USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 842 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 58 ASN : amide:sc= -0.805 K(o=0.45,f=-0.33) USER MOD Set 1.2: A 59 THR OG1 : rot 49:sc= 0.346 USER MOD Set 1.3: A 74 LYS NZ :NH3+ 155:sc= 0.91 (180deg=0.0248) USER MOD Set 2.1: A 28 SER OG : rot -105:sc= -0.0567 USER MOD Set 2.2: A 30 TYR OH : rot 60:sc= 0.7 USER MOD Set 2.3: A 40 SER OG : rot 41:sc= 0.686 USER MOD Set 3.1: A 9 THR OG1 : rot 114:sc= 1.41 USER MOD Set 3.2: A 13 THR OG1 : rot 25:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 178:sc= -0.221 (180deg=-0.237) USER MOD Single : A 6 TYR OH : rot 180:sc= -0.431 USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.105) USER MOD Single : A -3 SER OG : rot 180:sc= -0.0355 USER MOD Single : A -7 GLY N :NH3+ -178:sc= 1.12 (180deg=1.12) USER MOD Single : A 10 ASN : amide:sc= -0.0788 X(o=-0.079,f=-0.079) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -0.116 K(o=-0.12,f=-0.65) USER MOD Single : A 24 ASN : amide:sc= -0.209 K(o=-0.21,f=-0.91) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 73:sc= 1.22 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -179:sc= 0.812 (180deg=0.748) USER MOD Single : A 41 LYS NZ :NH3+ -152:sc= 1.29 (180deg=1.07) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 153:sc= -0.951 (180deg=-2.34) USER MOD Single : A 49 CYS SG : rot 150:sc= -0.187 USER MOD Single : A 52 LYS NZ :NH3+ 137:sc= 0.263 (180deg=-1.49!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.205 USER MOD Single : A 61 MET CE :methyl 167:sc=-0.00212 (180deg=-0.27) USER MOD Single : A 69 GLN : amide:sc= -1.44! K(o=-1.4!,f=-0.076) USER MOD Single : A 70 HIS : no HD1:sc= -0.486 X(o=-0.49,f=-0.49) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.75 K(o=-1.8,f=-4!) USER MOD Single : A 82 GLN : amide:sc= -0.0794 K(o=-0.079,f=-2.1) USER MOD Single : A 90 SER OG : rot -141:sc= -0.613 USER MOD Single : A 91 SER OG : rot -100:sc= -1.82! USER MOD Single : A 92 LYS NZ :NH3+ 139:sc= 1.18 (180deg=0.155) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 140:sc= 0.0519 USER MOD Single : A 98 THR OG1 : rot 47:sc= 0.0777 USER MOD Single : A 100 THR OG1 : rot 20:sc= 0.923 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -7 -12.406 2.310 5.996 1.00 0.00 N ATOM 2 CA GLY A -7 -13.412 3.369 5.755 1.00 0.00 C ATOM 3 C GLY A -7 -12.945 4.711 6.278 1.00 0.00 C ATOM 4 O GLY A -7 -12.609 4.829 7.455 1.00 0.00 O ATOM 0 H1 GLY A -7 -12.744 1.412 5.595 1.00 0.00 H new ATOM 0 H2 GLY A -7 -11.508 2.575 5.543 1.00 0.00 H new ATOM 0 H3 GLY A -7 -12.258 2.198 7.019 1.00 0.00 H new ATOM 0 HA2 GLY A -7 -13.613 3.444 4.686 1.00 0.00 H new ATOM 0 HA3 GLY A -7 -14.351 3.096 6.237 1.00 0.00 H new ATOM 10 N PRO A -6 -12.883 5.731 5.413 1.00 0.00 N ATOM 11 CA PRO A -6 -12.456 7.086 5.789 1.00 0.00 C ATOM 12 C PRO A -6 -13.495 7.798 6.656 1.00 0.00 C ATOM 13 O PRO A -6 -14.695 7.518 6.568 1.00 0.00 O ATOM 14 CB PRO A -6 -12.299 7.800 4.432 1.00 0.00 C ATOM 15 CG PRO A -6 -12.310 6.704 3.420 1.00 0.00 C ATOM 16 CD PRO A -6 -13.214 5.658 3.990 1.00 0.00 C ATOM 0 HA PRO A -6 -11.544 7.079 6.387 1.00 0.00 H new ATOM 0 HB2 PRO A -6 -13.112 8.505 4.260 1.00 0.00 H new ATOM 0 HB3 PRO A -6 -11.370 8.368 4.389 1.00 0.00 H new ATOM 0 HG2 PRO A -6 -12.676 7.060 2.457 1.00 0.00 H new ATOM 0 HG3 PRO A -6 -11.307 6.311 3.254 1.00 0.00 H new ATOM 0 HD2 PRO A -6 -14.265 5.877 3.801 1.00 0.00 H new ATOM 0 HD3 PRO A -6 -13.014 4.671 3.572 1.00 0.00 H new ATOM 24 N LEU A -5 -13.030 8.720 7.487 1.00 0.00 N ATOM 25 CA LEU A -5 -13.906 9.433 8.402 1.00 0.00 C ATOM 26 C LEU A -5 -14.489 10.651 7.696 1.00 0.00 C ATOM 27 O LEU A -5 -13.804 11.657 7.503 1.00 0.00 O ATOM 28 CB LEU A -5 -13.129 9.847 9.664 1.00 0.00 C ATOM 29 CG LEU A -5 -13.970 10.187 10.908 1.00 0.00 C ATOM 30 CD1 LEU A -5 -14.722 11.500 10.739 1.00 0.00 C ATOM 31 CD2 LEU A -5 -14.938 9.056 11.219 1.00 0.00 C ATOM 0 H LEU A -5 -12.048 8.991 7.545 1.00 0.00 H new ATOM 0 HA LEU A -5 -14.724 8.781 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A -5 -12.446 9.039 9.925 1.00 0.00 H new ATOM 0 HB3 LEU A -5 -12.517 10.715 9.418 1.00 0.00 H new ATOM 0 HG LEU A -5 -13.284 10.307 11.747 1.00 0.00 H new ATOM 0 HD11 LEU A -5 -15.304 11.705 11.638 1.00 0.00 H new ATOM 0 HD12 LEU A -5 -14.010 12.309 10.576 1.00 0.00 H new ATOM 0 HD13 LEU A -5 -15.392 11.428 9.882 1.00 0.00 H new ATOM 0 HD21 LEU A -5 -15.525 9.312 12.101 1.00 0.00 H new ATOM 0 HD22 LEU A -5 -15.605 8.904 10.370 1.00 0.00 H new ATOM 0 HD23 LEU A -5 -14.378 8.140 11.409 1.00 0.00 H new ATOM 43 N GLY A -4 -15.743 10.537 7.285 1.00 0.00 N ATOM 44 CA GLY A -4 -16.416 11.640 6.634 1.00 0.00 C ATOM 45 C GLY A -4 -16.043 11.764 5.172 1.00 0.00 C ATOM 46 O GLY A -4 -16.815 11.386 4.291 1.00 0.00 O ATOM 0 H GLY A -4 -16.309 9.695 7.392 1.00 0.00 H new ATOM 0 HA2 GLY A -4 -17.494 11.506 6.721 1.00 0.00 H new ATOM 0 HA3 GLY A -4 -16.168 12.568 7.149 1.00 0.00 H new ATOM 50 N SER A -3 -14.856 12.282 4.909 1.00 0.00 N ATOM 51 CA SER A -3 -14.405 12.507 3.544 1.00 0.00 C ATOM 52 C SER A -3 -12.880 12.363 3.397 1.00 0.00 C ATOM 53 O SER A -3 -12.426 11.749 2.431 1.00 0.00 O ATOM 54 CB SER A -3 -14.867 13.882 3.048 1.00 0.00 C ATOM 55 OG SER A -3 -16.281 13.991 3.108 1.00 0.00 O ATOM 0 H SER A -3 -14.183 12.556 5.625 1.00 0.00 H new ATOM 0 HA SER A -3 -14.858 11.733 2.925 1.00 0.00 H new ATOM 0 HB2 SER A -3 -14.411 14.664 3.655 1.00 0.00 H new ATOM 0 HB3 SER A -3 -14.529 14.036 2.023 1.00 0.00 H new ATOM 0 HG SER A -3 -16.555 14.876 2.789 1.00 0.00 H new ATOM 61 N PRO A -2 -12.061 12.942 4.316 1.00 0.00 N ATOM 62 CA PRO A -2 -10.596 12.809 4.257 1.00 0.00 C ATOM 63 C PRO A -2 -10.121 11.359 4.143 1.00 0.00 C ATOM 64 O PRO A -2 -10.163 10.597 5.112 1.00 0.00 O ATOM 65 CB PRO A -2 -10.124 13.414 5.580 1.00 0.00 C ATOM 66 CG PRO A -2 -11.183 14.389 5.946 1.00 0.00 C ATOM 67 CD PRO A -2 -12.475 13.801 5.450 1.00 0.00 C ATOM 0 HA PRO A -2 -10.195 13.301 3.371 1.00 0.00 H new ATOM 0 HB2 PRO A -2 -10.008 12.648 6.347 1.00 0.00 H new ATOM 0 HB3 PRO A -2 -9.156 13.903 5.469 1.00 0.00 H new ATOM 0 HG2 PRO A -2 -11.214 14.546 7.024 1.00 0.00 H new ATOM 0 HG3 PRO A -2 -10.995 15.360 5.488 1.00 0.00 H new ATOM 0 HD2 PRO A -2 -12.976 13.224 6.227 1.00 0.00 H new ATOM 0 HD3 PRO A -2 -13.171 14.577 5.131 1.00 0.00 H new ATOM 75 N GLU A -1 -9.679 10.988 2.947 1.00 0.00 N ATOM 76 CA GLU A -1 -9.108 9.671 2.705 1.00 0.00 C ATOM 77 C GLU A -1 -7.619 9.818 2.408 1.00 0.00 C ATOM 78 O GLU A -1 -7.174 9.684 1.266 1.00 0.00 O ATOM 79 CB GLU A -1 -9.837 8.983 1.544 1.00 0.00 C ATOM 80 CG GLU A -1 -9.391 7.553 1.271 1.00 0.00 C ATOM 81 CD GLU A -1 -10.089 6.962 0.060 1.00 0.00 C ATOM 82 OE1 GLU A -1 -9.730 7.343 -1.080 1.00 0.00 O ATOM 83 OE2 GLU A -1 -11.016 6.141 0.240 1.00 0.00 O ATOM 0 H GLU A -1 -9.706 11.589 2.123 1.00 0.00 H new ATOM 0 HA GLU A -1 -9.230 9.048 3.591 1.00 0.00 H new ATOM 0 HB2 GLU A -1 -10.907 8.982 1.754 1.00 0.00 H new ATOM 0 HB3 GLU A -1 -9.691 9.574 0.640 1.00 0.00 H new ATOM 0 HG2 GLU A -1 -8.313 7.533 1.114 1.00 0.00 H new ATOM 0 HG3 GLU A -1 -9.597 6.936 2.145 1.00 0.00 H new ATOM 90 N PHE A 0 -6.864 10.139 3.444 1.00 0.00 N ATOM 91 CA PHE A 0 -5.431 10.335 3.318 1.00 0.00 C ATOM 92 C PHE A 0 -4.691 9.458 4.313 1.00 0.00 C ATOM 93 O PHE A 0 -5.042 9.404 5.492 1.00 0.00 O ATOM 94 CB PHE A 0 -5.071 11.805 3.543 1.00 0.00 C ATOM 95 CG PHE A 0 -3.614 12.108 3.329 1.00 0.00 C ATOM 96 CD1 PHE A 0 -3.115 12.300 2.050 1.00 0.00 C ATOM 97 CD2 PHE A 0 -2.744 12.200 4.404 1.00 0.00 C ATOM 98 CE1 PHE A 0 -1.776 12.578 1.848 1.00 0.00 C ATOM 99 CE2 PHE A 0 -1.405 12.476 4.207 1.00 0.00 C ATOM 100 CZ PHE A 0 -0.920 12.665 2.929 1.00 0.00 C ATOM 0 H PHE A 0 -7.224 10.270 4.389 1.00 0.00 H new ATOM 0 HA PHE A 0 -5.131 10.053 2.309 1.00 0.00 H new ATOM 0 HB2 PHE A 0 -5.665 12.423 2.869 1.00 0.00 H new ATOM 0 HB3 PHE A 0 -5.346 12.086 4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 0 -3.780 12.232 1.202 1.00 0.00 H new ATOM 0 HD2 PHE A 0 -3.117 12.054 5.407 1.00 0.00 H new ATOM 0 HE1 PHE A 0 -1.400 12.727 0.847 1.00 0.00 H new ATOM 0 HE2 PHE A 0 -0.738 12.544 5.053 1.00 0.00 H new ATOM 0 HZ PHE A 0 0.127 12.881 2.774 1.00 0.00 H new ATOM 110 N MET A 1 -3.673 8.773 3.830 1.00 0.00 N ATOM 111 CA MET A 1 -2.869 7.900 4.669 1.00 0.00 C ATOM 112 C MET A 1 -1.397 8.025 4.297 1.00 0.00 C ATOM 113 O MET A 1 -1.065 8.120 3.118 1.00 0.00 O ATOM 114 CB MET A 1 -3.340 6.453 4.518 1.00 0.00 C ATOM 115 CG MET A 1 -2.503 5.451 5.290 1.00 0.00 C ATOM 116 SD MET A 1 -2.448 5.801 7.056 1.00 0.00 S ATOM 117 CE MET A 1 -1.287 4.552 7.595 1.00 0.00 C ATOM 0 H MET A 1 -3.380 8.804 2.853 1.00 0.00 H new ATOM 0 HA MET A 1 -2.988 8.198 5.711 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.375 6.381 4.852 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.327 6.185 3.461 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.907 4.451 5.135 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.488 5.450 4.893 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.114 4.655 8.666 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.694 3.563 7.386 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.345 4.677 7.061 1.00 0.00 H new ATOM 127 N GLU A 2 -0.525 8.027 5.298 1.00 0.00 N ATOM 128 CA GLU A 2 0.907 8.168 5.067 1.00 0.00 C ATOM 129 C GLU A 2 1.690 7.196 5.943 1.00 0.00 C ATOM 130 O GLU A 2 1.205 6.756 6.987 1.00 0.00 O ATOM 131 CB GLU A 2 1.360 9.604 5.350 1.00 0.00 C ATOM 132 CG GLU A 2 1.081 10.067 6.771 1.00 0.00 C ATOM 133 CD GLU A 2 1.664 11.435 7.066 1.00 0.00 C ATOM 134 OE1 GLU A 2 1.057 12.446 6.657 1.00 0.00 O ATOM 135 OE2 GLU A 2 2.726 11.509 7.718 1.00 0.00 O ATOM 0 H GLU A 2 -0.786 7.932 6.280 1.00 0.00 H new ATOM 0 HA GLU A 2 1.105 7.936 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.430 9.682 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.859 10.277 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.004 10.093 6.935 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.493 9.342 7.473 1.00 0.00 H new ATOM 142 N GLY A 3 2.891 6.854 5.502 1.00 0.00 N ATOM 143 CA GLY A 3 3.753 5.974 6.264 1.00 0.00 C ATOM 144 C GLY A 3 4.645 5.153 5.362 1.00 0.00 C ATOM 145 O GLY A 3 4.756 5.443 4.169 1.00 0.00 O ATOM 0 H GLY A 3 3.288 7.175 4.619 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.367 6.564 6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.145 5.310 6.878 1.00 0.00 H new ATOM 149 N VAL A 4 5.286 4.132 5.913 1.00 0.00 N ATOM 150 CA VAL A 4 6.148 3.278 5.113 1.00 0.00 C ATOM 151 C VAL A 4 5.646 1.839 5.143 1.00 0.00 C ATOM 152 O VAL A 4 4.893 1.446 6.038 1.00 0.00 O ATOM 153 CB VAL A 4 7.631 3.314 5.578 1.00 0.00 C ATOM 154 CG1 VAL A 4 8.018 4.694 6.091 1.00 0.00 C ATOM 155 CG2 VAL A 4 7.918 2.241 6.617 1.00 0.00 C ATOM 0 H VAL A 4 5.226 3.878 6.899 1.00 0.00 H new ATOM 0 HA VAL A 4 6.111 3.668 4.096 1.00 0.00 H new ATOM 0 HB VAL A 4 8.249 3.099 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.061 4.685 6.408 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.887 5.428 5.296 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.384 4.959 6.937 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.964 2.297 6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.281 2.398 7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.715 1.258 6.191 1.00 0.00 H new ATOM 165 N LEU A 5 6.067 1.070 4.157 1.00 0.00 N ATOM 166 CA LEU A 5 5.728 -0.344 4.064 1.00 0.00 C ATOM 167 C LEU A 5 6.979 -1.129 3.708 1.00 0.00 C ATOM 168 O LEU A 5 7.905 -0.590 3.095 1.00 0.00 O ATOM 169 CB LEU A 5 4.660 -0.620 2.983 1.00 0.00 C ATOM 170 CG LEU A 5 3.206 -0.238 3.305 1.00 0.00 C ATOM 171 CD1 LEU A 5 2.767 -0.797 4.652 1.00 0.00 C ATOM 172 CD2 LEU A 5 3.017 1.264 3.251 1.00 0.00 C ATOM 0 H LEU A 5 6.655 1.406 3.394 1.00 0.00 H new ATOM 0 HA LEU A 5 5.324 -0.649 5.029 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.954 -0.090 2.077 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.684 -1.685 2.751 1.00 0.00 H new ATOM 0 HG LEU A 5 2.570 -0.687 2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.734 -0.508 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.842 -1.884 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.410 -0.400 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.980 1.509 3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.674 1.740 3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.261 1.626 2.252 1.00 0.00 H new ATOM 184 N TYR A 6 7.014 -2.385 4.115 1.00 0.00 N ATOM 185 CA TYR A 6 8.056 -3.292 3.673 1.00 0.00 C ATOM 186 C TYR A 6 7.850 -3.620 2.207 1.00 0.00 C ATOM 187 O TYR A 6 6.799 -4.132 1.817 1.00 0.00 O ATOM 188 CB TYR A 6 8.060 -4.567 4.533 1.00 0.00 C ATOM 189 CG TYR A 6 8.286 -5.868 3.774 1.00 0.00 C ATOM 190 CD1 TYR A 6 9.549 -6.242 3.336 1.00 0.00 C ATOM 191 CD2 TYR A 6 7.224 -6.721 3.498 1.00 0.00 C ATOM 192 CE1 TYR A 6 9.745 -7.426 2.646 1.00 0.00 C ATOM 193 CE2 TYR A 6 7.412 -7.902 2.812 1.00 0.00 C ATOM 194 CZ TYR A 6 8.672 -8.251 2.387 1.00 0.00 C ATOM 195 OH TYR A 6 8.857 -9.429 1.704 1.00 0.00 O ATOM 0 H TYR A 6 6.333 -2.800 4.751 1.00 0.00 H new ATOM 0 HA TYR A 6 9.028 -2.813 3.790 1.00 0.00 H new ATOM 0 HB2 TYR A 6 8.836 -4.470 5.292 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.107 -4.634 5.058 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.393 -5.599 3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.231 -6.453 3.828 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.734 -7.702 2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.573 -8.551 2.609 1.00 0.00 H new ATOM 0 HH TYR A 6 7.998 -9.890 1.608 1.00 0.00 H new ATOM 205 N LYS A 7 8.836 -3.288 1.401 1.00 0.00 N ATOM 206 CA LYS A 7 8.802 -3.612 -0.007 1.00 0.00 C ATOM 207 C LYS A 7 9.839 -4.679 -0.307 1.00 0.00 C ATOM 208 O LYS A 7 11.036 -4.472 -0.080 1.00 0.00 O ATOM 209 CB LYS A 7 9.074 -2.367 -0.862 1.00 0.00 C ATOM 210 CG LYS A 7 9.071 -2.651 -2.356 1.00 0.00 C ATOM 211 CD LYS A 7 7.668 -2.940 -2.870 1.00 0.00 C ATOM 212 CE LYS A 7 7.690 -3.569 -4.257 1.00 0.00 C ATOM 213 NZ LYS A 7 8.522 -2.801 -5.225 1.00 0.00 N ATOM 0 H LYS A 7 9.675 -2.791 1.700 1.00 0.00 H new ATOM 0 HA LYS A 7 7.808 -3.986 -0.254 1.00 0.00 H new ATOM 0 HB2 LYS A 7 8.320 -1.611 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.039 -1.946 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.485 -1.796 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.718 -3.502 -2.566 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.158 -3.608 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.094 -2.014 -2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.073 -4.587 -4.183 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.670 -3.638 -4.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.368 -3.171 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.253 -1.797 -5.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.526 -2.898 -4.973 1.00 0.00 H new ATOM 227 N TRP A 8 9.386 -5.828 -0.786 1.00 0.00 N ATOM 228 CA TRP A 8 10.303 -6.857 -1.232 1.00 0.00 C ATOM 229 C TRP A 8 10.919 -6.424 -2.548 1.00 0.00 C ATOM 230 O TRP A 8 10.257 -6.416 -3.589 1.00 0.00 O ATOM 231 CB TRP A 8 9.604 -8.211 -1.393 1.00 0.00 C ATOM 232 CG TRP A 8 10.547 -9.316 -1.775 1.00 0.00 C ATOM 233 CD1 TRP A 8 10.774 -9.811 -3.030 1.00 0.00 C ATOM 234 CD2 TRP A 8 11.395 -10.062 -0.894 1.00 0.00 C ATOM 235 NE1 TRP A 8 11.710 -10.815 -2.979 1.00 0.00 N ATOM 236 CE2 TRP A 8 12.103 -10.987 -1.680 1.00 0.00 C ATOM 237 CE3 TRP A 8 11.624 -10.036 0.487 1.00 0.00 C ATOM 238 CZ2 TRP A 8 13.021 -11.880 -1.135 1.00 0.00 C ATOM 239 CZ3 TRP A 8 12.539 -10.922 1.025 1.00 0.00 C ATOM 240 CH2 TRP A 8 13.226 -11.832 0.215 1.00 0.00 C ATOM 0 H TRP A 8 8.398 -6.067 -0.874 1.00 0.00 H new ATOM 0 HA TRP A 8 11.078 -6.984 -0.477 1.00 0.00 H new ATOM 0 HB2 TRP A 8 9.108 -8.471 -0.458 1.00 0.00 H new ATOM 0 HB3 TRP A 8 8.827 -8.125 -2.153 1.00 0.00 H new ATOM 0 HD1 TRP A 8 10.288 -9.463 -3.930 1.00 0.00 H new ATOM 0 HE1 TRP A 8 12.055 -11.345 -3.779 1.00 0.00 H new ATOM 0 HE3 TRP A 8 11.096 -9.338 1.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 13.552 -12.585 -1.757 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 12.726 -10.911 2.089 1.00 0.00 H new ATOM 0 HH2 TRP A 8 13.934 -12.511 0.666 1.00 0.00 H new ATOM 251 N THR A 9 12.169 -6.017 -2.484 1.00 0.00 N ATOM 252 CA THR A 9 12.879 -5.581 -3.662 1.00 0.00 C ATOM 253 C THR A 9 13.454 -6.780 -4.399 1.00 0.00 C ATOM 254 O THR A 9 12.918 -7.210 -5.420 1.00 0.00 O ATOM 255 CB THR A 9 13.990 -4.579 -3.294 1.00 0.00 C ATOM 256 OG1 THR A 9 14.681 -5.019 -2.113 1.00 0.00 O ATOM 257 CG2 THR A 9 13.404 -3.196 -3.055 1.00 0.00 C ATOM 0 H THR A 9 12.715 -5.980 -1.623 1.00 0.00 H new ATOM 0 HA THR A 9 12.177 -5.072 -4.322 1.00 0.00 H new ATOM 0 HB THR A 9 14.693 -4.526 -4.125 1.00 0.00 H new ATOM 0 HG1 THR A 9 15.606 -5.248 -2.342 1.00 0.00 H new ATOM 0 HG21 THR A 9 14.204 -2.502 -2.796 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.903 -2.852 -3.960 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.685 -3.242 -2.237 1.00 0.00 H new ATOM 265 N ASN A 10 14.519 -7.335 -3.852 1.00 0.00 N ATOM 266 CA ASN A 10 15.142 -8.524 -4.406 1.00 0.00 C ATOM 267 C ASN A 10 15.607 -9.409 -3.267 1.00 0.00 C ATOM 268 O ASN A 10 15.794 -8.939 -2.146 1.00 0.00 O ATOM 269 CB ASN A 10 16.335 -8.159 -5.302 1.00 0.00 C ATOM 270 CG ASN A 10 15.939 -7.323 -6.509 1.00 0.00 C ATOM 271 OD1 ASN A 10 15.968 -6.093 -6.462 1.00 0.00 O ATOM 272 ND2 ASN A 10 15.559 -7.981 -7.595 1.00 0.00 N ATOM 0 H ASN A 10 14.976 -6.976 -3.014 1.00 0.00 H new ATOM 0 HA ASN A 10 14.412 -9.051 -5.020 1.00 0.00 H new ATOM 0 HB2 ASN A 10 17.070 -7.611 -4.713 1.00 0.00 H new ATOM 0 HB3 ASN A 10 16.819 -9.074 -5.644 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.277 -7.467 -8.430 1.00 0.00 H new ATOM 0 HD22 ASN A 10 15.548 -9.001 -7.596 1.00 0.00 H new ATOM 279 N TYR A 11 15.790 -10.690 -3.550 1.00 0.00 N ATOM 280 CA TYR A 11 16.207 -11.643 -2.528 1.00 0.00 C ATOM 281 C TYR A 11 17.630 -11.353 -2.053 1.00 0.00 C ATOM 282 O TYR A 11 18.031 -11.791 -0.977 1.00 0.00 O ATOM 283 CB TYR A 11 16.092 -13.085 -3.043 1.00 0.00 C ATOM 284 CG TYR A 11 16.899 -13.375 -4.292 1.00 0.00 C ATOM 285 CD1 TYR A 11 16.364 -13.147 -5.553 1.00 0.00 C ATOM 286 CD2 TYR A 11 18.192 -13.876 -4.210 1.00 0.00 C ATOM 287 CE1 TYR A 11 17.094 -13.410 -6.696 1.00 0.00 C ATOM 288 CE2 TYR A 11 18.927 -14.141 -5.348 1.00 0.00 C ATOM 289 CZ TYR A 11 18.376 -13.906 -6.588 1.00 0.00 C ATOM 290 OH TYR A 11 19.107 -14.174 -7.725 1.00 0.00 O ATOM 0 H TYR A 11 15.657 -11.095 -4.477 1.00 0.00 H new ATOM 0 HA TYR A 11 15.537 -11.530 -1.676 1.00 0.00 H new ATOM 0 HB2 TYR A 11 16.412 -13.765 -2.254 1.00 0.00 H new ATOM 0 HB3 TYR A 11 15.043 -13.302 -3.245 1.00 0.00 H new ATOM 0 HD1 TYR A 11 15.361 -12.758 -5.642 1.00 0.00 H new ATOM 0 HD2 TYR A 11 18.629 -14.061 -3.240 1.00 0.00 H new ATOM 0 HE1 TYR A 11 16.663 -13.228 -7.669 1.00 0.00 H new ATOM 0 HE2 TYR A 11 19.931 -14.531 -5.266 1.00 0.00 H new ATOM 0 HH TYR A 11 19.990 -14.517 -7.473 1.00 0.00 H new ATOM 300 N LEU A 12 18.387 -10.623 -2.865 1.00 0.00 N ATOM 301 CA LEU A 12 19.742 -10.229 -2.501 1.00 0.00 C ATOM 302 C LEU A 12 19.727 -9.139 -1.433 1.00 0.00 C ATOM 303 O LEU A 12 20.534 -9.150 -0.506 1.00 0.00 O ATOM 304 CB LEU A 12 20.511 -9.744 -3.731 1.00 0.00 C ATOM 305 CG LEU A 12 20.804 -10.817 -4.783 1.00 0.00 C ATOM 306 CD1 LEU A 12 21.545 -10.213 -5.962 1.00 0.00 C ATOM 307 CD2 LEU A 12 21.612 -11.952 -4.177 1.00 0.00 C ATOM 0 H LEU A 12 18.084 -10.292 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 12 20.245 -11.106 -2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 12 19.942 -8.942 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 12 21.457 -9.313 -3.402 1.00 0.00 H new ATOM 0 HG LEU A 12 19.855 -11.220 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 12 21.746 -10.988 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 12 20.935 -9.431 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.487 -9.785 -5.619 1.00 0.00 H new ATOM 0 HD21 LEU A 12 21.810 -12.705 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 12 22.557 -11.563 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 12 21.049 -12.403 -3.360 1.00 0.00 H new ATOM 319 N THR A 13 18.807 -8.196 -1.579 1.00 0.00 N ATOM 320 CA THR A 13 18.700 -7.078 -0.660 1.00 0.00 C ATOM 321 C THR A 13 17.866 -7.423 0.571 1.00 0.00 C ATOM 322 O THR A 13 18.242 -7.101 1.698 1.00 0.00 O ATOM 323 CB THR A 13 18.083 -5.869 -1.377 1.00 0.00 C ATOM 324 OG1 THR A 13 17.032 -6.314 -2.246 1.00 0.00 O ATOM 325 CG2 THR A 13 19.132 -5.127 -2.181 1.00 0.00 C ATOM 0 H THR A 13 18.120 -8.186 -2.333 1.00 0.00 H new ATOM 0 HA THR A 13 19.708 -6.837 -0.321 1.00 0.00 H new ATOM 0 HB THR A 13 17.679 -5.188 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.676 -7.167 -1.919 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.672 -4.274 -2.680 1.00 0.00 H new ATOM 0 HG22 THR A 13 19.920 -4.776 -1.515 1.00 0.00 H new ATOM 0 HG23 THR A 13 19.560 -5.797 -2.927 1.00 0.00 H new ATOM 333 N GLY A 14 16.734 -8.076 0.351 1.00 0.00 N ATOM 334 CA GLY A 14 15.860 -8.429 1.449 1.00 0.00 C ATOM 335 C GLY A 14 14.694 -7.474 1.570 1.00 0.00 C ATOM 336 O GLY A 14 13.949 -7.271 0.610 1.00 0.00 O ATOM 0 H GLY A 14 16.406 -8.368 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 14 15.486 -9.442 1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 14 16.428 -8.429 2.380 1.00 0.00 H new ATOM 340 N TRP A 15 14.538 -6.872 2.738 1.00 0.00 N ATOM 341 CA TRP A 15 13.433 -5.959 2.972 1.00 0.00 C ATOM 342 C TRP A 15 13.928 -4.512 2.958 1.00 0.00 C ATOM 343 O TRP A 15 14.968 -4.196 3.536 1.00 0.00 O ATOM 344 CB TRP A 15 12.733 -6.308 4.301 1.00 0.00 C ATOM 345 CG TRP A 15 13.072 -5.409 5.455 1.00 0.00 C ATOM 346 CD1 TRP A 15 14.112 -5.539 6.331 1.00 0.00 C ATOM 347 CD2 TRP A 15 12.347 -4.244 5.863 1.00 0.00 C ATOM 348 NE1 TRP A 15 14.084 -4.516 7.248 1.00 0.00 N ATOM 349 CE2 TRP A 15 13.009 -3.710 6.981 1.00 0.00 C ATOM 350 CE3 TRP A 15 11.205 -3.600 5.384 1.00 0.00 C ATOM 351 CZ2 TRP A 15 12.566 -2.559 7.625 1.00 0.00 C ATOM 352 CZ3 TRP A 15 10.766 -2.460 6.025 1.00 0.00 C ATOM 353 CH2 TRP A 15 11.447 -1.951 7.137 1.00 0.00 C ATOM 0 H TRP A 15 15.161 -6.999 3.536 1.00 0.00 H new ATOM 0 HA TRP A 15 12.702 -6.065 2.170 1.00 0.00 H new ATOM 0 HB2 TRP A 15 11.655 -6.281 4.144 1.00 0.00 H new ATOM 0 HB3 TRP A 15 12.990 -7.332 4.571 1.00 0.00 H new ATOM 0 HD1 TRP A 15 14.848 -6.329 6.306 1.00 0.00 H new ATOM 0 HE1 TRP A 15 14.755 -4.379 8.004 1.00 0.00 H new ATOM 0 HE3 TRP A 15 10.674 -3.987 4.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 13.090 -2.161 8.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 9.884 -1.953 5.663 1.00 0.00 H new ATOM 0 HH2 TRP A 15 11.078 -1.058 7.619 1.00 0.00 H new ATOM 364 N GLN A 16 13.208 -3.649 2.254 1.00 0.00 N ATOM 365 CA GLN A 16 13.530 -2.226 2.229 1.00 0.00 C ATOM 366 C GLN A 16 12.280 -1.389 2.498 1.00 0.00 C ATOM 367 O GLN A 16 11.267 -1.548 1.814 1.00 0.00 O ATOM 368 CB GLN A 16 14.133 -1.833 0.874 1.00 0.00 C ATOM 369 CG GLN A 16 15.469 -2.500 0.566 1.00 0.00 C ATOM 370 CD GLN A 16 16.547 -2.177 1.587 1.00 0.00 C ATOM 371 OE1 GLN A 16 16.535 -1.115 2.213 1.00 0.00 O ATOM 372 NE2 GLN A 16 17.501 -3.084 1.749 1.00 0.00 N ATOM 0 H GLN A 16 12.397 -3.908 1.692 1.00 0.00 H new ATOM 0 HA GLN A 16 14.263 -2.032 3.012 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.423 -2.086 0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 16 14.265 -0.751 0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 16 15.328 -3.580 0.525 1.00 0.00 H new ATOM 0 HG3 GLN A 16 15.806 -2.185 -0.421 1.00 0.00 H new ATOM 0 HE21 GLN A 16 17.477 -3.951 1.213 1.00 0.00 H new ATOM 0 HE22 GLN A 16 18.259 -2.914 2.410 1.00 0.00 H new ATOM 381 N PRO A 17 12.322 -0.511 3.516 1.00 0.00 N ATOM 382 CA PRO A 17 11.222 0.412 3.805 1.00 0.00 C ATOM 383 C PRO A 17 11.133 1.542 2.786 1.00 0.00 C ATOM 384 O PRO A 17 12.130 2.200 2.477 1.00 0.00 O ATOM 385 CB PRO A 17 11.580 0.974 5.177 1.00 0.00 C ATOM 386 CG PRO A 17 13.064 0.882 5.241 1.00 0.00 C ATOM 387 CD PRO A 17 13.427 -0.366 4.485 1.00 0.00 C ATOM 0 HA PRO A 17 10.254 -0.089 3.770 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.241 2.004 5.285 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.112 0.399 5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.530 1.760 4.794 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.409 0.829 6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.390 -0.267 3.985 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.498 -1.230 5.146 1.00 0.00 H new ATOM 395 N ARG A 18 9.941 1.755 2.253 1.00 0.00 N ATOM 396 CA ARG A 18 9.704 2.858 1.332 1.00 0.00 C ATOM 397 C ARG A 18 8.462 3.633 1.747 1.00 0.00 C ATOM 398 O ARG A 18 7.618 3.110 2.475 1.00 0.00 O ATOM 399 CB ARG A 18 9.574 2.346 -0.104 1.00 0.00 C ATOM 400 CG ARG A 18 10.912 1.976 -0.729 1.00 0.00 C ATOM 401 CD ARG A 18 11.838 3.182 -0.782 1.00 0.00 C ATOM 402 NE ARG A 18 13.161 2.855 -1.314 1.00 0.00 N ATOM 403 CZ ARG A 18 14.122 3.759 -1.511 1.00 0.00 C ATOM 404 NH1 ARG A 18 13.921 5.025 -1.171 1.00 0.00 N ATOM 405 NH2 ARG A 18 15.293 3.394 -2.019 1.00 0.00 N ATOM 0 H ARG A 18 9.121 1.179 2.442 1.00 0.00 H new ATOM 0 HA ARG A 18 10.559 3.533 1.371 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.921 1.473 -0.115 1.00 0.00 H new ATOM 0 HB3 ARG A 18 9.094 3.111 -0.714 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.380 1.178 -0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.753 1.590 -1.736 1.00 0.00 H new ATOM 0 HD2 ARG A 18 11.384 3.957 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.946 3.596 0.220 1.00 0.00 H new ATOM 0 HE ARG A 18 13.360 1.882 -1.547 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.032 5.307 -0.759 1.00 0.00 H new ATOM 0 HH12 ARG A 18 14.656 5.716 -1.322 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.462 2.418 -2.261 1.00 0.00 H new ATOM 0 HH22 ARG A 18 16.024 4.090 -2.167 1.00 0.00 H new ATOM 419 N TRP A 19 8.351 4.870 1.277 1.00 0.00 N ATOM 420 CA TRP A 19 7.287 5.763 1.714 1.00 0.00 C ATOM 421 C TRP A 19 6.104 5.693 0.754 1.00 0.00 C ATOM 422 O TRP A 19 6.262 5.865 -0.457 1.00 0.00 O ATOM 423 CB TRP A 19 7.813 7.202 1.812 1.00 0.00 C ATOM 424 CG TRP A 19 6.840 8.166 2.426 1.00 0.00 C ATOM 425 CD1 TRP A 19 5.920 8.931 1.772 1.00 0.00 C ATOM 426 CD2 TRP A 19 6.693 8.466 3.819 1.00 0.00 C ATOM 427 NE1 TRP A 19 5.212 9.689 2.672 1.00 0.00 N ATOM 428 CE2 TRP A 19 5.666 9.420 3.935 1.00 0.00 C ATOM 429 CE3 TRP A 19 7.330 8.018 4.980 1.00 0.00 C ATOM 430 CZ2 TRP A 19 5.263 9.935 5.165 1.00 0.00 C ATOM 431 CZ3 TRP A 19 6.929 8.529 6.199 1.00 0.00 C ATOM 432 CH2 TRP A 19 5.903 9.478 6.284 1.00 0.00 C ATOM 0 H TRP A 19 8.987 5.277 0.592 1.00 0.00 H new ATOM 0 HA TRP A 19 6.948 5.446 2.700 1.00 0.00 H new ATOM 0 HB2 TRP A 19 8.731 7.203 2.400 1.00 0.00 H new ATOM 0 HB3 TRP A 19 8.074 7.552 0.813 1.00 0.00 H new ATOM 0 HD1 TRP A 19 5.770 8.940 0.702 1.00 0.00 H new ATOM 0 HE1 TRP A 19 4.468 10.346 2.437 1.00 0.00 H new ATOM 0 HE3 TRP A 19 8.122 7.285 4.925 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 4.473 10.669 5.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.415 8.191 7.102 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.611 9.857 7.252 1.00 0.00 H new ATOM 443 N PHE A 20 4.925 5.436 1.303 1.00 0.00 N ATOM 444 CA PHE A 20 3.707 5.324 0.513 1.00 0.00 C ATOM 445 C PHE A 20 2.635 6.241 1.087 1.00 0.00 C ATOM 446 O PHE A 20 2.581 6.458 2.299 1.00 0.00 O ATOM 447 CB PHE A 20 3.185 3.879 0.509 1.00 0.00 C ATOM 448 CG PHE A 20 4.120 2.874 -0.109 1.00 0.00 C ATOM 449 CD1 PHE A 20 5.105 2.265 0.651 1.00 0.00 C ATOM 450 CD2 PHE A 20 4.001 2.528 -1.445 1.00 0.00 C ATOM 451 CE1 PHE A 20 5.956 1.332 0.092 1.00 0.00 C ATOM 452 CE2 PHE A 20 4.848 1.593 -2.009 1.00 0.00 C ATOM 453 CZ PHE A 20 5.826 0.994 -1.240 1.00 0.00 C ATOM 0 H PHE A 20 4.786 5.300 2.304 1.00 0.00 H new ATOM 0 HA PHE A 20 3.938 5.616 -0.511 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.978 3.579 1.536 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.237 3.851 -0.028 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.209 2.523 1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.239 2.994 -2.052 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.722 0.868 0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.745 1.331 -3.052 1.00 0.00 H new ATOM 0 HZ PHE A 20 6.488 0.263 -1.680 1.00 0.00 H new ATOM 463 N VAL A 21 1.803 6.798 0.221 1.00 0.00 N ATOM 464 CA VAL A 21 0.673 7.604 0.661 1.00 0.00 C ATOM 465 C VAL A 21 -0.580 7.242 -0.129 1.00 0.00 C ATOM 466 O VAL A 21 -0.517 7.004 -1.337 1.00 0.00 O ATOM 467 CB VAL A 21 0.929 9.133 0.555 1.00 0.00 C ATOM 468 CG1 VAL A 21 2.153 9.545 1.357 1.00 0.00 C ATOM 469 CG2 VAL A 21 1.075 9.575 -0.891 1.00 0.00 C ATOM 0 H VAL A 21 1.888 6.707 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 21 0.531 7.375 1.717 1.00 0.00 H new ATOM 0 HB VAL A 21 0.057 9.633 0.977 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.305 10.620 1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.003 9.291 2.406 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.030 9.020 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.253 10.650 -0.927 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.915 9.053 -1.348 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.161 9.340 -1.437 1.00 0.00 H new ATOM 479 N LEU A 22 -1.704 7.152 0.562 1.00 0.00 N ATOM 480 CA LEU A 22 -2.977 6.912 -0.100 1.00 0.00 C ATOM 481 C LEU A 22 -3.712 8.235 -0.181 1.00 0.00 C ATOM 482 O LEU A 22 -3.984 8.869 0.843 1.00 0.00 O ATOM 483 CB LEU A 22 -3.814 5.874 0.679 1.00 0.00 C ATOM 484 CG LEU A 22 -5.038 5.271 -0.051 1.00 0.00 C ATOM 485 CD1 LEU A 22 -6.139 6.300 -0.272 1.00 0.00 C ATOM 486 CD2 LEU A 22 -4.622 4.646 -1.377 1.00 0.00 C ATOM 0 H LEU A 22 -1.762 7.241 1.576 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.810 6.509 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.155 5.056 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.164 6.342 1.599 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.443 4.492 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.977 5.831 -0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.475 6.686 0.690 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.754 7.121 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.498 4.228 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.173 5.408 -2.014 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.896 3.853 -1.194 1.00 0.00 H new ATOM 498 N ASP A 23 -4.006 8.654 -1.396 1.00 0.00 N ATOM 499 CA ASP A 23 -4.705 9.903 -1.623 1.00 0.00 C ATOM 500 C ASP A 23 -5.754 9.746 -2.721 1.00 0.00 C ATOM 501 O ASP A 23 -5.438 9.523 -3.886 1.00 0.00 O ATOM 502 CB ASP A 23 -3.709 11.036 -1.947 1.00 0.00 C ATOM 503 CG ASP A 23 -2.953 10.864 -3.259 1.00 0.00 C ATOM 504 OD1 ASP A 23 -1.959 10.107 -3.293 1.00 0.00 O ATOM 505 OD2 ASP A 23 -3.321 11.535 -4.248 1.00 0.00 O ATOM 0 H ASP A 23 -3.770 8.143 -2.247 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.228 10.176 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.252 11.981 -1.977 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.987 11.110 -1.134 1.00 0.00 H new ATOM 510 N ASN A 24 -7.019 9.805 -2.308 1.00 0.00 N ATOM 511 CA ASN A 24 -8.164 9.790 -3.227 1.00 0.00 C ATOM 512 C ASN A 24 -8.143 8.570 -4.156 1.00 0.00 C ATOM 513 O ASN A 24 -8.163 8.703 -5.381 1.00 0.00 O ATOM 514 CB ASN A 24 -8.205 11.091 -4.045 1.00 0.00 C ATOM 515 CG ASN A 24 -9.475 11.235 -4.871 1.00 0.00 C ATOM 516 OD1 ASN A 24 -10.541 10.741 -4.494 1.00 0.00 O ATOM 517 ND2 ASN A 24 -9.378 11.931 -5.994 1.00 0.00 N ATOM 0 H ASN A 24 -7.283 9.865 -1.325 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.069 9.718 -2.623 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.120 11.942 -3.369 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -7.341 11.124 -4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.202 12.073 -6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -8.480 12.325 -6.274 1.00 0.00 H new ATOM 524 N GLY A 25 -8.108 7.381 -3.569 1.00 0.00 N ATOM 525 CA GLY A 25 -8.129 6.158 -4.357 1.00 0.00 C ATOM 526 C GLY A 25 -6.830 5.886 -5.091 1.00 0.00 C ATOM 527 O GLY A 25 -6.736 4.935 -5.867 1.00 0.00 O ATOM 0 H GLY A 25 -8.065 7.239 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.349 5.316 -3.700 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.941 6.217 -5.082 1.00 0.00 H new ATOM 531 N ILE A 26 -5.831 6.723 -4.873 1.00 0.00 N ATOM 532 CA ILE A 26 -4.534 6.514 -5.486 1.00 0.00 C ATOM 533 C ILE A 26 -3.493 6.223 -4.421 1.00 0.00 C ATOM 534 O ILE A 26 -3.384 6.943 -3.434 1.00 0.00 O ATOM 535 CB ILE A 26 -4.071 7.732 -6.318 1.00 0.00 C ATOM 536 CG1 ILE A 26 -5.145 8.138 -7.339 1.00 0.00 C ATOM 537 CG2 ILE A 26 -2.751 7.421 -7.021 1.00 0.00 C ATOM 538 CD1 ILE A 26 -5.582 7.012 -8.252 1.00 0.00 C ATOM 0 H ILE A 26 -5.894 7.550 -4.279 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.638 5.664 -6.160 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.916 8.572 -5.641 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.016 8.517 -6.804 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -4.763 8.958 -7.947 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.436 8.287 -7.603 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.989 7.187 -6.277 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.885 6.567 -7.685 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.341 7.378 -8.943 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.724 6.647 -8.816 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.996 6.200 -7.655 1.00 0.00 H new ATOM 550 N LEU A 27 -2.743 5.158 -4.614 1.00 0.00 N ATOM 551 CA LEU A 27 -1.662 4.825 -3.711 1.00 0.00 C ATOM 552 C LEU A 27 -0.350 5.149 -4.409 1.00 0.00 C ATOM 553 O LEU A 27 0.051 4.463 -5.343 1.00 0.00 O ATOM 554 CB LEU A 27 -1.753 3.333 -3.316 1.00 0.00 C ATOM 555 CG LEU A 27 -0.871 2.875 -2.142 1.00 0.00 C ATOM 556 CD1 LEU A 27 0.597 2.827 -2.532 1.00 0.00 C ATOM 557 CD2 LEU A 27 -1.077 3.781 -0.936 1.00 0.00 C ATOM 0 H LEU A 27 -2.863 4.507 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.725 5.406 -2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.791 3.109 -3.070 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.496 2.733 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.173 1.863 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.190 2.499 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.732 2.127 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.924 3.820 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.445 3.443 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.811 4.805 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.122 3.745 -0.628 1.00 0.00 H new ATOM 569 N SER A 28 0.318 6.190 -3.960 1.00 0.00 N ATOM 570 CA SER A 28 1.533 6.634 -4.611 1.00 0.00 C ATOM 571 C SER A 28 2.751 6.330 -3.747 1.00 0.00 C ATOM 572 O SER A 28 2.663 6.319 -2.517 1.00 0.00 O ATOM 573 CB SER A 28 1.438 8.128 -4.939 1.00 0.00 C ATOM 574 OG SER A 28 0.976 8.876 -3.827 1.00 0.00 O ATOM 0 H SER A 28 0.042 6.744 -3.149 1.00 0.00 H new ATOM 0 HA SER A 28 1.652 6.087 -5.547 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.417 8.497 -5.246 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.763 8.274 -5.783 1.00 0.00 H new ATOM 0 HG SER A 28 0.043 9.137 -3.973 1.00 0.00 H new ATOM 580 N TYR A 29 3.878 6.056 -4.392 1.00 0.00 N ATOM 581 CA TYR A 29 5.091 5.707 -3.674 1.00 0.00 C ATOM 582 C TYR A 29 6.202 6.711 -3.943 1.00 0.00 C ATOM 583 O TYR A 29 6.356 7.205 -5.063 1.00 0.00 O ATOM 584 CB TYR A 29 5.547 4.283 -4.018 1.00 0.00 C ATOM 585 CG TYR A 29 5.502 3.926 -5.493 1.00 0.00 C ATOM 586 CD1 TYR A 29 6.530 4.289 -6.357 1.00 0.00 C ATOM 587 CD2 TYR A 29 4.437 3.199 -6.013 1.00 0.00 C ATOM 588 CE1 TYR A 29 6.495 3.940 -7.694 1.00 0.00 C ATOM 589 CE2 TYR A 29 4.394 2.850 -7.350 1.00 0.00 C ATOM 590 CZ TYR A 29 5.425 3.221 -8.186 1.00 0.00 C ATOM 591 OH TYR A 29 5.394 2.864 -9.517 1.00 0.00 O ATOM 0 H TYR A 29 3.974 6.069 -5.407 1.00 0.00 H new ATOM 0 HA TYR A 29 4.862 5.740 -2.609 1.00 0.00 H new ATOM 0 HB2 TYR A 29 6.568 4.150 -3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.922 3.577 -3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 29 7.369 4.853 -5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.629 2.902 -5.361 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.302 4.229 -8.351 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.556 2.289 -7.738 1.00 0.00 H new ATOM 0 HH TYR A 29 4.574 2.361 -9.702 1.00 0.00 H new ATOM 601 N TYR A 30 6.960 7.020 -2.903 1.00 0.00 N ATOM 602 CA TYR A 30 8.049 7.977 -2.997 1.00 0.00 C ATOM 603 C TYR A 30 9.330 7.378 -2.436 1.00 0.00 C ATOM 604 O TYR A 30 9.308 6.311 -1.816 1.00 0.00 O ATOM 605 CB TYR A 30 7.704 9.256 -2.233 1.00 0.00 C ATOM 606 CG TYR A 30 6.442 9.936 -2.718 1.00 0.00 C ATOM 607 CD1 TYR A 30 6.488 10.879 -3.734 1.00 0.00 C ATOM 608 CD2 TYR A 30 5.207 9.637 -2.157 1.00 0.00 C ATOM 609 CE1 TYR A 30 5.340 11.503 -4.177 1.00 0.00 C ATOM 610 CE2 TYR A 30 4.054 10.258 -2.597 1.00 0.00 C ATOM 611 CZ TYR A 30 4.126 11.191 -3.608 1.00 0.00 C ATOM 612 OH TYR A 30 2.981 11.811 -4.056 1.00 0.00 O ATOM 0 H TYR A 30 6.838 6.616 -1.974 1.00 0.00 H new ATOM 0 HA TYR A 30 8.199 8.221 -4.049 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.593 9.017 -1.175 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.537 9.954 -2.317 1.00 0.00 H new ATOM 0 HD1 TYR A 30 7.437 11.129 -4.185 1.00 0.00 H new ATOM 0 HD2 TYR A 30 5.147 8.907 -1.364 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.394 12.235 -4.969 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.101 10.013 -2.151 1.00 0.00 H new ATOM 0 HH TYR A 30 2.857 11.619 -5.009 1.00 0.00 H new ATOM 622 N ASP A 31 10.439 8.063 -2.646 1.00 0.00 N ATOM 623 CA ASP A 31 11.717 7.612 -2.114 1.00 0.00 C ATOM 624 C ASP A 31 11.808 7.910 -0.621 1.00 0.00 C ATOM 625 O ASP A 31 12.296 7.092 0.161 1.00 0.00 O ATOM 626 CB ASP A 31 12.862 8.300 -2.857 1.00 0.00 C ATOM 627 CG ASP A 31 14.216 8.034 -2.232 1.00 0.00 C ATOM 628 OD1 ASP A 31 14.607 8.789 -1.318 1.00 0.00 O ATOM 629 OD2 ASP A 31 14.893 7.069 -2.654 1.00 0.00 O ATOM 0 H ASP A 31 10.484 8.931 -3.179 1.00 0.00 H new ATOM 0 HA ASP A 31 11.795 6.534 -2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.873 7.960 -3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.682 9.375 -2.877 1.00 0.00 H new ATOM 634 N SER A 32 11.288 9.069 -0.238 1.00 0.00 N ATOM 635 CA SER A 32 11.332 9.529 1.143 1.00 0.00 C ATOM 636 C SER A 32 10.125 10.422 1.427 1.00 0.00 C ATOM 637 O SER A 32 9.288 10.624 0.548 1.00 0.00 O ATOM 638 CB SER A 32 12.629 10.307 1.410 1.00 0.00 C ATOM 639 OG SER A 32 13.780 9.510 1.174 1.00 0.00 O ATOM 0 H SER A 32 10.824 9.716 -0.876 1.00 0.00 H new ATOM 0 HA SER A 32 11.305 8.661 1.802 1.00 0.00 H new ATOM 0 HB2 SER A 32 12.661 11.190 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 32 12.636 10.659 2.442 1.00 0.00 H new ATOM 0 HG SER A 32 13.899 9.385 0.209 1.00 0.00 H new ATOM 645 N GLN A 33 10.036 10.964 2.636 1.00 0.00 N ATOM 646 CA GLN A 33 8.933 11.857 2.979 1.00 0.00 C ATOM 647 C GLN A 33 9.051 13.164 2.198 1.00 0.00 C ATOM 648 O GLN A 33 8.087 13.625 1.589 1.00 0.00 O ATOM 649 CB GLN A 33 8.913 12.139 4.482 1.00 0.00 C ATOM 650 CG GLN A 33 7.658 12.863 4.946 1.00 0.00 C ATOM 651 CD GLN A 33 7.669 13.160 6.433 1.00 0.00 C ATOM 652 OE1 GLN A 33 8.283 12.437 7.217 1.00 0.00 O ATOM 653 NE2 GLN A 33 6.987 14.222 6.834 1.00 0.00 N ATOM 0 H GLN A 33 10.706 10.804 3.389 1.00 0.00 H new ATOM 0 HA GLN A 33 7.997 11.368 2.709 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.000 11.196 5.022 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.786 12.737 4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.558 13.797 4.394 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.784 12.256 4.707 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.491 14.797 6.153 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.958 14.465 7.824 1.00 0.00 H new ATOM 662 N ASP A 34 10.248 13.742 2.209 1.00 0.00 N ATOM 663 CA ASP A 34 10.538 14.972 1.464 1.00 0.00 C ATOM 664 C ASP A 34 10.302 14.782 -0.035 1.00 0.00 C ATOM 665 O ASP A 34 9.987 15.725 -0.762 1.00 0.00 O ATOM 666 CB ASP A 34 11.989 15.386 1.706 1.00 0.00 C ATOM 667 CG ASP A 34 12.333 16.733 1.105 1.00 0.00 C ATOM 668 OD1 ASP A 34 12.587 16.801 -0.114 1.00 0.00 O ATOM 669 OD2 ASP A 34 12.372 17.727 1.861 1.00 0.00 O ATOM 0 H ASP A 34 11.044 13.376 2.731 1.00 0.00 H new ATOM 0 HA ASP A 34 9.864 15.752 1.818 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.178 15.415 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 34 12.651 14.628 1.287 1.00 0.00 H new ATOM 674 N ASP A 35 10.426 13.539 -0.480 1.00 0.00 N ATOM 675 CA ASP A 35 10.311 13.198 -1.895 1.00 0.00 C ATOM 676 C ASP A 35 8.871 13.375 -2.383 1.00 0.00 C ATOM 677 O ASP A 35 8.611 13.435 -3.581 1.00 0.00 O ATOM 678 CB ASP A 35 10.788 11.759 -2.107 1.00 0.00 C ATOM 679 CG ASP A 35 10.937 11.380 -3.567 1.00 0.00 C ATOM 680 OD1 ASP A 35 11.755 12.015 -4.267 1.00 0.00 O ATOM 681 OD2 ASP A 35 10.265 10.427 -4.004 1.00 0.00 O ATOM 0 H ASP A 35 10.609 12.739 0.126 1.00 0.00 H new ATOM 0 HA ASP A 35 10.938 13.872 -2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.746 11.625 -1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.082 11.077 -1.633 1.00 0.00 H new ATOM 686 N VAL A 36 7.945 13.502 -1.437 1.00 0.00 N ATOM 687 CA VAL A 36 6.536 13.717 -1.754 1.00 0.00 C ATOM 688 C VAL A 36 6.331 15.068 -2.436 1.00 0.00 C ATOM 689 O VAL A 36 5.503 15.208 -3.340 1.00 0.00 O ATOM 690 CB VAL A 36 5.651 13.643 -0.485 1.00 0.00 C ATOM 691 CG1 VAL A 36 4.217 14.044 -0.793 1.00 0.00 C ATOM 692 CG2 VAL A 36 5.691 12.244 0.109 1.00 0.00 C ATOM 0 H VAL A 36 8.147 13.459 -0.438 1.00 0.00 H new ATOM 0 HA VAL A 36 6.236 12.921 -2.435 1.00 0.00 H new ATOM 0 HB VAL A 36 6.050 14.347 0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.619 13.983 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.198 15.066 -1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.805 13.371 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.064 12.209 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.321 11.527 -0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 36 6.717 11.992 0.377 1.00 0.00 H new ATOM 702 N CYS A 37 7.110 16.058 -2.020 1.00 0.00 N ATOM 703 CA CYS A 37 6.992 17.405 -2.555 1.00 0.00 C ATOM 704 C CYS A 37 7.525 17.479 -3.985 1.00 0.00 C ATOM 705 O CYS A 37 7.258 18.434 -4.716 1.00 0.00 O ATOM 706 CB CYS A 37 7.764 18.363 -1.659 1.00 0.00 C ATOM 707 SG CYS A 37 7.094 18.491 0.016 1.00 0.00 S ATOM 0 H CYS A 37 7.834 15.951 -1.309 1.00 0.00 H new ATOM 0 HA CYS A 37 5.939 17.684 -2.578 1.00 0.00 H new ATOM 0 HB2 CYS A 37 8.802 18.036 -1.602 1.00 0.00 H new ATOM 0 HB3 CYS A 37 7.766 19.352 -2.117 1.00 0.00 H new ATOM 0 HG CYS A 37 7.813 19.324 0.708 1.00 0.00 H new ATOM 713 N LYS A 38 8.291 16.470 -4.370 1.00 0.00 N ATOM 714 CA LYS A 38 8.866 16.413 -5.701 1.00 0.00 C ATOM 715 C LYS A 38 7.817 16.022 -6.738 1.00 0.00 C ATOM 716 O LYS A 38 7.964 16.308 -7.928 1.00 0.00 O ATOM 717 CB LYS A 38 10.035 15.425 -5.743 1.00 0.00 C ATOM 718 CG LYS A 38 11.000 15.559 -4.573 1.00 0.00 C ATOM 719 CD LYS A 38 11.388 17.003 -4.333 1.00 0.00 C ATOM 720 CE LYS A 38 12.817 17.119 -3.839 1.00 0.00 C ATOM 721 NZ LYS A 38 13.058 16.307 -2.621 1.00 0.00 N ATOM 0 H LYS A 38 8.529 15.677 -3.775 1.00 0.00 H new ATOM 0 HA LYS A 38 9.236 17.409 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 38 9.639 14.410 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 38 10.585 15.568 -6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.540 15.151 -3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.895 14.969 -4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.274 17.570 -5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.712 17.446 -3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 38 13.499 16.799 -4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.042 18.164 -3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 14.043 16.431 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 12.415 16.616 -1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 12.886 15.304 -2.833 1.00 0.00 H new ATOM 735 N GLY A 39 6.755 15.376 -6.275 1.00 0.00 N ATOM 736 CA GLY A 39 5.702 14.941 -7.168 1.00 0.00 C ATOM 737 C GLY A 39 5.929 13.528 -7.654 1.00 0.00 C ATOM 738 O GLY A 39 6.968 13.229 -8.237 1.00 0.00 O ATOM 0 H GLY A 39 6.605 15.145 -5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.742 14.999 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.648 15.615 -8.023 1.00 0.00 H new ATOM 742 N SER A 40 4.968 12.657 -7.414 1.00 0.00 N ATOM 743 CA SER A 40 5.097 11.261 -7.797 1.00 0.00 C ATOM 744 C SER A 40 4.879 11.056 -9.290 1.00 0.00 C ATOM 745 O SER A 40 3.939 11.593 -9.878 1.00 0.00 O ATOM 746 CB SER A 40 4.110 10.411 -7.009 1.00 0.00 C ATOM 747 OG SER A 40 2.863 11.077 -6.869 1.00 0.00 O ATOM 0 H SER A 40 4.087 12.890 -6.955 1.00 0.00 H new ATOM 0 HA SER A 40 6.116 10.951 -7.566 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.962 9.457 -7.514 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.521 10.190 -6.024 1.00 0.00 H new ATOM 0 HG SER A 40 2.636 11.527 -7.710 1.00 0.00 H new ATOM 753 N LYS A 41 5.755 10.269 -9.892 1.00 0.00 N ATOM 754 CA LYS A 41 5.602 9.882 -11.284 1.00 0.00 C ATOM 755 C LYS A 41 4.980 8.496 -11.355 1.00 0.00 C ATOM 756 O LYS A 41 4.297 8.149 -12.319 1.00 0.00 O ATOM 757 CB LYS A 41 6.943 9.894 -12.025 1.00 0.00 C ATOM 758 CG LYS A 41 7.403 11.282 -12.431 1.00 0.00 C ATOM 759 CD LYS A 41 7.850 12.101 -11.236 1.00 0.00 C ATOM 760 CE LYS A 41 7.691 13.580 -11.505 1.00 0.00 C ATOM 761 NZ LYS A 41 8.168 14.401 -10.364 1.00 0.00 N ATOM 0 H LYS A 41 6.583 9.884 -9.436 1.00 0.00 H new ATOM 0 HA LYS A 41 4.951 10.608 -11.771 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.703 9.440 -11.389 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.861 9.273 -12.917 1.00 0.00 H new ATOM 0 HG2 LYS A 41 8.225 11.199 -13.142 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.591 11.799 -12.942 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.265 11.822 -10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.892 11.879 -11.007 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.247 13.848 -12.403 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.642 13.803 -11.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.649 15.302 -10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 8.005 13.887 -9.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 9.185 14.590 -10.473 1.00 0.00 H new ATOM 775 N GLY A 42 5.221 7.718 -10.307 1.00 0.00 N ATOM 776 CA GLY A 42 4.680 6.380 -10.220 1.00 0.00 C ATOM 777 C GLY A 42 3.618 6.268 -9.149 1.00 0.00 C ATOM 778 O GLY A 42 3.863 6.582 -7.981 1.00 0.00 O ATOM 0 H GLY A 42 5.789 7.997 -9.507 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.255 6.097 -11.183 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.485 5.676 -10.008 1.00 0.00 H new ATOM 782 N SER A 43 2.436 5.831 -9.544 1.00 0.00 N ATOM 783 CA SER A 43 1.333 5.670 -8.616 1.00 0.00 C ATOM 784 C SER A 43 0.579 4.378 -8.890 1.00 0.00 C ATOM 785 O SER A 43 0.671 3.809 -9.978 1.00 0.00 O ATOM 786 CB SER A 43 0.386 6.868 -8.711 1.00 0.00 C ATOM 787 OG SER A 43 0.060 7.156 -10.062 1.00 0.00 O ATOM 0 H SER A 43 2.215 5.580 -10.508 1.00 0.00 H new ATOM 0 HA SER A 43 1.739 5.619 -7.606 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.525 6.660 -8.150 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.851 7.740 -8.252 1.00 0.00 H new ATOM 0 HG SER A 43 -0.547 7.924 -10.095 1.00 0.00 H new ATOM 793 N ILE A 44 -0.144 3.914 -7.887 1.00 0.00 N ATOM 794 CA ILE A 44 -0.971 2.733 -8.010 1.00 0.00 C ATOM 795 C ILE A 44 -2.439 3.122 -7.906 1.00 0.00 C ATOM 796 O ILE A 44 -2.873 3.695 -6.908 1.00 0.00 O ATOM 797 CB ILE A 44 -0.641 1.696 -6.915 1.00 0.00 C ATOM 798 CG1 ILE A 44 0.829 1.265 -7.007 1.00 0.00 C ATOM 799 CG2 ILE A 44 -1.566 0.495 -7.035 1.00 0.00 C ATOM 800 CD1 ILE A 44 1.253 0.310 -5.910 1.00 0.00 C ATOM 0 H ILE A 44 -0.173 4.348 -6.964 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.769 2.282 -8.982 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.797 2.155 -5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 44 1.000 0.792 -7.974 1.00 0.00 H new ATOM 0 HG13 ILE A 44 1.462 2.152 -6.969 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.324 -0.230 -6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.600 0.819 -6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.438 0.033 -8.014 1.00 0.00 H new ATOM 0 HD11 ILE A 44 2.303 0.050 -6.040 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.115 0.786 -4.939 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.646 -0.594 -5.960 1.00 0.00 H new ATOM 812 N LYS A 45 -3.191 2.822 -8.942 1.00 0.00 N ATOM 813 CA LYS A 45 -4.607 3.132 -8.978 1.00 0.00 C ATOM 814 C LYS A 45 -5.394 2.038 -8.276 1.00 0.00 C ATOM 815 O LYS A 45 -5.409 0.896 -8.726 1.00 0.00 O ATOM 816 CB LYS A 45 -5.062 3.282 -10.434 1.00 0.00 C ATOM 817 CG LYS A 45 -6.552 3.084 -10.638 1.00 0.00 C ATOM 818 CD LYS A 45 -6.945 3.253 -12.096 1.00 0.00 C ATOM 819 CE LYS A 45 -6.681 4.668 -12.579 1.00 0.00 C ATOM 820 NZ LYS A 45 -7.050 4.859 -14.008 1.00 0.00 N ATOM 0 H LYS A 45 -2.842 2.358 -9.781 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.789 4.072 -8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.786 4.275 -10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.523 2.561 -11.049 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.837 2.089 -10.297 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.102 3.800 -10.027 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.386 2.547 -12.710 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.002 3.016 -12.220 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.245 5.370 -11.964 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.625 4.904 -12.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.851 5.840 -14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.494 4.209 -14.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.063 4.661 -14.134 1.00 0.00 H new ATOM 834 N MET A 46 -6.044 2.391 -7.171 1.00 0.00 N ATOM 835 CA MET A 46 -6.804 1.419 -6.392 1.00 0.00 C ATOM 836 C MET A 46 -7.981 0.878 -7.195 1.00 0.00 C ATOM 837 O MET A 46 -8.367 -0.267 -7.036 1.00 0.00 O ATOM 838 CB MET A 46 -7.320 2.022 -5.083 1.00 0.00 C ATOM 839 CG MET A 46 -6.230 2.407 -4.087 1.00 0.00 C ATOM 840 SD MET A 46 -6.555 1.771 -2.438 1.00 0.00 S ATOM 841 CE MET A 46 -6.442 0.017 -2.761 1.00 0.00 C ATOM 0 H MET A 46 -6.060 3.339 -6.796 1.00 0.00 H new ATOM 0 HA MET A 46 -6.122 0.602 -6.154 1.00 0.00 H new ATOM 0 HB2 MET A 46 -7.911 2.908 -5.315 1.00 0.00 H new ATOM 0 HB3 MET A 46 -7.991 1.306 -4.608 1.00 0.00 H new ATOM 0 HG2 MET A 46 -5.270 2.027 -4.438 1.00 0.00 H new ATOM 0 HG3 MET A 46 -6.147 3.493 -4.045 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.140 -0.502 -1.851 1.00 0.00 H new ATOM 0 HE2 MET A 46 -7.413 -0.356 -3.087 1.00 0.00 H new ATOM 0 HE3 MET A 46 -5.704 -0.162 -3.543 1.00 0.00 H new ATOM 851 N ALA A 47 -8.530 1.703 -8.079 1.00 0.00 N ATOM 852 CA ALA A 47 -9.683 1.303 -8.884 1.00 0.00 C ATOM 853 C ALA A 47 -9.337 0.186 -9.867 1.00 0.00 C ATOM 854 O ALA A 47 -10.227 -0.437 -10.446 1.00 0.00 O ATOM 855 CB ALA A 47 -10.245 2.501 -9.627 1.00 0.00 C ATOM 0 H ALA A 47 -8.198 2.651 -8.258 1.00 0.00 H new ATOM 0 HA ALA A 47 -10.439 0.914 -8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -11.103 2.190 -10.223 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.557 3.260 -8.910 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.479 2.915 -10.283 1.00 0.00 H new ATOM 861 N VAL A 48 -8.045 -0.056 -10.059 1.00 0.00 N ATOM 862 CA VAL A 48 -7.589 -1.100 -10.965 1.00 0.00 C ATOM 863 C VAL A 48 -6.653 -2.066 -10.232 1.00 0.00 C ATOM 864 O VAL A 48 -6.143 -3.026 -10.807 1.00 0.00 O ATOM 865 CB VAL A 48 -6.872 -0.484 -12.191 1.00 0.00 C ATOM 866 CG1 VAL A 48 -5.507 0.067 -11.811 1.00 0.00 C ATOM 867 CG2 VAL A 48 -6.753 -1.479 -13.329 1.00 0.00 C ATOM 0 H VAL A 48 -7.295 0.459 -9.598 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.459 -1.654 -11.318 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.487 0.345 -12.540 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.028 0.493 -12.693 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.625 0.841 -11.053 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.887 -0.737 -11.415 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.244 -1.010 -14.171 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.181 -2.345 -12.997 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.748 -1.798 -13.639 1.00 0.00 H new ATOM 877 N CYS A 49 -6.444 -1.800 -8.951 1.00 0.00 N ATOM 878 CA CYS A 49 -5.546 -2.597 -8.137 1.00 0.00 C ATOM 879 C CYS A 49 -6.238 -3.027 -6.856 1.00 0.00 C ATOM 880 O CYS A 49 -6.711 -2.196 -6.083 1.00 0.00 O ATOM 881 CB CYS A 49 -4.286 -1.802 -7.799 1.00 0.00 C ATOM 882 SG CYS A 49 -3.165 -2.643 -6.655 1.00 0.00 S ATOM 0 H CYS A 49 -6.890 -1.030 -8.452 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.264 -3.484 -8.705 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.749 -1.584 -8.722 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.578 -0.845 -7.366 1.00 0.00 H new ATOM 0 HG CYS A 49 -1.941 -2.278 -6.899 1.00 0.00 H new ATOM 888 N GLU A 50 -6.265 -4.318 -6.616 1.00 0.00 N ATOM 889 CA GLU A 50 -6.934 -4.843 -5.448 1.00 0.00 C ATOM 890 C GLU A 50 -5.983 -4.879 -4.259 1.00 0.00 C ATOM 891 O GLU A 50 -4.826 -5.285 -4.382 1.00 0.00 O ATOM 892 CB GLU A 50 -7.479 -6.246 -5.721 1.00 0.00 C ATOM 893 CG GLU A 50 -8.517 -6.299 -6.831 1.00 0.00 C ATOM 894 CD GLU A 50 -9.106 -7.683 -7.010 1.00 0.00 C ATOM 895 OE1 GLU A 50 -9.858 -8.128 -6.121 1.00 0.00 O ATOM 896 OE2 GLU A 50 -8.809 -8.333 -8.034 1.00 0.00 O ATOM 0 H GLU A 50 -5.832 -5.023 -7.213 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.769 -4.183 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.649 -6.903 -5.981 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.921 -6.638 -4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.317 -5.593 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.060 -5.979 -7.767 1.00 0.00 H new ATOM 903 N ILE A 51 -6.475 -4.424 -3.121 1.00 0.00 N ATOM 904 CA ILE A 51 -5.760 -4.543 -1.861 1.00 0.00 C ATOM 905 C ILE A 51 -6.311 -5.740 -1.112 1.00 0.00 C ATOM 906 O ILE A 51 -7.499 -5.803 -0.798 1.00 0.00 O ATOM 907 CB ILE A 51 -5.901 -3.260 -1.002 1.00 0.00 C ATOM 908 CG1 ILE A 51 -5.456 -3.488 0.453 1.00 0.00 C ATOM 909 CG2 ILE A 51 -7.336 -2.754 -1.035 1.00 0.00 C ATOM 910 CD1 ILE A 51 -3.978 -3.760 0.628 1.00 0.00 C ATOM 0 H ILE A 51 -7.381 -3.962 -3.043 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.698 -4.677 -2.065 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.242 -2.507 -1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.722 -2.610 1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.017 -4.328 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.418 -1.853 -0.427 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.618 -2.525 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -8.001 -3.521 -0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.758 -3.908 1.685 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.705 -4.657 0.072 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.405 -2.912 0.253 1.00 0.00 H new ATOM 922 N LYS A 52 -5.460 -6.701 -0.846 1.00 0.00 N ATOM 923 CA LYS A 52 -5.928 -7.955 -0.305 1.00 0.00 C ATOM 924 C LYS A 52 -6.042 -7.860 1.207 1.00 0.00 C ATOM 925 O LYS A 52 -5.045 -7.822 1.928 1.00 0.00 O ATOM 926 CB LYS A 52 -4.989 -9.087 -0.729 1.00 0.00 C ATOM 927 CG LYS A 52 -4.659 -9.058 -2.219 1.00 0.00 C ATOM 928 CD LYS A 52 -5.899 -9.194 -3.091 1.00 0.00 C ATOM 929 CE LYS A 52 -6.086 -10.622 -3.588 1.00 0.00 C ATOM 930 NZ LYS A 52 -4.964 -11.065 -4.463 1.00 0.00 N ATOM 0 H LYS A 52 -4.452 -6.642 -0.993 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.920 -8.175 -0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.064 -9.019 -0.156 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.448 -10.044 -0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.151 -8.124 -2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.965 -9.866 -2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.778 -8.888 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.820 -8.520 -3.944 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.166 -11.295 -2.734 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.024 -10.693 -4.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.691 -12.036 -4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.267 -11.037 -5.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.150 -10.431 -4.331 1.00 0.00 H new ATOM 944 N VAL A 53 -7.283 -7.808 1.666 1.00 0.00 N ATOM 945 CA VAL A 53 -7.602 -7.722 3.078 1.00 0.00 C ATOM 946 C VAL A 53 -8.734 -8.690 3.381 1.00 0.00 C ATOM 947 O VAL A 53 -9.873 -8.468 2.969 1.00 0.00 O ATOM 948 CB VAL A 53 -8.017 -6.281 3.484 1.00 0.00 C ATOM 949 CG1 VAL A 53 -8.434 -6.229 4.947 1.00 0.00 C ATOM 950 CG2 VAL A 53 -6.879 -5.301 3.219 1.00 0.00 C ATOM 0 H VAL A 53 -8.104 -7.825 1.060 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.714 -7.982 3.654 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.873 -5.991 2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -8.720 -5.210 5.208 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -9.281 -6.896 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -7.600 -6.544 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.188 -4.297 3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.004 -5.594 3.800 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.630 -5.311 2.158 1.00 0.00 H new ATOM 960 N HIS A 54 -8.421 -9.777 4.070 1.00 0.00 N ATOM 961 CA HIS A 54 -9.407 -10.821 4.307 1.00 0.00 C ATOM 962 C HIS A 54 -9.363 -11.300 5.753 1.00 0.00 C ATOM 963 O HIS A 54 -10.388 -11.337 6.431 1.00 0.00 O ATOM 964 CB HIS A 54 -9.175 -11.995 3.345 1.00 0.00 C ATOM 965 CG HIS A 54 -10.258 -13.033 3.361 1.00 0.00 C ATOM 966 ND1 HIS A 54 -10.017 -14.365 3.118 1.00 0.00 N ATOM 967 CD2 HIS A 54 -11.596 -12.925 3.555 1.00 0.00 C ATOM 968 CE1 HIS A 54 -11.154 -15.032 3.160 1.00 0.00 C ATOM 969 NE2 HIS A 54 -12.128 -14.182 3.424 1.00 0.00 N ATOM 0 H HIS A 54 -7.501 -9.959 4.472 1.00 0.00 H new ATOM 0 HA HIS A 54 -10.397 -10.404 4.123 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -9.078 -11.605 2.332 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -8.228 -12.472 3.595 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -12.141 -12.018 3.772 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.268 -16.095 3.005 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -13.115 -14.421 3.516 1.00 0.00 H new ATOM 978 N SER A 55 -8.178 -11.670 6.219 1.00 0.00 N ATOM 979 CA SER A 55 -8.014 -12.191 7.574 1.00 0.00 C ATOM 980 C SER A 55 -6.579 -11.993 8.057 1.00 0.00 C ATOM 981 O SER A 55 -5.794 -11.312 7.392 1.00 0.00 O ATOM 982 CB SER A 55 -8.383 -13.675 7.612 1.00 0.00 C ATOM 983 OG SER A 55 -9.721 -13.876 7.187 1.00 0.00 O ATOM 0 H SER A 55 -7.314 -11.620 5.680 1.00 0.00 H new ATOM 0 HA SER A 55 -8.680 -11.642 8.240 1.00 0.00 H new ATOM 0 HB2 SER A 55 -7.705 -14.239 6.971 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.257 -14.059 8.624 1.00 0.00 H new ATOM 0 HG SER A 55 -9.934 -14.832 7.218 1.00 0.00 H new ATOM 989 N ALA A 56 -6.257 -12.589 9.214 1.00 0.00 N ATOM 990 CA ALA A 56 -4.921 -12.502 9.811 1.00 0.00 C ATOM 991 C ALA A 56 -4.616 -11.077 10.270 1.00 0.00 C ATOM 992 O ALA A 56 -4.101 -10.256 9.506 1.00 0.00 O ATOM 993 CB ALA A 56 -3.858 -13.005 8.842 1.00 0.00 C ATOM 0 H ALA A 56 -6.916 -13.144 9.760 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.904 -13.145 10.691 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.876 -12.930 9.309 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.061 -14.045 8.588 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.876 -12.400 7.936 1.00 0.00 H new ATOM 999 N ASP A 57 -4.933 -10.792 11.527 1.00 0.00 N ATOM 1000 CA ASP A 57 -4.770 -9.452 12.076 1.00 0.00 C ATOM 1001 C ASP A 57 -3.324 -9.167 12.458 1.00 0.00 C ATOM 1002 O ASP A 57 -2.970 -9.105 13.635 1.00 0.00 O ATOM 1003 CB ASP A 57 -5.699 -9.237 13.271 1.00 0.00 C ATOM 1004 CG ASP A 57 -7.137 -9.028 12.841 1.00 0.00 C ATOM 1005 OD1 ASP A 57 -7.488 -7.883 12.478 1.00 0.00 O ATOM 1006 OD2 ASP A 57 -7.913 -10.005 12.848 1.00 0.00 O ATOM 0 H ASP A 57 -5.306 -11.474 12.187 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.045 -8.745 11.293 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.641 -10.099 13.935 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.362 -8.372 13.842 1.00 0.00 H new ATOM 1011 N ASN A 58 -2.497 -9.006 11.437 1.00 0.00 N ATOM 1012 CA ASN A 58 -1.109 -8.596 11.596 1.00 0.00 C ATOM 1013 C ASN A 58 -0.623 -8.051 10.256 1.00 0.00 C ATOM 1014 O ASN A 58 -1.313 -8.205 9.254 1.00 0.00 O ATOM 1015 CB ASN A 58 -0.243 -9.772 12.074 1.00 0.00 C ATOM 1016 CG ASN A 58 1.172 -9.361 12.454 1.00 0.00 C ATOM 1017 OD1 ASN A 58 2.077 -9.343 11.617 1.00 0.00 O ATOM 1018 ND2 ASN A 58 1.374 -9.040 13.723 1.00 0.00 N ATOM 0 H ASN A 58 -2.772 -9.157 10.466 1.00 0.00 H new ATOM 0 HA ASN A 58 -1.029 -7.820 12.357 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -0.721 -10.241 12.934 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -0.197 -10.524 11.286 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.305 -8.766 14.038 1.00 0.00 H new ATOM 0 HD22 ASN A 58 0.599 -9.067 14.386 1.00 0.00 H new ATOM 1025 N THR A 59 0.538 -7.412 10.245 1.00 0.00 N ATOM 1026 CA THR A 59 1.054 -6.727 9.060 1.00 0.00 C ATOM 1027 C THR A 59 1.216 -7.664 7.860 1.00 0.00 C ATOM 1028 O THR A 59 2.250 -8.316 7.713 1.00 0.00 O ATOM 1029 CB THR A 59 2.417 -6.106 9.379 1.00 0.00 C ATOM 1030 OG1 THR A 59 3.256 -7.081 10.011 1.00 0.00 O ATOM 1031 CG2 THR A 59 2.253 -4.919 10.292 1.00 0.00 C ATOM 0 H THR A 59 1.153 -7.352 11.057 1.00 0.00 H new ATOM 0 HA THR A 59 0.325 -5.962 8.794 1.00 0.00 H new ATOM 0 HB THR A 59 2.876 -5.775 8.447 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.241 -7.911 9.491 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.231 -4.489 10.509 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.627 -4.170 9.806 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.782 -5.238 11.222 1.00 0.00 H new ATOM 1039 N ARG A 60 0.191 -7.743 7.021 1.00 0.00 N ATOM 1040 CA ARG A 60 0.251 -8.550 5.816 1.00 0.00 C ATOM 1041 C ARG A 60 -0.856 -8.171 4.828 1.00 0.00 C ATOM 1042 O ARG A 60 -2.007 -8.583 4.971 1.00 0.00 O ATOM 1043 CB ARG A 60 0.163 -10.025 6.205 1.00 0.00 C ATOM 1044 CG ARG A 60 -1.048 -10.368 7.059 1.00 0.00 C ATOM 1045 CD ARG A 60 -0.716 -11.460 8.056 1.00 0.00 C ATOM 1046 NE ARG A 60 -0.181 -12.658 7.408 1.00 0.00 N ATOM 1047 CZ ARG A 60 0.410 -13.661 8.060 1.00 0.00 C ATOM 1048 NH1 ARG A 60 0.522 -13.625 9.382 1.00 0.00 N ATOM 1049 NH2 ARG A 60 0.888 -14.699 7.389 1.00 0.00 N ATOM 0 H ARG A 60 -0.694 -7.255 7.157 1.00 0.00 H new ATOM 0 HA ARG A 60 1.198 -8.363 5.309 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.138 -10.629 5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.067 -10.302 6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.388 -9.478 7.588 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -1.869 -10.692 6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.011 -11.083 8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.613 -11.722 8.617 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.265 -12.731 6.394 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.156 -12.829 9.903 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.974 -14.394 9.877 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.804 -14.732 6.373 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.340 -15.465 7.889 1.00 0.00 H new ATOM 1063 N MET A 61 -0.511 -7.356 3.838 1.00 0.00 N ATOM 1064 CA MET A 61 -1.463 -6.972 2.802 1.00 0.00 C ATOM 1065 C MET A 61 -0.800 -7.064 1.432 1.00 0.00 C ATOM 1066 O MET A 61 0.415 -6.905 1.316 1.00 0.00 O ATOM 1067 CB MET A 61 -1.991 -5.548 3.032 1.00 0.00 C ATOM 1068 CG MET A 61 -2.334 -5.249 4.479 1.00 0.00 C ATOM 1069 SD MET A 61 -0.973 -4.481 5.377 1.00 0.00 S ATOM 1070 CE MET A 61 -1.114 -2.802 4.770 1.00 0.00 C ATOM 0 H MET A 61 0.418 -6.949 3.731 1.00 0.00 H new ATOM 0 HA MET A 61 -2.309 -7.658 2.846 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.242 -4.833 2.691 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.879 -5.396 2.419 1.00 0.00 H new ATOM 0 HG2 MET A 61 -3.202 -4.591 4.513 1.00 0.00 H new ATOM 0 HG3 MET A 61 -2.616 -6.175 4.979 1.00 0.00 H new ATOM 0 HE1 MET A 61 -0.505 -2.140 5.386 1.00 0.00 H new ATOM 0 HE2 MET A 61 -0.767 -2.758 3.738 1.00 0.00 H new ATOM 0 HE3 MET A 61 -2.156 -2.485 4.817 1.00 0.00 H new ATOM 1080 N GLU A 62 -1.593 -7.323 0.406 1.00 0.00 N ATOM 1081 CA GLU A 62 -1.077 -7.473 -0.949 1.00 0.00 C ATOM 1082 C GLU A 62 -1.755 -6.490 -1.891 1.00 0.00 C ATOM 1083 O GLU A 62 -2.969 -6.295 -1.826 1.00 0.00 O ATOM 1084 CB GLU A 62 -1.301 -8.910 -1.432 1.00 0.00 C ATOM 1085 CG GLU A 62 -1.051 -9.119 -2.918 1.00 0.00 C ATOM 1086 CD GLU A 62 -1.359 -10.537 -3.355 1.00 0.00 C ATOM 1087 OE1 GLU A 62 -2.528 -10.811 -3.694 1.00 0.00 O ATOM 1088 OE2 GLU A 62 -0.441 -11.382 -3.355 1.00 0.00 O ATOM 0 H GLU A 62 -2.604 -7.435 0.484 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.008 -7.260 -0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.647 -9.576 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.326 -9.202 -1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -1.665 -8.423 -3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.010 -8.888 -3.146 1.00 0.00 H new ATOM 1095 N LEU A 63 -0.968 -5.855 -2.746 1.00 0.00 N ATOM 1096 CA LEU A 63 -1.499 -4.983 -3.776 1.00 0.00 C ATOM 1097 C LEU A 63 -1.331 -5.667 -5.126 1.00 0.00 C ATOM 1098 O LEU A 63 -0.213 -5.974 -5.544 1.00 0.00 O ATOM 1099 CB LEU A 63 -0.749 -3.638 -3.778 1.00 0.00 C ATOM 1100 CG LEU A 63 -1.216 -2.573 -2.772 1.00 0.00 C ATOM 1101 CD1 LEU A 63 -2.500 -1.901 -3.236 1.00 0.00 C ATOM 1102 CD2 LEU A 63 -1.400 -3.170 -1.387 1.00 0.00 C ATOM 0 H LEU A 63 0.049 -5.930 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.554 -4.789 -3.581 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.306 -3.839 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.821 -3.212 -4.779 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.436 -1.814 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.805 -1.153 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.331 -1.418 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.286 -2.649 -3.339 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.730 -2.394 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.149 -3.961 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.453 -3.584 -1.041 1.00 0.00 H new ATOM 1114 N ILE A 64 -2.432 -5.901 -5.811 1.00 0.00 N ATOM 1115 CA ILE A 64 -2.385 -6.581 -7.093 1.00 0.00 C ATOM 1116 C ILE A 64 -3.007 -5.722 -8.192 1.00 0.00 C ATOM 1117 O ILE A 64 -4.198 -5.417 -8.175 1.00 0.00 O ATOM 1118 CB ILE A 64 -3.053 -7.985 -7.018 1.00 0.00 C ATOM 1119 CG1 ILE A 64 -3.411 -8.516 -8.414 1.00 0.00 C ATOM 1120 CG2 ILE A 64 -4.272 -7.973 -6.106 1.00 0.00 C ATOM 1121 CD1 ILE A 64 -2.208 -8.771 -9.300 1.00 0.00 C ATOM 0 H ILE A 64 -3.367 -5.632 -5.505 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.337 -6.736 -7.348 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.322 -8.667 -6.585 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.974 -9.443 -8.306 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.068 -7.800 -8.907 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.714 -8.969 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.971 -7.680 -5.100 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -5.005 -7.262 -6.487 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.542 -9.144 -10.268 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.656 -7.842 -9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.560 -9.511 -8.830 1.00 0.00 H new ATOM 1133 N ILE A 65 -2.166 -5.342 -9.145 1.00 0.00 N ATOM 1134 CA ILE A 65 -2.551 -4.504 -10.262 1.00 0.00 C ATOM 1135 C ILE A 65 -2.012 -5.124 -11.552 1.00 0.00 C ATOM 1136 O ILE A 65 -0.804 -5.317 -11.693 1.00 0.00 O ATOM 1137 CB ILE A 65 -2.007 -3.058 -10.064 1.00 0.00 C ATOM 1138 CG1 ILE A 65 -1.794 -2.327 -11.392 1.00 0.00 C ATOM 1139 CG2 ILE A 65 -0.703 -3.082 -9.277 1.00 0.00 C ATOM 1140 CD1 ILE A 65 -3.033 -2.165 -12.243 1.00 0.00 C ATOM 0 H ILE A 65 -1.183 -5.614 -9.160 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.637 -4.442 -10.324 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.765 -2.511 -9.503 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.384 -1.339 -11.183 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.044 -2.867 -11.970 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.337 -2.063 -9.148 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.876 -3.532 -8.299 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.039 -3.668 -9.820 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.777 -1.636 -13.161 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.435 -3.147 -12.491 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.781 -1.595 -11.692 1.00 0.00 H new ATOM 1152 N PRO A 66 -2.902 -5.478 -12.490 1.00 0.00 N ATOM 1153 CA PRO A 66 -2.514 -6.109 -13.757 1.00 0.00 C ATOM 1154 C PRO A 66 -1.465 -5.299 -14.521 1.00 0.00 C ATOM 1155 O PRO A 66 -1.550 -4.072 -14.614 1.00 0.00 O ATOM 1156 CB PRO A 66 -3.826 -6.168 -14.544 1.00 0.00 C ATOM 1157 CG PRO A 66 -4.890 -6.159 -13.503 1.00 0.00 C ATOM 1158 CD PRO A 66 -4.364 -5.295 -12.393 1.00 0.00 C ATOM 0 HA PRO A 66 -2.053 -7.084 -13.598 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -3.923 -5.316 -15.217 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.880 -7.067 -15.158 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -5.824 -5.761 -13.901 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.099 -7.168 -13.148 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.649 -4.251 -12.525 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.746 -5.610 -11.422 1.00 0.00 H new ATOM 1166 N GLY A 67 -0.459 -5.993 -15.038 1.00 0.00 N ATOM 1167 CA GLY A 67 0.588 -5.344 -15.801 1.00 0.00 C ATOM 1168 C GLY A 67 1.809 -5.040 -14.958 1.00 0.00 C ATOM 1169 O GLY A 67 2.943 -5.277 -15.380 1.00 0.00 O ATOM 0 H GLY A 67 -0.350 -7.002 -14.941 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.876 -5.983 -16.636 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.203 -4.417 -16.227 1.00 0.00 H new ATOM 1173 N GLU A 68 1.581 -4.522 -13.762 1.00 0.00 N ATOM 1174 CA GLU A 68 2.676 -4.157 -12.876 1.00 0.00 C ATOM 1175 C GLU A 68 2.764 -5.140 -11.714 1.00 0.00 C ATOM 1176 O GLU A 68 3.646 -5.999 -11.697 1.00 0.00 O ATOM 1177 CB GLU A 68 2.491 -2.722 -12.371 1.00 0.00 C ATOM 1178 CG GLU A 68 2.243 -1.734 -13.500 1.00 0.00 C ATOM 1179 CD GLU A 68 2.383 -0.282 -13.086 1.00 0.00 C ATOM 1180 OE1 GLU A 68 2.711 -0.015 -11.912 1.00 0.00 O ATOM 1181 OE2 GLU A 68 2.178 0.597 -13.952 1.00 0.00 O ATOM 0 H GLU A 68 0.651 -4.345 -13.383 1.00 0.00 H new ATOM 0 HA GLU A 68 3.613 -4.204 -13.431 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.653 -2.691 -11.675 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.378 -2.419 -11.816 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.942 -1.940 -14.310 1.00 0.00 H new ATOM 0 HG3 GLU A 68 1.240 -1.894 -13.896 1.00 0.00 H new ATOM 1188 N GLN A 69 1.824 -5.012 -10.775 1.00 0.00 N ATOM 1189 CA GLN A 69 1.683 -5.905 -9.613 1.00 0.00 C ATOM 1190 C GLN A 69 3.018 -6.175 -8.911 1.00 0.00 C ATOM 1191 O GLN A 69 3.952 -5.377 -9.011 1.00 0.00 O ATOM 1192 CB GLN A 69 0.980 -7.214 -10.017 1.00 0.00 C ATOM 1193 CG GLN A 69 1.782 -8.129 -10.934 1.00 0.00 C ATOM 1194 CD GLN A 69 0.939 -9.217 -11.569 1.00 0.00 C ATOM 1195 OE1 GLN A 69 1.403 -10.335 -11.786 1.00 0.00 O ATOM 1196 NE2 GLN A 69 -0.295 -8.887 -11.909 1.00 0.00 N ATOM 0 H GLN A 69 1.123 -4.271 -10.798 1.00 0.00 H new ATOM 0 HA GLN A 69 1.057 -5.390 -8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.727 -7.766 -9.111 1.00 0.00 H new ATOM 0 HB3 GLN A 69 0.041 -6.965 -10.511 1.00 0.00 H new ATOM 0 HG2 GLN A 69 2.246 -7.532 -11.719 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.589 -8.589 -10.364 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.645 -7.949 -11.712 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.898 -9.570 -12.368 1.00 0.00 H new ATOM 1205 N HIS A 70 3.079 -7.281 -8.160 1.00 0.00 N ATOM 1206 CA HIS A 70 4.279 -7.645 -7.401 1.00 0.00 C ATOM 1207 C HIS A 70 4.492 -6.648 -6.257 1.00 0.00 C ATOM 1208 O HIS A 70 5.615 -6.393 -5.815 1.00 0.00 O ATOM 1209 CB HIS A 70 5.507 -7.722 -8.336 1.00 0.00 C ATOM 1210 CG HIS A 70 6.797 -8.125 -7.673 1.00 0.00 C ATOM 1211 ND1 HIS A 70 6.982 -9.333 -7.036 1.00 0.00 N ATOM 1212 CD2 HIS A 70 7.972 -7.459 -7.556 1.00 0.00 C ATOM 1213 CE1 HIS A 70 8.215 -9.393 -6.561 1.00 0.00 C ATOM 1214 NE2 HIS A 70 8.837 -8.267 -6.862 1.00 0.00 N ATOM 0 H HIS A 70 2.308 -7.941 -8.062 1.00 0.00 H new ATOM 0 HA HIS A 70 4.145 -8.634 -6.963 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.291 -8.432 -9.134 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.648 -6.748 -8.805 1.00 0.00 H new ATOM 0 HD2 HIS A 70 8.188 -6.473 -7.939 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.642 -10.223 -6.018 1.00 0.00 H new ATOM 0 HE2 HIS A 70 9.800 -8.037 -6.619 1.00 0.00 H new ATOM 1223 N PHE A 71 3.397 -6.086 -5.771 1.00 0.00 N ATOM 1224 CA PHE A 71 3.464 -5.175 -4.645 1.00 0.00 C ATOM 1225 C PHE A 71 2.905 -5.838 -3.397 1.00 0.00 C ATOM 1226 O PHE A 71 1.709 -6.091 -3.294 1.00 0.00 O ATOM 1227 CB PHE A 71 2.690 -3.887 -4.933 1.00 0.00 C ATOM 1228 CG PHE A 71 3.266 -3.059 -6.043 1.00 0.00 C ATOM 1229 CD1 PHE A 71 4.427 -2.324 -5.848 1.00 0.00 C ATOM 1230 CD2 PHE A 71 2.643 -3.009 -7.279 1.00 0.00 C ATOM 1231 CE1 PHE A 71 4.954 -1.557 -6.870 1.00 0.00 C ATOM 1232 CE2 PHE A 71 3.165 -2.243 -8.302 1.00 0.00 C ATOM 1233 CZ PHE A 71 4.321 -1.517 -8.098 1.00 0.00 C ATOM 0 H PHE A 71 2.458 -6.244 -6.137 1.00 0.00 H new ATOM 0 HA PHE A 71 4.511 -4.921 -4.481 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.660 -4.143 -5.183 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.658 -3.285 -4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 71 4.923 -2.352 -4.889 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.739 -3.576 -7.444 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.859 -0.990 -6.709 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.669 -2.212 -9.261 1.00 0.00 H new ATOM 0 HZ PHE A 71 4.731 -0.918 -8.898 1.00 0.00 H new ATOM 1243 N TYR A 72 3.781 -6.126 -2.459 1.00 0.00 N ATOM 1244 CA TYR A 72 3.369 -6.659 -1.176 1.00 0.00 C ATOM 1245 C TYR A 72 3.626 -5.610 -0.113 1.00 0.00 C ATOM 1246 O TYR A 72 4.603 -4.868 -0.204 1.00 0.00 O ATOM 1247 CB TYR A 72 4.126 -7.954 -0.863 1.00 0.00 C ATOM 1248 CG TYR A 72 3.605 -8.689 0.355 1.00 0.00 C ATOM 1249 CD1 TYR A 72 2.464 -9.479 0.277 1.00 0.00 C ATOM 1250 CD2 TYR A 72 4.254 -8.598 1.581 1.00 0.00 C ATOM 1251 CE1 TYR A 72 1.984 -10.153 1.385 1.00 0.00 C ATOM 1252 CE2 TYR A 72 3.781 -9.270 2.693 1.00 0.00 C ATOM 1253 CZ TYR A 72 2.646 -10.045 2.589 1.00 0.00 C ATOM 1254 OH TYR A 72 2.173 -10.716 3.694 1.00 0.00 O ATOM 0 H TYR A 72 4.788 -6.000 -2.560 1.00 0.00 H new ATOM 0 HA TYR A 72 2.306 -6.900 -1.199 1.00 0.00 H new ATOM 0 HB2 TYR A 72 4.068 -8.616 -1.727 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.180 -7.720 -0.711 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.943 -9.568 -0.665 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.144 -7.992 1.666 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.095 -10.761 1.307 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.298 -9.188 3.638 1.00 0.00 H new ATOM 0 HH TYR A 72 2.755 -10.534 4.461 1.00 0.00 H new ATOM 1264 N MET A 73 2.745 -5.526 0.868 1.00 0.00 N ATOM 1265 CA MET A 73 2.888 -4.537 1.919 1.00 0.00 C ATOM 1266 C MET A 73 2.960 -5.190 3.289 1.00 0.00 C ATOM 1267 O MET A 73 2.207 -6.117 3.598 1.00 0.00 O ATOM 1268 CB MET A 73 1.718 -3.547 1.906 1.00 0.00 C ATOM 1269 CG MET A 73 1.862 -2.412 0.903 1.00 0.00 C ATOM 1270 SD MET A 73 0.520 -1.210 1.042 1.00 0.00 S ATOM 1271 CE MET A 73 1.179 0.161 0.097 1.00 0.00 C ATOM 0 H MET A 73 1.927 -6.128 0.958 1.00 0.00 H new ATOM 0 HA MET A 73 3.819 -4.004 1.726 1.00 0.00 H new ATOM 0 HB2 MET A 73 0.800 -4.092 1.689 1.00 0.00 H new ATOM 0 HB3 MET A 73 1.608 -3.122 2.903 1.00 0.00 H new ATOM 0 HG2 MET A 73 2.816 -1.909 1.059 1.00 0.00 H new ATOM 0 HG3 MET A 73 1.879 -2.821 -0.107 1.00 0.00 H new ATOM 0 HE1 MET A 73 0.459 0.980 0.094 1.00 0.00 H new ATOM 0 HE2 MET A 73 2.112 0.499 0.549 1.00 0.00 H new ATOM 0 HE3 MET A 73 1.368 -0.160 -0.927 1.00 0.00 H new ATOM 1281 N LYS A 74 3.871 -4.697 4.105 1.00 0.00 N ATOM 1282 CA LYS A 74 3.902 -5.049 5.510 1.00 0.00 C ATOM 1283 C LYS A 74 4.160 -3.788 6.309 1.00 0.00 C ATOM 1284 O LYS A 74 5.187 -3.131 6.131 1.00 0.00 O ATOM 1285 CB LYS A 74 4.998 -6.078 5.798 1.00 0.00 C ATOM 1286 CG LYS A 74 4.899 -6.713 7.178 1.00 0.00 C ATOM 1287 CD LYS A 74 6.196 -7.398 7.586 1.00 0.00 C ATOM 1288 CE LYS A 74 7.173 -6.423 8.234 1.00 0.00 C ATOM 1289 NZ LYS A 74 6.634 -5.861 9.505 1.00 0.00 N ATOM 0 H LYS A 74 4.603 -4.048 3.817 1.00 0.00 H new ATOM 0 HA LYS A 74 2.947 -5.494 5.791 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.953 -6.863 5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.971 -5.596 5.699 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.647 -5.947 7.912 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.087 -7.440 7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 74 5.976 -8.208 8.282 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.660 -7.849 6.709 1.00 0.00 H new ATOM 0 HE2 LYS A 74 8.116 -6.932 8.433 1.00 0.00 H new ATOM 0 HE3 LYS A 74 7.389 -5.611 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.422 -5.565 10.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.032 -5.040 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 6.071 -6.586 9.994 1.00 0.00 H new ATOM 1303 N ALA A 75 3.221 -3.445 7.169 1.00 0.00 N ATOM 1304 CA ALA A 75 3.341 -2.261 7.997 1.00 0.00 C ATOM 1305 C ALA A 75 4.302 -2.509 9.156 1.00 0.00 C ATOM 1306 O ALA A 75 4.936 -3.569 9.233 1.00 0.00 O ATOM 1307 CB ALA A 75 1.964 -1.862 8.502 1.00 0.00 C ATOM 0 H ALA A 75 2.361 -3.974 7.313 1.00 0.00 H new ATOM 0 HA ALA A 75 3.750 -1.444 7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.049 -0.972 9.125 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.313 -1.650 7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.542 -2.677 9.089 1.00 0.00 H new ATOM 1313 N VAL A 76 4.414 -1.534 10.045 1.00 0.00 N ATOM 1314 CA VAL A 76 5.253 -1.666 11.226 1.00 0.00 C ATOM 1315 C VAL A 76 4.735 -2.797 12.110 1.00 0.00 C ATOM 1316 O VAL A 76 5.418 -3.799 12.322 1.00 0.00 O ATOM 1317 CB VAL A 76 5.294 -0.351 12.037 1.00 0.00 C ATOM 1318 CG1 VAL A 76 6.189 -0.491 13.259 1.00 0.00 C ATOM 1319 CG2 VAL A 76 5.753 0.807 11.162 1.00 0.00 C ATOM 0 H VAL A 76 3.932 -0.638 9.970 1.00 0.00 H new ATOM 0 HA VAL A 76 6.266 -1.894 10.893 1.00 0.00 H new ATOM 0 HB VAL A 76 4.283 -0.138 12.384 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.200 0.448 13.812 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.807 -1.285 13.901 1.00 0.00 H new ATOM 0 HG13 VAL A 76 7.202 -0.737 12.942 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.775 1.723 11.753 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.752 0.599 10.778 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.062 0.929 10.328 1.00 0.00 H new ATOM 1329 N ASN A 77 3.510 -2.645 12.589 1.00 0.00 N ATOM 1330 CA ASN A 77 2.883 -3.648 13.440 1.00 0.00 C ATOM 1331 C ASN A 77 1.411 -3.791 13.069 1.00 0.00 C ATOM 1332 O ASN A 77 0.900 -2.986 12.294 1.00 0.00 O ATOM 1333 CB ASN A 77 3.063 -3.290 14.918 1.00 0.00 C ATOM 1334 CG ASN A 77 2.701 -1.855 15.231 1.00 0.00 C ATOM 1335 OD1 ASN A 77 3.512 -0.947 15.064 1.00 0.00 O ATOM 1336 ND2 ASN A 77 1.499 -1.639 15.721 1.00 0.00 N ATOM 0 H ASN A 77 2.925 -1.830 12.402 1.00 0.00 H new ATOM 0 HA ASN A 77 3.368 -4.611 13.280 1.00 0.00 H new ATOM 0 HB2 ASN A 77 2.447 -3.954 15.524 1.00 0.00 H new ATOM 0 HB3 ASN A 77 4.100 -3.467 15.205 1.00 0.00 H new ATOM 0 HD21 ASN A 77 1.215 -0.693 15.976 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.852 -2.417 15.846 1.00 0.00 H new ATOM 1343 N ALA A 78 0.752 -4.834 13.572 1.00 0.00 N ATOM 1344 CA ALA A 78 -0.632 -5.155 13.184 1.00 0.00 C ATOM 1345 C ALA A 78 -1.551 -3.930 13.239 1.00 0.00 C ATOM 1346 O ALA A 78 -2.382 -3.730 12.348 1.00 0.00 O ATOM 1347 CB ALA A 78 -1.180 -6.260 14.073 1.00 0.00 C ATOM 0 H ALA A 78 1.152 -5.478 14.254 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.608 -5.495 12.149 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.204 -6.490 13.778 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.563 -7.152 13.967 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.167 -5.931 15.112 1.00 0.00 H new ATOM 1353 N ALA A 79 -1.394 -3.114 14.278 1.00 0.00 N ATOM 1354 CA ALA A 79 -2.144 -1.868 14.403 1.00 0.00 C ATOM 1355 C ALA A 79 -1.862 -0.927 13.237 1.00 0.00 C ATOM 1356 O ALA A 79 -2.774 -0.311 12.688 1.00 0.00 O ATOM 1357 CB ALA A 79 -1.791 -1.189 15.704 1.00 0.00 C ATOM 0 H ALA A 79 -0.751 -3.295 15.049 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.206 -2.111 14.390 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.353 -0.259 15.793 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.041 -1.846 16.537 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.723 -0.971 15.722 1.00 0.00 H new ATOM 1363 N GLU A 80 -0.595 -0.828 12.857 1.00 0.00 N ATOM 1364 CA GLU A 80 -0.196 -0.002 11.728 1.00 0.00 C ATOM 1365 C GLU A 80 -0.801 -0.533 10.436 1.00 0.00 C ATOM 1366 O GLU A 80 -1.185 0.234 9.554 1.00 0.00 O ATOM 1367 CB GLU A 80 1.322 0.061 11.626 1.00 0.00 C ATOM 1368 CG GLU A 80 1.947 0.795 12.789 1.00 0.00 C ATOM 1369 CD GLU A 80 1.366 2.179 12.971 1.00 0.00 C ATOM 1370 OE1 GLU A 80 1.585 3.040 12.100 1.00 0.00 O ATOM 1371 OE2 GLU A 80 0.677 2.402 13.987 1.00 0.00 O ATOM 0 H GLU A 80 0.176 -1.312 13.317 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.571 1.009 11.889 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.723 -0.952 11.581 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.601 0.556 10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 80 1.799 0.218 13.702 1.00 0.00 H new ATOM 0 HG3 GLU A 80 3.023 0.872 12.631 1.00 0.00 H new ATOM 1378 N ARG A 81 -0.890 -1.857 10.338 1.00 0.00 N ATOM 1379 CA ARG A 81 -1.580 -2.495 9.222 1.00 0.00 C ATOM 1380 C ARG A 81 -3.021 -2.003 9.150 1.00 0.00 C ATOM 1381 O ARG A 81 -3.539 -1.722 8.073 1.00 0.00 O ATOM 1382 CB ARG A 81 -1.570 -4.024 9.366 1.00 0.00 C ATOM 1383 CG ARG A 81 -2.482 -4.720 8.364 1.00 0.00 C ATOM 1384 CD ARG A 81 -3.154 -5.948 8.954 1.00 0.00 C ATOM 1385 NE ARG A 81 -4.039 -5.616 10.076 1.00 0.00 N ATOM 1386 CZ ARG A 81 -5.059 -6.382 10.473 1.00 0.00 C ATOM 1387 NH1 ARG A 81 -5.345 -7.504 9.819 1.00 0.00 N ATOM 1388 NH2 ARG A 81 -5.808 -6.018 11.510 1.00 0.00 N ATOM 0 H ARG A 81 -0.494 -2.507 11.017 1.00 0.00 H new ATOM 0 HA ARG A 81 -1.054 -2.229 8.305 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -0.551 -4.389 9.237 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.879 -4.291 10.377 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -3.244 -4.020 8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -1.901 -5.011 7.489 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.729 -6.452 8.178 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.391 -6.649 9.292 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.865 -4.748 10.583 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -4.785 -7.781 9.013 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.124 -8.087 10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -5.605 -5.150 12.006 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.586 -6.606 11.809 1.00 0.00 H new ATOM 1402 N GLN A 82 -3.650 -1.875 10.315 1.00 0.00 N ATOM 1403 CA GLN A 82 -5.047 -1.469 10.396 1.00 0.00 C ATOM 1404 C GLN A 82 -5.231 -0.059 9.840 1.00 0.00 C ATOM 1405 O GLN A 82 -6.259 0.246 9.244 1.00 0.00 O ATOM 1406 CB GLN A 82 -5.529 -1.527 11.848 1.00 0.00 C ATOM 1407 CG GLN A 82 -7.024 -1.310 12.010 1.00 0.00 C ATOM 1408 CD GLN A 82 -7.841 -2.434 11.407 1.00 0.00 C ATOM 1409 OE1 GLN A 82 -7.406 -3.585 11.379 1.00 0.00 O ATOM 1410 NE2 GLN A 82 -9.028 -2.110 10.919 1.00 0.00 N ATOM 0 H GLN A 82 -3.211 -2.048 11.219 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.641 -2.158 9.796 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.265 -2.497 12.270 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -4.997 -0.772 12.427 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.262 -1.220 13.070 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -7.304 -0.368 11.539 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.351 -1.143 10.962 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.620 -2.827 10.500 1.00 0.00 H new ATOM 1419 N ARG A 83 -4.225 0.788 10.023 1.00 0.00 N ATOM 1420 CA ARG A 83 -4.282 2.159 9.526 1.00 0.00 C ATOM 1421 C ARG A 83 -4.355 2.164 8.002 1.00 0.00 C ATOM 1422 O ARG A 83 -5.185 2.855 7.400 1.00 0.00 O ATOM 1423 CB ARG A 83 -3.044 2.931 9.981 1.00 0.00 C ATOM 1424 CG ARG A 83 -2.885 3.028 11.491 1.00 0.00 C ATOM 1425 CD ARG A 83 -1.611 3.769 11.865 1.00 0.00 C ATOM 1426 NE ARG A 83 -1.644 5.170 11.442 1.00 0.00 N ATOM 1427 CZ ARG A 83 -0.572 5.960 11.376 1.00 0.00 C ATOM 1428 NH1 ARG A 83 0.638 5.481 11.644 1.00 0.00 N ATOM 1429 NH2 ARG A 83 -0.711 7.231 11.021 1.00 0.00 N ATOM 0 H ARG A 83 -3.361 0.551 10.511 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.174 2.639 9.928 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -2.158 2.452 9.564 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.086 3.938 9.567 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.746 3.542 11.917 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.866 2.027 11.922 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.467 3.720 12.944 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.756 3.273 11.407 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.546 5.568 11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.753 4.501 11.903 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.452 6.093 11.591 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.636 7.601 10.800 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.107 7.838 10.969 1.00 0.00 H new ATOM 1443 N TRP A 84 -3.508 1.355 7.385 1.00 0.00 N ATOM 1444 CA TRP A 84 -3.520 1.205 5.938 1.00 0.00 C ATOM 1445 C TRP A 84 -4.801 0.518 5.491 1.00 0.00 C ATOM 1446 O TRP A 84 -5.357 0.840 4.450 1.00 0.00 O ATOM 1447 CB TRP A 84 -2.296 0.426 5.454 1.00 0.00 C ATOM 1448 CG TRP A 84 -1.037 1.218 5.561 1.00 0.00 C ATOM 1449 CD1 TRP A 84 -0.092 1.128 6.537 1.00 0.00 C ATOM 1450 CD2 TRP A 84 -0.600 2.243 4.663 1.00 0.00 C ATOM 1451 NE1 TRP A 84 0.905 2.043 6.308 1.00 0.00 N ATOM 1452 CE2 TRP A 84 0.614 2.741 5.165 1.00 0.00 C ATOM 1453 CE3 TRP A 84 -1.122 2.793 3.485 1.00 0.00 C ATOM 1454 CZ2 TRP A 84 1.312 3.761 4.533 1.00 0.00 C ATOM 1455 CZ3 TRP A 84 -0.422 3.801 2.856 1.00 0.00 C ATOM 1456 CH2 TRP A 84 0.782 4.278 3.383 1.00 0.00 C ATOM 0 H TRP A 84 -2.804 0.793 7.863 1.00 0.00 H new ATOM 0 HA TRP A 84 -3.481 2.199 5.493 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -2.197 -0.489 6.038 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -2.446 0.127 4.417 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.122 0.439 7.368 1.00 0.00 H new ATOM 0 HE1 TRP A 84 1.729 2.181 6.893 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -2.055 2.434 3.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 2.242 4.134 4.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.809 4.228 1.943 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.305 5.072 2.871 1.00 0.00 H new ATOM 1467 N LEU A 85 -5.269 -0.414 6.303 1.00 0.00 N ATOM 1468 CA LEU A 85 -6.514 -1.122 6.038 1.00 0.00 C ATOM 1469 C LEU A 85 -7.699 -0.163 6.007 1.00 0.00 C ATOM 1470 O LEU A 85 -8.650 -0.373 5.264 1.00 0.00 O ATOM 1471 CB LEU A 85 -6.725 -2.223 7.075 1.00 0.00 C ATOM 1472 CG LEU A 85 -6.391 -3.632 6.592 1.00 0.00 C ATOM 1473 CD1 LEU A 85 -4.990 -3.678 5.997 1.00 0.00 C ATOM 1474 CD2 LEU A 85 -6.526 -4.616 7.741 1.00 0.00 C ATOM 0 H LEU A 85 -4.800 -0.702 7.162 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.443 -1.584 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.114 -2.000 7.950 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.766 -2.203 7.399 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.094 -3.913 5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.771 -4.691 5.659 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.931 -2.992 5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.263 -3.384 6.754 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.286 -5.620 7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.840 -4.338 8.541 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.549 -4.598 8.117 1.00 0.00 H new ATOM 1486 N VAL A 86 -7.643 0.885 6.815 1.00 0.00 N ATOM 1487 CA VAL A 86 -8.683 1.899 6.813 1.00 0.00 C ATOM 1488 C VAL A 86 -8.753 2.608 5.461 1.00 0.00 C ATOM 1489 O VAL A 86 -9.830 2.709 4.864 1.00 0.00 O ATOM 1490 CB VAL A 86 -8.444 2.935 7.931 1.00 0.00 C ATOM 1491 CG1 VAL A 86 -9.368 4.136 7.776 1.00 0.00 C ATOM 1492 CG2 VAL A 86 -8.632 2.289 9.295 1.00 0.00 C ATOM 0 H VAL A 86 -6.888 1.054 7.480 1.00 0.00 H new ATOM 0 HA VAL A 86 -9.632 1.396 6.996 1.00 0.00 H new ATOM 0 HB VAL A 86 -7.417 3.292 7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -9.176 4.849 8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.184 4.614 6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -10.406 3.806 7.825 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.461 3.030 10.075 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.648 1.903 9.378 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.922 1.470 9.411 1.00 0.00 H new ATOM 1502 N ALA A 87 -7.611 3.087 4.979 1.00 0.00 N ATOM 1503 CA ALA A 87 -7.574 3.797 3.701 1.00 0.00 C ATOM 1504 C ALA A 87 -7.725 2.852 2.502 1.00 0.00 C ATOM 1505 O ALA A 87 -8.571 3.060 1.636 1.00 0.00 O ATOM 1506 CB ALA A 87 -6.280 4.588 3.586 1.00 0.00 C ATOM 0 H ALA A 87 -6.708 2.999 5.445 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.425 4.478 3.681 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -6.259 5.114 2.632 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.221 5.310 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.431 3.907 3.643 1.00 0.00 H new ATOM 1512 N LEU A 88 -6.917 1.799 2.484 1.00 0.00 N ATOM 1513 CA LEU A 88 -6.883 0.850 1.372 1.00 0.00 C ATOM 1514 C LEU A 88 -8.130 -0.031 1.344 1.00 0.00 C ATOM 1515 O LEU A 88 -8.714 -0.265 0.286 1.00 0.00 O ATOM 1516 CB LEU A 88 -5.625 -0.012 1.470 1.00 0.00 C ATOM 1517 CG LEU A 88 -4.306 0.746 1.303 1.00 0.00 C ATOM 1518 CD1 LEU A 88 -3.154 -0.071 1.864 1.00 0.00 C ATOM 1519 CD2 LEU A 88 -4.063 1.073 -0.167 1.00 0.00 C ATOM 0 H LEU A 88 -6.267 1.577 3.238 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.864 1.418 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.620 -0.511 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.677 -0.792 0.710 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.369 1.682 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.222 0.480 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -3.324 -0.260 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.088 -1.020 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.121 1.612 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.016 0.148 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.878 1.692 -0.541 1.00 0.00 H new ATOM 1531 N GLY A 89 -8.533 -0.510 2.516 1.00 0.00 N ATOM 1532 CA GLY A 89 -9.696 -1.378 2.623 1.00 0.00 C ATOM 1533 C GLY A 89 -10.954 -0.712 2.113 1.00 0.00 C ATOM 1534 O GLY A 89 -11.873 -1.382 1.639 1.00 0.00 O ATOM 0 H GLY A 89 -8.071 -0.311 3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -9.517 -2.293 2.059 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.837 -1.668 3.664 1.00 0.00 H new ATOM 1538 N SER A 90 -10.987 0.610 2.226 1.00 0.00 N ATOM 1539 CA SER A 90 -12.096 1.409 1.725 1.00 0.00 C ATOM 1540 C SER A 90 -12.323 1.136 0.239 1.00 0.00 C ATOM 1541 O SER A 90 -13.460 1.023 -0.217 1.00 0.00 O ATOM 1542 CB SER A 90 -11.797 2.895 1.959 1.00 0.00 C ATOM 1543 OG SER A 90 -12.842 3.727 1.495 1.00 0.00 O ATOM 0 H SER A 90 -10.247 1.157 2.667 1.00 0.00 H new ATOM 0 HA SER A 90 -13.006 1.137 2.261 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.641 3.070 3.023 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.869 3.162 1.452 1.00 0.00 H new ATOM 0 HG SER A 90 -12.462 4.527 1.076 1.00 0.00 H new ATOM 1549 N SER A 91 -11.228 1.012 -0.501 1.00 0.00 N ATOM 1550 CA SER A 91 -11.292 0.741 -1.927 1.00 0.00 C ATOM 1551 C SER A 91 -11.779 -0.683 -2.194 1.00 0.00 C ATOM 1552 O SER A 91 -12.609 -0.899 -3.074 1.00 0.00 O ATOM 1553 CB SER A 91 -9.921 0.968 -2.566 1.00 0.00 C ATOM 1554 OG SER A 91 -9.973 0.791 -3.969 1.00 0.00 O ATOM 0 H SER A 91 -10.281 1.096 -0.132 1.00 0.00 H new ATOM 0 HA SER A 91 -12.009 1.429 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.573 1.975 -2.337 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.198 0.275 -2.136 1.00 0.00 H new ATOM 0 HG SER A 91 -9.632 -0.099 -4.199 1.00 0.00 H new ATOM 1560 N LYS A 92 -11.253 -1.658 -1.441 1.00 0.00 N ATOM 1561 CA LYS A 92 -11.640 -3.048 -1.604 1.00 0.00 C ATOM 1562 C LYS A 92 -13.136 -3.224 -1.410 1.00 0.00 C ATOM 1563 O LYS A 92 -13.783 -4.019 -2.099 1.00 0.00 O ATOM 1564 CB LYS A 92 -10.910 -3.910 -0.593 1.00 0.00 C ATOM 1565 CG LYS A 92 -10.655 -5.309 -1.093 1.00 0.00 C ATOM 1566 CD LYS A 92 -10.686 -6.330 0.034 1.00 0.00 C ATOM 1567 CE LYS A 92 -12.087 -6.469 0.614 1.00 0.00 C ATOM 1568 NZ LYS A 92 -12.162 -7.509 1.675 1.00 0.00 N ATOM 0 H LYS A 92 -10.557 -1.499 -0.713 1.00 0.00 H new ATOM 0 HA LYS A 92 -11.375 -3.353 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -9.959 -3.440 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -11.495 -3.958 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -11.405 -5.570 -1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -9.685 -5.346 -1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.346 -7.297 -0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -9.993 -6.029 0.820 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -12.403 -5.511 1.026 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -12.785 -6.719 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -12.761 -7.168 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.571 -8.379 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -11.207 -7.708 2.034 1.00 0.00 H new ATOM 1582 N ALA A 93 -13.668 -2.495 -0.445 1.00 0.00 N ATOM 1583 CA ALA A 93 -15.076 -2.537 -0.137 1.00 0.00 C ATOM 1584 C ALA A 93 -15.882 -1.819 -1.216 1.00 0.00 C ATOM 1585 O ALA A 93 -16.078 -0.605 -1.154 1.00 0.00 O ATOM 1586 CB ALA A 93 -15.307 -1.930 1.237 1.00 0.00 C ATOM 0 H ALA A 93 -13.131 -1.859 0.144 1.00 0.00 H new ATOM 0 HA ALA A 93 -15.417 -3.572 -0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.371 -1.960 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.753 -2.499 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -14.963 -0.896 1.240 1.00 0.00 H new ATOM 1592 N SER A 94 -16.342 -2.601 -2.198 1.00 0.00 N ATOM 1593 CA SER A 94 -17.078 -2.097 -3.356 1.00 0.00 C ATOM 1594 C SER A 94 -16.150 -1.327 -4.294 1.00 0.00 C ATOM 1595 O SER A 94 -15.999 -0.112 -4.186 1.00 0.00 O ATOM 1596 CB SER A 94 -18.265 -1.230 -2.919 1.00 0.00 C ATOM 1597 OG SER A 94 -19.064 -1.920 -1.969 1.00 0.00 O ATOM 0 H SER A 94 -16.211 -3.612 -2.209 1.00 0.00 H new ATOM 0 HA SER A 94 -17.476 -2.952 -3.903 1.00 0.00 H new ATOM 0 HB2 SER A 94 -17.902 -0.297 -2.488 1.00 0.00 H new ATOM 0 HB3 SER A 94 -18.869 -0.966 -3.787 1.00 0.00 H new ATOM 0 HG SER A 94 -19.816 -1.352 -1.700 1.00 0.00 H new ATOM 1603 N LEU A 95 -15.526 -2.049 -5.216 1.00 0.00 N ATOM 1604 CA LEU A 95 -14.594 -1.452 -6.158 1.00 0.00 C ATOM 1605 C LEU A 95 -15.076 -1.691 -7.586 1.00 0.00 C ATOM 1606 O LEU A 95 -15.875 -2.597 -7.832 1.00 0.00 O ATOM 1607 CB LEU A 95 -13.200 -2.036 -5.945 1.00 0.00 C ATOM 1608 CG LEU A 95 -12.073 -1.330 -6.696 1.00 0.00 C ATOM 1609 CD1 LEU A 95 -12.049 0.159 -6.376 1.00 0.00 C ATOM 1610 CD2 LEU A 95 -10.743 -1.963 -6.341 1.00 0.00 C ATOM 0 H LEU A 95 -15.651 -3.055 -5.330 1.00 0.00 H new ATOM 0 HA LEU A 95 -14.544 -0.376 -5.990 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -12.974 -2.013 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -13.214 -3.084 -6.245 1.00 0.00 H new ATOM 0 HG LEU A 95 -12.251 -1.441 -7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -11.237 0.636 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -12.998 0.609 -6.668 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -11.895 0.299 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -9.943 -1.455 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -10.572 -1.873 -5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -10.756 -3.017 -6.619 1.00 0.00 H new ATOM 1622 N THR A 96 -14.598 -0.870 -8.512 1.00 0.00 N ATOM 1623 CA THR A 96 -15.048 -0.909 -9.898 1.00 0.00 C ATOM 1624 C THR A 96 -14.565 -2.145 -10.647 1.00 0.00 C ATOM 1625 O THR A 96 -13.538 -2.731 -10.306 1.00 0.00 O ATOM 1626 CB THR A 96 -14.583 0.346 -10.650 1.00 0.00 C ATOM 1627 OG1 THR A 96 -13.240 0.681 -10.268 1.00 0.00 O ATOM 1628 CG2 THR A 96 -15.514 1.512 -10.368 1.00 0.00 C ATOM 0 H THR A 96 -13.890 -0.160 -8.325 1.00 0.00 H new ATOM 0 HA THR A 96 -16.137 -0.948 -9.862 1.00 0.00 H new ATOM 0 HB THR A 96 -14.605 0.137 -11.720 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.738 0.971 -11.058 1.00 0.00 H new ATOM 0 HG21 THR A 96 -15.169 2.393 -10.909 1.00 0.00 H new ATOM 0 HG22 THR A 96 -16.523 1.259 -10.693 1.00 0.00 H new ATOM 0 HG23 THR A 96 -15.520 1.723 -9.299 1.00 0.00 H new ATOM 1636 N ASP A 97 -15.333 -2.511 -11.674 1.00 0.00 N ATOM 1637 CA ASP A 97 -15.020 -3.638 -12.558 1.00 0.00 C ATOM 1638 C ASP A 97 -15.088 -4.969 -11.817 1.00 0.00 C ATOM 1639 O ASP A 97 -15.426 -5.032 -10.633 1.00 0.00 O ATOM 1640 CB ASP A 97 -13.644 -3.455 -13.213 1.00 0.00 C ATOM 1641 CG ASP A 97 -13.580 -4.072 -14.601 1.00 0.00 C ATOM 1642 OD1 ASP A 97 -13.352 -5.296 -14.710 1.00 0.00 O ATOM 1643 OD2 ASP A 97 -13.775 -3.337 -15.589 1.00 0.00 O ATOM 0 H ASP A 97 -16.198 -2.030 -11.919 1.00 0.00 H new ATOM 0 HA ASP A 97 -15.776 -3.656 -13.343 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -13.414 -2.392 -13.279 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -12.880 -3.907 -12.581 1.00 0.00 H new ATOM 1648 N THR A 98 -14.814 -6.032 -12.545 1.00 0.00 N ATOM 1649 CA THR A 98 -14.834 -7.378 -11.996 1.00 0.00 C ATOM 1650 C THR A 98 -13.518 -7.707 -11.299 1.00 0.00 C ATOM 1651 O THR A 98 -12.482 -7.856 -11.947 1.00 0.00 O ATOM 1652 CB THR A 98 -15.099 -8.420 -13.101 1.00 0.00 C ATOM 1653 OG1 THR A 98 -14.349 -8.091 -14.276 1.00 0.00 O ATOM 1654 CG2 THR A 98 -16.579 -8.492 -13.444 1.00 0.00 C ATOM 0 H THR A 98 -14.571 -5.990 -13.535 1.00 0.00 H new ATOM 0 HA THR A 98 -15.642 -7.417 -11.265 1.00 0.00 H new ATOM 0 HB THR A 98 -14.784 -9.394 -12.727 1.00 0.00 H new ATOM 0 HG1 THR A 98 -13.427 -7.873 -14.025 1.00 0.00 H new ATOM 0 HG21 THR A 98 -16.736 -9.235 -14.226 1.00 0.00 H new ATOM 0 HG22 THR A 98 -17.145 -8.775 -12.556 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.919 -7.518 -13.796 1.00 0.00 H new ATOM 1662 N ARG A 99 -13.568 -7.817 -9.979 1.00 0.00 N ATOM 1663 CA ARG A 99 -12.390 -8.156 -9.190 1.00 0.00 C ATOM 1664 C ARG A 99 -11.986 -9.606 -9.432 1.00 0.00 C ATOM 1665 O ARG A 99 -12.798 -10.401 -9.914 1.00 0.00 O ATOM 1666 CB ARG A 99 -12.673 -7.929 -7.708 1.00 0.00 C ATOM 1667 CG ARG A 99 -12.985 -6.483 -7.363 1.00 0.00 C ATOM 1668 CD ARG A 99 -13.542 -6.364 -5.957 1.00 0.00 C ATOM 1669 NE ARG A 99 -14.776 -7.135 -5.798 1.00 0.00 N ATOM 1670 CZ ARG A 99 -15.605 -7.014 -4.768 1.00 0.00 C ATOM 1671 NH1 ARG A 99 -15.347 -6.155 -3.785 1.00 0.00 N ATOM 1672 NH2 ARG A 99 -16.697 -7.761 -4.719 1.00 0.00 N ATOM 0 H ARG A 99 -14.415 -7.676 -9.429 1.00 0.00 H new ATOM 0 HA ARG A 99 -11.566 -7.512 -9.497 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.513 -8.555 -7.407 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.809 -8.254 -7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -12.080 -5.882 -7.451 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -13.704 -6.083 -8.077 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.799 -6.714 -5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -13.736 -5.316 -5.729 1.00 0.00 H new ATOM 0 HE ARG A 99 -15.014 -7.809 -6.526 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -14.505 -5.581 -3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -15.991 -6.071 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -16.896 -8.423 -5.469 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.339 -7.674 -3.931 1.00 0.00 H new ATOM 1686 N THR A 100 -10.743 -9.935 -9.080 1.00 0.00 N ATOM 1687 CA THR A 100 -10.152 -11.257 -9.316 1.00 0.00 C ATOM 1688 C THR A 100 -10.302 -11.697 -10.776 1.00 0.00 C ATOM 1689 O THR A 100 -9.390 -11.396 -11.577 1.00 0.00 O ATOM 1690 CB THR A 100 -10.703 -12.341 -8.352 1.00 0.00 C ATOM 1691 OG1 THR A 100 -12.136 -12.365 -8.358 1.00 0.00 O ATOM 1692 CG2 THR A 100 -10.208 -12.100 -6.935 1.00 0.00 C ATOM 1693 OXT THR A 100 -11.324 -12.329 -11.124 1.00 0.00 O ATOM 0 H THR A 100 -10.108 -9.284 -8.617 1.00 0.00 H new ATOM 0 HA THR A 100 -9.088 -11.152 -9.104 1.00 0.00 H new ATOM 0 HB THR A 100 -10.337 -13.305 -8.704 1.00 0.00 H new ATOM 0 HG1 THR A 100 -12.467 -11.938 -9.176 1.00 0.00 H new ATOM 0 HG21 THR A 100 -10.606 -12.871 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 100 -9.119 -12.135 -6.919 1.00 0.00 H new ATOM 0 HG23 THR A 100 -10.544 -11.121 -6.594 1.00 0.00 H new TER 1701 THR A 100