.435 1.456 6.954 1.00 0.00 C ATOM 1177 CD LYS A 75 22.390 1.084 5.809 1.00 0.00 C ATOM 1178 CE LYS A 75 22.089 -0.335 5.317 1.00 0.00 C ATOM 1179 NZ LYS A 75 23.042 -0.697 4.231 1.00 0.00 N ATOM 0 H LYS A 75 20.241 4.067 9.132 1.00 0.00 H new ATOM 0 HA LYS A 75 22.551 3.834 7.223 1.00 0.00 H new ATOM 0 HB2 LYS A 75 19.709 2.763 6.959 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.769 2.993 5.583 1.00 0.00 H new ATOM 0 HG2 LYS A 75 21.986 1.519 7.892 1.00 0.00 H new ATOM 0 HG3 LYS A 75 20.682 0.678 7.078 1.00 0.00 H new ATOM 0 HD2 LYS A 75 22.281 1.793 4.988 1.00 0.00 H new ATOM 0 HD3 LYS A 75 23.423 1.148 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 75 22.175 -1.043 6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 75 21.064 -0.395 4.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 22.838 -1.660 3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.939 -0.028 3.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 24.015 -0.656 4.595 1.00 0.00 H new ATOM 1193 N PRO A 76 21.665 5.864 5.909 1.00 0.00 N ATOM 1194 CA PRO A 76 21.285 7.179 5.349 1.00 0.00 C ATOM 1195 C PRO A 76 20.079 7.036 4.402 1.00 0.00 C ATOM 1196 O PRO A 76 20.203 7.137 3.189 1.00 0.00 O ATOM 1197 CB PRO A 76 22.548 7.633 4.603 1.00 0.00 C ATOM 1198 CG PRO A 76 23.356 6.353 4.289 1.00 0.00 C ATOM 1199 CD PRO A 76 22.863 5.268 5.261 1.00 0.00 C ATOM 0 HA PRO A 76 20.974 7.899 6.106 1.00 0.00 H new ATOM 0 HB2 PRO A 76 22.288 8.162 3.686 1.00 0.00 H new ATOM 0 HB3 PRO A 76 23.133 8.321 5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 76 23.204 6.044 3.255 1.00 0.00 H new ATOM 0 HG3 PRO A 76 24.424 6.529 4.415 1.00 0.00 H new ATOM 0 HD2 PRO A 76 22.612 4.347 4.734 1.00 0.00 H new ATOM 0 HD3 PRO A 76 23.628 5.016 5.996 1.00 0.00 H new ATOM 1207 N CYS A 77 18.911 6.803 4.967 1.00 0.00 N ATOM 1208 CA CYS A 77 17.666 6.648 4.146 1.00 0.00 C ATOM 1209 C CYS A 77 17.853 5.507 3.125 1.00 0.00 C ATOM 1210 O CYS A 77 17.630 5.669 1.932 1.00 0.00 O ATOM 1211 CB CYS A 77 17.358 7.975 3.433 1.00 0.00 C ATOM 1212 SG CYS A 77 16.246 8.972 4.459 1.00 0.00 S ATOM 0 H CYS A 77 18.770 6.713 5.973 1.00 0.00 H new ATOM 0 HA CYS A 77 16.826 6.394 4.792 1.00 0.00 H new ATOM 0 HB2 CYS A 77 18.282 8.521 3.244 1.00 0.00 H new ATOM 0 HB3 CYS A 77 16.899 7.781 2.464 1.00 0.00 H new ATOM 1217 N LYS A 78 18.256 4.347 3.602 1.00 0.00 N ATOM 1218 CA LYS A 78 18.460 3.169 2.701 1.00 0.00 C ATOM 1219 C LYS A 78 17.275 2.212 2.855 1.00 0.00 C ATOM 1220 O LYS A 78 16.931 1.812 3.959 1.00 0.00 O ATOM 1221 CB LYS A 78 19.763 2.456 3.072 1.00 0.00 C ATOM 1222 CG LYS A 78 20.917 3.467 3.090 1.00 0.00 C ATOM 1223 CD LYS A 78 21.130 4.047 1.687 1.00 0.00 C ATOM 1224 CE LYS A 78 21.554 2.931 0.729 1.00 0.00 C ATOM 1225 NZ LYS A 78 22.302 3.515 -0.420 1.00 0.00 N ATOM 0 H LYS A 78 18.453 4.169 4.587 1.00 0.00 H new ATOM 0 HA LYS A 78 18.525 3.502 1.665 1.00 0.00 H new ATOM 0 HB2 LYS A 78 19.665 1.984 4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.972 1.663 2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 78 20.697 4.269 3.794 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.830 2.982 3.434 1.00 0.00 H new ATOM 0 HD2 LYS A 78 20.211 4.515 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 78 21.893 4.825 1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 78 22.179 2.207 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 78 20.676 2.394 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 22.589 2.755 -1.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 21.692 4.190 -0.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 23.148 4.008 -0.069 1.00 0.00 H new ATOM 1239 N TYR A 79 16.640 1.865 1.754 1.00 0.00 N ATOM 1240 CA TYR A 79 15.454 0.954 1.798 1.00 0.00 C ATOM 1241 C TYR A 79 15.868 -0.480 1.454 1.00 0.00 C ATOM 1242 O TYR A 79 16.818 -0.702 0.722 1.00 0.00 O ATOM 1243 CB TYR A 79 14.414 1.439 0.775 1.00 0.00 C ATOM 1244 CG TYR A 79 13.222 2.052 1.477 1.00 0.00 C ATOM 1245 CD1 TYR A 79 12.603 1.383 2.537 1.00 0.00 C ATOM 1246 CD2 TYR A 79 12.731 3.287 1.051 1.00 0.00 C ATOM 1247 CE1 TYR A 79 11.491 1.950 3.172 1.00 0.00 C ATOM 1248 CE2 TYR A 79 11.621 3.859 1.685 1.00 0.00 C ATOM 1249 CZ TYR A 79 11.001 3.189 2.745 1.00 0.00 C ATOM 1250 OH TYR A 79 9.907 3.750 3.370 1.00 0.00 O ATOM 0 H TYR A 79 16.899 2.180 0.819 1.00 0.00 H new ATOM 0 HA TYR A 79 15.032 0.967 2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.867 2.173 0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 79 14.088 0.603 0.156 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.983 0.427 2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 79 13.208 3.803 0.231 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.013 1.432 3.990 1.00 0.00 H new ATOM 0 HE2 TYR A 79 11.244 4.816 1.356 1.00 0.00 H new ATOM 0 HH TYR A 79 9.697 4.611 2.952 1.00 0.00 H new ATOM 1260 N LYS A 80 15.133 -1.442 1.970 1.00 0.00 N ATOM 1261 CA LYS A 80 15.423 -2.880 1.688 1.00 0.00 C ATOM 1262 C LYS A 80 14.175 -3.517 1.069 1.00 0.00 C ATOM 1263 O LYS A 80 13.085 -3.392 1.606 1.00 0.00 O ATOM 1264 CB LYS A 80 15.777 -3.599 2.997 1.00 0.00 C ATOM 1265 CG LYS A 80 17.303 -3.675 3.155 1.00 0.00 C ATOM 1266 CD LYS A 80 17.717 -5.105 3.513 1.00 0.00 C ATOM 1267 CE LYS A 80 19.240 -5.230 3.444 1.00 0.00 C ATOM 1268 NZ LYS A 80 19.661 -5.362 2.020 1.00 0.00 N ATOM 0 H LYS A 80 14.333 -1.284 2.583 1.00 0.00 H new ATOM 0 HA LYS A 80 16.264 -2.965 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 80 15.341 -3.068 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.352 -4.603 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 80 17.789 -3.367 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 80 17.632 -2.986 3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 80 17.366 -5.356 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 80 17.252 -5.812 2.826 1.00 0.00 H new ATOM 0 HE2 LYS A 80 19.709 -4.355 3.894 1.00 0.00 H new ATOM 0 HE3 LYS A 80 19.571 -6.098 4.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 20.660 -5.649 1.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 19.075 -6.081 1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.543 -4.449 1.537 1.00 0.00 H new ATOM 1282 N LEU A 81 14.327 -4.183 -0.058 1.00 0.00 N ATOM 1283 CA LEU A 81 13.155 -4.824 -0.741 1.00 0.00 C ATOM 1284 C LEU A 81 12.790 -6.130 -0.030 1.00 0.00 C ATOM 1285 O LEU A 81 13.654 -6.927 0.296 1.00 0.00 O ATOM 1286 CB LEU A 81 13.510 -5.123 -2.201 1.00 0.00 C ATOM 1287 CG LEU A 81 12.281 -4.899 -3.083 1.00 0.00 C ATOM 1288 CD1 LEU A 81 12.724 -4.597 -4.515 1.00 0.00 C ATOM 1289 CD2 LEU A 81 11.411 -6.160 -3.080 1.00 0.00 C ATOM 0 H LEU A 81 15.220 -4.309 -0.535 1.00 0.00 H new ATOM 0 HA LEU A 81 12.305 -4.143 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.326 -4.479 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.858 -6.152 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 81 11.708 -4.058 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.846 -4.438 -5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.343 -3.700 -4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.299 -5.438 -4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.535 -5.999 -3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.987 -7.000 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.091 -6.379 -2.061 1.00 0.00 H new ATOM 1301 N LYS A 82 11.510 -6.343 0.203 1.00 0.00 N ATOM 1302 CA LYS A 82 11.045 -7.588 0.889 1.00 0.00 C ATOM 1303 C LYS A 82 9.751 -8.071 0.227 1.00 0.00 C ATOM 1304 O LYS A 82 8.853 -7.284 -0.028 1.00 0.00 O ATOM 1305 CB LYS A 82 10.786 -7.285 2.368 1.00 0.00 C ATOM 1306 CG LYS A 82 11.968 -7.775 3.210 1.00 0.00 C ATOM 1307 CD LYS A 82 11.487 -8.115 4.628 1.00 0.00 C ATOM 1308 CE LYS A 82 11.382 -9.635 4.797 1.00 0.00 C ATOM 1309 NZ LYS A 82 10.063 -9.972 5.406 1.00 0.00 N ATOM 0 H LYS A 82 10.765 -5.697 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 82 11.807 -8.363 0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.645 -6.214 2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.868 -7.773 2.694 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.417 -8.654 2.747 1.00 0.00 H new ATOM 0 HG3 LYS A 82 12.740 -7.007 3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 82 12.180 -7.706 5.363 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.517 -7.653 4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.486 -10.128 3.831 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.192 -9.999 5.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.988 -11.003 5.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.982 -9.512 6.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 9.298 -9.637 4.786 1.00 0.00 H new ATOM 1323 N LYS A 83 9.658 -9.356 -0.050 1.00 0.00 N ATOM 1324 CA LYS A 83 8.430 -9.919 -0.701 1.00 0.00 C ATOM 1325 C LYS A 83 7.609 -10.693 0.334 1.00 0.00 C ATOM 1326 O LYS A 83 8.140 -11.163 1.327 1.00 0.00 O ATOM 1327 CB LYS A 83 8.840 -10.862 -1.836 1.00 0.00 C ATOM 1328 CG LYS A 83 9.803 -11.922 -1.298 1.00 0.00 C ATOM 1329 CD LYS A 83 9.896 -13.085 -2.292 1.00 0.00 C ATOM 1330 CE LYS A 83 11.148 -12.930 -3.164 1.00 0.00 C ATOM 1331 NZ LYS A 83 12.051 -14.095 -2.940 1.00 0.00 N ATOM 0 H LYS A 83 10.387 -10.041 0.150 1.00 0.00 H new ATOM 0 HA LYS A 83 7.829 -9.104 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.958 -11.340 -2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.315 -10.297 -2.638 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.789 -11.485 -1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.457 -12.285 -0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.932 -14.032 -1.754 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.006 -13.109 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.868 -12.869 -4.216 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.664 -12.002 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.902 -13.993 -3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.327 -14.133 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.555 -14.973 -3.196 1.00 0.00 H new ATOM 1345 N SER A 84 6.319 -10.823 0.097 1.00 0.00 N ATOM 1346 CA SER A 84 5.427 -11.563 1.049 1.00 0.00 C ATOM 1347 C SER A 84 4.139 -11.979 0.338 1.00 0.00 C ATOM 1348 O SER A 84 3.940 -11.685 -0.829 1.00 0.00 O ATOM 1349 CB SER A 84 5.086 -10.658 2.233 1.00 0.00 C ATOM 1350 OG SER A 84 6.240 -10.502 3.050 1.00 0.00 O ATOM 0 H SER A 84 5.845 -10.444 -0.723 1.00 0.00 H new ATOM 0 HA SER A 84 5.943 -12.454 1.406 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.744 -9.686 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.271 -11.090 2.813 1.00 0.00 H new ATOM 0 HG SER A 84 6.967 -11.058 2.699 1.00 0.00 H new ATOM 1356 N SER A 85 3.270 -12.663 1.048 1.00 0.00 N ATOM 1357 CA SER A 85 1.972 -13.125 0.463 1.00 0.00 C ATOM 1358 C SER A 85 0.960 -13.309 1.592 1.00 0.00 C ATOM 1359 O SER A 85 1.087 -14.218 2.399 1.00 0.00 O ATOM 1360 CB SER A 85 2.181 -14.457 -0.261 1.00 0.00 C ATOM 1361 OG SER A 85 1.190 -14.604 -1.271 1.00 0.00 O ATOM 0 H SER A 85 3.410 -12.924 2.024 1.00 0.00 H new ATOM 0 HA SER A 85 1.603 -12.386 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.176 -14.491 -0.704 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.120 -15.283 0.448 1.00 0.00 H new ATOM 0 HG SER A 85 1.558 -14.321 -2.134 1.00 0.00 H new ATOM 1367 N ASN A 86 -0.032 -12.444 1.660 1.00 0.00 N ATOM 1368 CA ASN A 86 -1.059 -12.545 2.748 1.00 0.00 C ATOM 1369 C ASN A 86 -2.206 -11.573 2.484 1.00 0.00 C ATOM 1370 O ASN A 86 -2.221 -10.867 1.490 1.00 0.00 O ATOM 1371 CB ASN A 86 -0.410 -12.213 4.097 1.00 0.00 C ATOM 1372 CG ASN A 86 0.369 -10.899 3.991 1.00 0.00 C ATOM 1373 OD1 ASN A 86 1.561 -10.903 3.754 1.00 0.00 O ATOM 1374 ND2 ASN A 86 -0.257 -9.767 4.159 1.00 0.00 N ATOM 0 H ASN A 86 -0.172 -11.673 1.007 1.00 0.00 H new ATOM 0 HA ASN A 86 -1.453 -13.561 2.769 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -1.176 -12.131 4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 86 0.259 -13.019 4.397 1.00 0.00 H new ATOM 0 HD21 ASN A 86 0.254 -8.887 4.091 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.257 -9.762 4.358 1.00 0.00 H new ATOM 1381 N ARG A 87 -3.166 -11.549 3.381 1.00 0.00 N ATOM 1382 CA ARG A 87 -4.348 -10.644 3.238 1.00 0.00 C ATOM 1383 C ARG A 87 -3.996 -9.247 3.756 1.00 0.00 C ATOM 1384 O ARG A 87 -2.882 -9.004 4.190 1.00 0.00 O ATOM 1385 CB ARG A 87 -5.512 -11.214 4.048 1.00 0.00 C ATOM 1386 CG ARG A 87 -5.933 -12.564 3.457 1.00 0.00 C ATOM 1387 CD ARG A 87 -6.244 -13.547 4.588 1.00 0.00 C ATOM 1388 NE ARG A 87 -7.667 -13.392 5.000 1.00 0.00 N ATOM 1389 CZ ARG A 87 -8.531 -14.329 4.721 1.00 0.00 C ATOM 1390 NH1 ARG A 87 -8.330 -15.548 5.142 1.00 0.00 N ATOM 1391 NH2 ARG A 87 -9.594 -14.047 4.018 1.00 0.00 N ATOM 0 H ARG A 87 -3.178 -12.130 4.220 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.630 -10.573 2.188 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.218 -11.337 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.353 -10.521 4.034 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -6.809 -12.436 2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.137 -12.960 2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.059 -14.569 4.258 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.586 -13.362 5.437 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.966 -12.554 5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.498 -15.768 5.689 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.005 -16.281 4.924 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.749 -13.095 3.687 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.270 -14.779 3.799 1.00 0.00 H new ATOM 1405 N ILE A 88 -4.943 -8.331 3.702 1.00 0.00 N ATOM 1406 CA ILE A 88 -4.685 -6.935 4.178 1.00 0.00 C ATOM 1407 C ILE A 88 -5.989 -6.287 4.645 1.00 0.00 C ATOM 1408 O ILE A 88 -7.027 -6.444 4.023 1.00 0.00 O ATOM 1409 CB ILE A 88 -4.093 -6.107 3.033 1.00 0.00 C ATOM 1410 CG1 ILE A 88 -4.967 -6.257 1.782 1.00 0.00 C ATOM 1411 CG2 ILE A 88 -2.680 -6.599 2.728 1.00 0.00 C ATOM 1412 CD1 ILE A 88 -4.548 -5.222 0.737 1.00 0.00 C ATOM 0 H ILE A 88 -5.885 -8.496 3.347 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.984 -6.970 5.012 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.059 -5.058 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.866 -7.263 1.374 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.017 -6.122 2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.258 -6.011 1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.057 -6.489 3.616 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.715 -7.649 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.170 -5.330 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.672 -4.220 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.503 -5.378 0.469 1.00 0.00 H new ATOM 1424 N CYS A 89 -5.921 -5.548 5.730 1.00 0.00 N ATOM 1425 CA CYS A 89 -7.127 -4.847 6.274 1.00 0.00 C ATOM 1426 C CYS A 89 -7.070 -3.385 5.825 1.00 0.00 C ATOM 1427 O CYS A 89 -6.168 -2.656 6.205 1.00 0.00 O ATOM 1428 CB CYS A 89 -7.108 -4.921 7.804 1.00 0.00 C ATOM 1429 SG CYS A 89 -8.760 -4.561 8.451 1.00 0.00 S ATOM 0 H CYS A 89 -5.067 -5.400 6.268 1.00 0.00 H new ATOM 0 HA CYS A 89 -8.041 -5.316 5.909 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -6.788 -5.912 8.126 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -6.387 -4.208 8.204 1.00 0.00 H new ATOM 1434 N ILE A 90 -8.007 -2.966 4.996 1.00 0.00 N ATOM 1435 CA ILE A 90 -7.995 -1.553 4.483 1.00 0.00 C ATOM 1436 C ILE A 90 -9.313 -0.847 4.820 1.00 0.00 C ATOM 1437 O ILE A 90 -10.313 -1.487 5.102 1.00 0.00 O ATOM 1438 CB ILE A 90 -7.820 -1.555 2.955 1.00 0.00 C ATOM 1439 CG1 ILE A 90 -6.743 -2.565 2.536 1.00 0.00 C ATOM 1440 CG2 ILE A 90 -7.401 -0.161 2.492 1.00 0.00 C ATOM 1441 CD1 ILE A 90 -6.766 -2.734 1.014 1.00 0.00 C ATOM 0 H ILE A 90 -8.777 -3.542 4.654 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.167 -1.026 4.957 1.00 0.00 H new ATOM 0 HB ILE A 90 -8.768 -1.836 2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.761 -2.221 2.860 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.920 -3.524 3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.276 -0.159 1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -8.169 0.561 2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.458 0.112 2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.001 -3.451 0.716 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.745 -3.098 0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.568 -1.774 0.538 1.00 0.00 H new ATOM 1453 N ARG A 91 -9.312 0.472 4.758 1.00 0.00 N ATOM 1454 CA ARG A 91 -10.546 1.267 5.029 1.00 0.00 C ATOM 1455 C ARG A 91 -11.035 1.802 3.687 1.00 0.00 C ATOM 1456 O ARG A 91 -10.301 2.495 3.000 1.00 0.00 O ATOM 1457 CB ARG A 91 -10.219 2.428 5.971 1.00 0.00 C ATOM 1458 CG ARG A 91 -11.425 2.721 6.861 1.00 0.00 C ATOM 1459 CD ARG A 91 -11.009 3.657 7.999 1.00 0.00 C ATOM 1460 NE ARG A 91 -12.170 4.501 8.398 1.00 0.00 N ATOM 1461 CZ ARG A 91 -12.876 4.186 9.450 1.00 0.00 C ATOM 1462 NH1 ARG A 91 -13.369 2.984 9.567 1.00 0.00 N ATOM 1463 NH2 ARG A 91 -13.090 5.072 10.383 1.00 0.00 N ATOM 0 H ARG A 91 -8.491 1.032 4.527 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.312 0.653 5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -9.353 2.179 6.585 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -9.956 3.315 5.394 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -12.221 3.178 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -11.823 1.792 7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.658 3.076 8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.180 4.288 7.680 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.413 5.325 7.849 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -13.203 2.291 8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.921 2.737 10.389 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.706 6.012 10.291 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -13.642 4.825 11.204 1.00 0.00 H new ATOM 1477 N CYS A 92 -12.244 1.455 3.289 1.00 0.00 N ATOM 1478 CA CYS A 92 -12.756 1.904 1.957 1.00 0.00 C ATOM 1479 C CYS A 92 -13.960 2.834 2.085 1.00 0.00 C ATOM 1480 O CYS A 92 -14.758 2.736 3.002 1.00 0.00 O ATOM 1481 CB CYS A 92 -13.160 0.682 1.134 1.00 0.00 C ATOM 1482 SG CYS A 92 -13.175 1.127 -0.618 1.00 0.00 S ATOM 0 H CYS A 92 -12.891 0.883 3.831 1.00 0.00 H new ATOM 0 HA CYS A 92 -11.955 2.457 1.466 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.461 -0.136 1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -14.145 0.331 1.441 1.00 0.00 H new ATOM 1487 N GLU A 93 -14.082 3.718 1.125 1.00 0.00 N ATOM 1488 CA GLU A 93 -15.215 4.690 1.070 1.00 0.00 C ATOM 1489 C GLU A 93 -15.282 5.226 -0.356 1.00 0.00 C ATOM 1490 O GLU A 93 -14.259 5.406 -0.989 1.00 0.00 O ATOM 1491 CB GLU A 93 -14.984 5.852 2.043 1.00 0.00 C ATOM 1492 CG GLU A 93 -13.546 6.362 1.918 1.00 0.00 C ATOM 1493 CD GLU A 93 -13.400 7.676 2.685 1.00 0.00 C ATOM 1494 OE1 GLU A 93 -14.073 8.627 2.327 1.00 0.00 O ATOM 1495 OE2 GLU A 93 -12.615 7.710 3.619 1.00 0.00 O ATOM 0 H GLU A 93 -13.421 3.807 0.354 1.00 0.00 H new ATOM 0 HA GLU A 93 -16.145 4.197 1.353 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -15.685 6.660 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -15.175 5.525 3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -12.851 5.620 2.311 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.292 6.512 0.869 1.00 0.00 H new ATOM 1502 N HIS A 94 -16.470 5.462 -0.866 1.00 0.00 N ATOM 1503 CA HIS A 94 -16.621 5.972 -2.268 1.00 0.00 C ATOM 1504 C HIS A 94 -16.022 4.948 -3.252 1.00 0.00 C ATOM 1505 O HIS A 94 -15.599 5.296 -4.343 1.00 0.00 O ATOM 1506 CB HIS A 94 -15.899 7.319 -2.407 1.00 0.00 C ATOM 1507 CG HIS A 94 -16.484 8.310 -1.436 1.00 0.00 C ATOM 1508 ND1 HIS A 94 -17.731 8.887 -1.624 1.00 0.00 N ATOM 1509 CD2 HIS A 94 -16.001 8.840 -0.265 1.00 0.00 C ATOM 1510 CE1 HIS A 94 -17.953 9.721 -0.592 1.00 0.00 C ATOM 1511 NE2 HIS A 94 -16.930 9.731 0.266 1.00 0.00 N ATOM 0 H HIS A 94 -17.348 5.322 -0.366 1.00 0.00 H new ATOM 0 HA HIS A 94 -17.678 6.112 -2.495 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.833 7.193 -2.215 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -15.998 7.692 -3.426 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -15.045 8.602 0.177 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -18.850 10.311 -0.472 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.847 10.274 1.125 1.00 0.00 H new ATOM 1519 N GLU A 95 -16.007 3.683 -2.867 1.00 0.00 N ATOM 1520 CA GLU A 95 -15.466 2.590 -3.747 1.00 0.00 C ATOM 1521 C GLU A 95 -13.942 2.733 -3.931 1.00 0.00 C ATOM 1522 O GLU A 95 -13.406 2.434 -4.991 1.00 0.00 O ATOM 1523 CB GLU A 95 -16.169 2.626 -5.114 1.00 0.00 C ATOM 1524 CG GLU A 95 -17.684 2.606 -4.916 1.00 0.00 C ATOM 1525 CD GLU A 95 -18.355 2.052 -6.175 1.00 0.00 C ATOM 1526 OE1 GLU A 95 -18.080 2.569 -7.245 1.00 0.00 O ATOM 1527 OE2 GLU A 95 -19.132 1.120 -6.048 1.00 0.00 O ATOM 0 H GLU A 95 -16.354 3.361 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 95 -15.661 1.632 -3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.876 3.522 -5.661 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.860 1.771 -5.715 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -17.941 1.991 -4.053 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -18.048 3.612 -4.710 1.00 0.00 H new ATOM 1534 N LEU A 96 -13.239 3.166 -2.902 1.00 0.00 N ATOM 1535 CA LEU A 96 -11.747 3.308 -3.002 1.00 0.00 C ATOM 1536 C LEU A 96 -11.121 3.367 -1.587 1.00 0.00 C ATOM 1537 O LEU A 96 -11.558 4.161 -0.774 1.00 0.00 O ATOM 1538 CB LEU A 96 -11.391 4.585 -3.785 1.00 0.00 C ATOM 1539 CG LEU A 96 -12.180 5.786 -3.253 1.00 0.00 C ATOM 1540 CD1 LEU A 96 -11.364 6.509 -2.170 1.00 0.00 C ATOM 1541 CD2 LEU A 96 -12.471 6.749 -4.409 1.00 0.00 C ATOM 0 H LEU A 96 -13.636 3.426 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.346 2.443 -3.530 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.322 4.781 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -11.609 4.441 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 96 -13.118 5.441 -2.818 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -11.931 7.362 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -11.159 5.822 -1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.423 6.857 -2.595 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -13.032 7.606 -4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -11.531 7.092 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.056 6.236 -5.172 1.00 0.00 H new ATOM 1553 N PRO A 97 -10.105 2.535 -1.325 1.00 0.00 N ATOM 1554 CA PRO A 97 -9.421 2.513 -0.012 1.00 0.00 C ATOM 1555 C PRO A 97 -8.548 3.754 0.147 1.00 0.00 C ATOM 1556 O PRO A 97 -7.637 3.990 -0.631 1.00 0.00 O ATOM 1557 CB PRO A 97 -8.576 1.236 -0.050 1.00 0.00 C ATOM 1558 CG PRO A 97 -8.382 0.891 -1.540 1.00 0.00 C ATOM 1559 CD PRO A 97 -9.545 1.557 -2.292 1.00 0.00 C ATOM 0 HA PRO A 97 -10.112 2.519 0.831 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -7.616 1.390 0.442 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -9.076 0.423 0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -7.423 1.260 -1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -8.387 -0.188 -1.693 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -9.199 2.051 -3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -10.294 0.824 -2.593 1.00 0.00 H new ATOM 1567 N VAL A 98 -8.846 4.549 1.146 1.00 0.00 N ATOM 1568 CA VAL A 98 -8.080 5.807 1.394 1.00 0.00 C ATOM 1569 C VAL A 98 -7.065 5.602 2.524 1.00 0.00 C ATOM 1570 O VAL A 98 -6.075 6.314 2.602 1.00 0.00 O ATOM 1571 CB VAL A 98 -9.071 6.905 1.787 1.00 0.00 C ATOM 1572 CG1 VAL A 98 -10.040 7.139 0.631 1.00 0.00 C ATOM 1573 CG2 VAL A 98 -9.867 6.463 3.021 1.00 0.00 C ATOM 0 H VAL A 98 -9.601 4.375 1.810 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.537 6.089 0.492 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.526 7.822 2.012 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.750 7.920 0.903 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -9.483 7.447 -0.254 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.580 6.217 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.572 7.246 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.413 5.548 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.182 6.280 3.849 1.00 0.00 H new ATOM 1583 N HIS A 99 -7.317 4.652 3.404 1.00 0.00 N ATOM 1584 CA HIS A 99 -6.382 4.405 4.549 1.00 0.00 C ATOM 1585 C HIS A 99 -6.119 2.909 4.710 1.00 0.00 C ATOM 1586 O HIS A 99 -6.887 2.082 4.249 1.00 0.00 O ATOM 1587 CB HIS A 99 -7.006 4.944 5.837 1.00 0.00 C ATOM 1588 CG HIS A 99 -6.803 6.431 5.909 1.00 0.00 C ATOM 1589 ND1 HIS A 99 -5.585 6.994 6.252 1.00 0.00 N ATOM 1590 CD2 HIS A 99 -7.655 7.485 5.686 1.00 0.00 C ATOM 1591 CE1 HIS A 99 -5.734 8.331 6.226 1.00 0.00 C ATOM 1592 NE2 HIS A 99 -6.977 8.684 5.887 1.00 0.00 N ATOM 0 H HIS A 99 -8.132 4.039 3.375 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.438 4.912 4.347 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.070 4.710 5.864 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.552 4.462 6.703 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.692 7.397 5.399 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -4.945 9.033 6.452 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.349 9.629 5.795 1.00 0.00 H new ATOM 1600 N PHE A 100 -5.033 2.574 5.373 1.00 0.00 N ATOM 1601 CA PHE A 100 -4.670 1.142 5.604 1.00 0.00 C ATOM 1602 C PHE A 100 -4.885 0.804 7.082 1.00 0.00 C ATOM 1603 O PHE A 100 -4.249 1.378 7.952 1.00 0.00 O ATOM 1604 CB PHE A 100 -3.198 0.929 5.242 1.00 0.00 C ATOM 1605 CG PHE A 100 -2.925 -0.542 5.043 1.00 0.00 C ATOM 1606 CD1 PHE A 100 -3.444 -1.207 3.926 1.00 0.00 C ATOM 1607 CD2 PHE A 100 -2.147 -1.238 5.975 1.00 0.00 C ATOM 1608 CE1 PHE A 100 -3.184 -2.570 3.741 1.00 0.00 C ATOM 1609 CE2 PHE A 100 -1.889 -2.601 5.791 1.00 0.00 C ATOM 1610 CZ PHE A 100 -2.406 -3.267 4.673 1.00 0.00 C ATOM 0 H PHE A 100 -4.375 3.246 5.768 1.00 0.00 H new ATOM 0 HA PHE A 100 -5.294 0.497 4.985 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -2.955 1.479 4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -2.559 1.322 6.033 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -4.045 -0.669 3.207 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -1.746 -0.724 6.836 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.584 -3.084 2.879 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -1.291 -3.139 6.511 1.00 0.00 H new ATOM 0 HZ PHE A 100 -2.205 -4.318 4.530 1.00 0.00 H new ATOM 1620 N ALA A 101 -5.778 -0.123 7.363 1.00 0.00 N ATOM 1621 CA ALA A 101 -6.062 -0.522 8.777 1.00 0.00 C ATOM 1622 C ALA A 101 -4.892 -1.341 9.315 1.00 0.00 C ATOM 1623 O ALA A 101 -4.425 -1.117 10.420 1.00 0.00 O ATOM 1624 CB ALA A 101 -7.332 -1.374 8.822 1.00 0.00 C ATOM 0 H ALA A 101 -6.325 -0.623 6.662 1.00 0.00 H new ATOM 0 HA ALA A 101 -6.199 0.372 9.386 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.539 -1.665 9.852 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.171 -0.797 8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.192 -2.268 8.214 1.00 0.00 H new ATOM 1630 N GLY A 102 -4.428 -2.291 8.533 1.00 0.00 N ATOM 1631 CA GLY A 102 -3.289 -3.155 8.966 1.00 0.00 C ATOM 1632 C GLY A 102 -3.124 -4.322 7.991 1.00 0.00 C ATOM 1633 O GLY A 102 -3.683 -4.320 6.907 1.00 0.00 O ATOM 0 H GLY A 102 -4.796 -2.503 7.606 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -2.371 -2.569 9.005 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.469 -3.533 9.972 1.00 0.00 H new ATOM 1637 N VAL A 103 -2.353 -5.313 8.384 1.00 0.00 N ATOM 1638 CA VAL A 103 -2.111 -6.504 7.511 1.00 0.00 C ATOM 1639 C VAL A 103 -2.598 -7.775 8.222 1.00 0.00 C ATOM 1640 O VAL A 103 -2.559 -7.864 9.437 1.00 0.00 O ATOM 1641 CB VAL A 103 -0.606 -6.603 7.219 1.00 0.00 C ATOM 1642 CG1 VAL A 103 0.172 -6.772 8.530 1.00 0.00 C ATOM 1643 CG2 VAL A 103 -0.330 -7.800 6.301 1.00 0.00 C ATOM 0 H VAL A 103 -1.876 -5.344 9.285 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.659 -6.399 6.574 1.00 0.00 H new ATOM 0 HB VAL A 103 -0.282 -5.687 6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.238 -6.841 8.314 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.012 -5.913 9.176 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.156 -7.681 9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.739 -7.864 6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -0.662 -8.717 6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -0.870 -7.671 5.363 1.00 0.00 H new ATOM 1653 N GLY A 104 -3.046 -8.752 7.458 1.00 0.00 N ATOM 1654 CA GLY A 104 -3.537 -10.036 8.053 1.00 0.00 C ATOM 1655 C GLY A 104 -5.005 -9.895 8.460 1.00 0.00 C ATOM 1656 O GLY A 104 -5.891 -9.946 7.623 1.00 0.00 O ATOM 0 H GLY A 104 -3.091 -8.710 6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -3.427 -10.846 7.332 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -2.933 -10.298 8.922 1.00 0.00 H new ATOM 1660 N ILE A 105 -5.257 -9.722 9.741 1.00 0.00 N ATOM 1661 CA ILE A 105 -6.661 -9.581 10.242 1.00 0.00 C ATOM 1662 C ILE A 105 -6.780 -8.307 11.083 1.00 0.00 C ATOM 1663 O ILE A 105 -5.811 -7.855 11.670 1.00 0.00 O ATOM 1664 CB ILE A 105 -7.021 -10.797 11.099 1.00 0.00 C ATOM 1665 CG1 ILE A 105 -5.966 -10.981 12.193 1.00 0.00 C ATOM 1666 CG2 ILE A 105 -7.059 -12.049 10.217 1.00 0.00 C ATOM 1667 CD1 ILE A 105 -6.545 -11.835 13.323 1.00 0.00 C ATOM 0 H ILE A 105 -4.540 -9.673 10.465 1.00 0.00 H new ATOM 0 HA ILE A 105 -7.344 -9.519 9.395 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.998 -10.642 11.556 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -5.078 -11.459 11.780 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -5.655 -10.011 12.579 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -7.315 -12.916 10.826 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -7.808 -11.921 9.435 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -6.081 -12.203 9.761 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.794 -11.966 14.102 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.420 -11.338 13.743 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.834 -12.810 12.931 1.00 0.00 H new ATOM 1679 N CYS A 106 -7.965 -7.732 11.136 1.00 0.00 N ATOM 1680 CA CYS A 106 -8.181 -6.481 11.930 1.00 0.00 C ATOM 1681 C CYS A 106 -8.638 -6.847 13.356 1.00 0.00 C ATOM 1682 O CYS A 106 -9.211 -7.902 13.552 1.00 0.00 O ATOM 1683 CB CYS A 106 -9.252 -5.621 11.245 1.00 0.00 C ATOM 1684 SG CYS A 106 -8.460 -4.218 10.420 1.00 0.00 S ATOM 0 H CYS A 106 -8.795 -8.082 10.658 1.00 0.00 H new ATOM 0 HA CYS A 106 -7.249 -5.919 11.986 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.805 -6.218 10.520 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -9.973 -5.265 11.981 1.00 0.00 H new ATOM 1689 N PRO A 107 -8.369 -5.967 14.316 1.00 0.00 N ATOM 1690 CA PRO A 107 -8.744 -6.195 15.727 1.00 0.00 C ATOM 1691 C PRO A 107 -10.221 -5.848 15.946 1.00 0.00 C ATOM 1692 O PRO A 107 -10.654 -4.834 15.422 1.00 0.00 O ATOM 1693 CB PRO A 107 -7.845 -5.229 16.501 1.00 0.00 C ATOM 1694 CG PRO A 107 -7.446 -4.113 15.508 1.00 0.00 C ATOM 1695 CD PRO A 107 -7.667 -4.677 14.094 1.00 0.00 C ATOM 1696 OXT PRO A 107 -10.891 -6.599 16.636 1.00 0.00 O ATOM 0 HA PRO A 107 -8.619 -7.231 16.040 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -8.371 -4.814 17.361 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -6.963 -5.742 16.884 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -8.050 -3.220 15.667 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.405 -3.823 15.650 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -8.265 -3.999 13.485 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.721 -4.824 13.573 1.00 0.00 H new TER 1704 PRO A 107