USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1001 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 Single : A 1 ALA N :NH3+ 140:sc= 0.101 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 31:sc= 0.233 USER MOD Single : A 9 LYS NZ :NH3+ -137:sc= -0.307 (180deg=-1.74!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 68:sc= 0.62 USER MOD Single : A 25 GLN : amide:sc= -1.84 X(o=-1.8,f=-2.1) USER MOD Single : A 27 GLN : amide:sc= -0.499 K(o=-0.5,f=-1.5) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 169:sc= 0.38 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -118:sc= 0.765 USER MOD Single : A 42 HIS : no HD1:sc= -1.59 K(o=-1.6,f=-3.4) USER MOD Single : A 44 TYR OH : rot 15:sc= -0.911 USER MOD Single : A 49 HIS : no HD1:sc= -0.57 K(o=-0.57,f=0.015) USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 59 LYS NZ :NH3+ -156:sc= -0.113 (180deg=-0.665) USER MOD Single : A 67 TYR OH : rot 150:sc= -0.54 USER MOD Single : A 70 TYR OH : rot -33:sc= 0.061 USER MOD Single : A 74 LYS NZ :NH3+ -137:sc= 2.09 (180deg=-2.93!) USER MOD Single : A 75 ASN : amide:sc=-0.00366 K(o=-0.0037,f=-0.68) USER MOD Single : A 80 LYS NZ :NH3+ -117:sc= -0.829 (180deg=-3.94!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.0273 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 87 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.6) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 179:sc= 0.823 USER MOD Single : A 98 TYR OH : rot -167:sc= -0.163 USER MOD Single : A 100 ASN : amide:sc= -2.12 K(o=-2.1,f=-0.66) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 GLN : amide:sc= -0.0209 X(o=-0.021,f=-0.037) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 144:sc= -0.0211 (180deg=-2.23) USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.139 USER MOD Single : A 113 HIS : no HD1:sc= -5.28! C(o=-5.1!,f=-19!) USER MOD Single : A 114 SER OG : rot 180:sc= -1.72 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -147:sc= 1.03 (180deg=0.393) USER MOD Single : A 119 ASN : amide:sc=-0.00465 X(o=-0.0046,f=-0.17) USER MOD Single : A 120 ASN : amide:sc= -0.156 K(o=-0.16,f=-0.78) USER MOD Single : A 121 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.024) USER MOD Single : A 123 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0607) USER MOD Single : A 128 LYS NZ :NH3+ -133:sc= 0.732 (180deg=-2.31!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.802 12.614 3.393 1.00 0.00 N ATOM 2 CA ALA A 1 -14.540 12.474 1.948 1.00 0.00 C ATOM 3 C ALA A 1 -13.744 11.193 1.716 1.00 0.00 C ATOM 4 O ALA A 1 -12.925 10.885 2.567 1.00 0.00 O ATOM 5 CB ALA A 1 -13.798 13.700 1.399 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.695 13.611 3.670 1.00 0.00 H new ATOM 0 H2 ALA A 1 -15.771 12.299 3.602 1.00 0.00 H new ATOM 0 H3 ALA A 1 -14.126 12.031 3.927 1.00 0.00 H new ATOM 0 HA ALA A 1 -15.486 12.412 1.411 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -13.618 13.569 0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -14.403 14.593 1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -12.845 13.810 1.916 1.00 0.00 H new ATOM 13 N PRO A 2 -13.985 10.456 0.617 1.00 0.00 N ATOM 14 CA PRO A 2 -13.234 9.249 0.229 1.00 0.00 C ATOM 15 C PRO A 2 -11.780 9.530 -0.209 1.00 0.00 C ATOM 16 O PRO A 2 -11.020 8.611 -0.489 1.00 0.00 O ATOM 17 CB PRO A 2 -14.060 8.646 -0.921 1.00 0.00 C ATOM 18 CG PRO A 2 -14.779 9.832 -1.550 1.00 0.00 C ATOM 19 CD PRO A 2 -15.016 10.761 -0.367 1.00 0.00 C ATOM 0 HA PRO A 2 -13.118 8.575 1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -13.420 8.142 -1.645 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -14.769 7.905 -0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -14.173 10.308 -2.321 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -15.715 9.532 -2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -14.959 11.805 -0.677 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -16.010 10.607 0.053 1.00 0.00 H new ATOM 27 N ILE A 3 -11.392 10.799 -0.293 1.00 0.00 N ATOM 28 CA ILE A 3 -10.052 11.245 -0.645 1.00 0.00 C ATOM 29 C ILE A 3 -9.323 11.660 0.621 1.00 0.00 C ATOM 30 O ILE A 3 -9.822 12.482 1.392 1.00 0.00 O ATOM 31 CB ILE A 3 -10.130 12.391 -1.667 1.00 0.00 C ATOM 32 CG1 ILE A 3 -8.722 12.757 -2.185 1.00 0.00 C ATOM 33 CG2 ILE A 3 -10.814 13.657 -1.124 1.00 0.00 C ATOM 34 CD1 ILE A 3 -8.207 11.744 -3.204 1.00 0.00 C ATOM 0 H ILE A 3 -12.029 11.574 -0.110 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.493 10.434 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.748 12.015 -2.482 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -8.749 13.747 -2.640 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.029 12.811 -1.345 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.832 14.422 -1.900 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -11.835 13.419 -0.825 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.260 14.028 -0.262 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.214 12.040 -3.542 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.154 10.758 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.885 11.709 -4.057 1.00 0.00 H new ATOM 46 N VAL A 4 -8.145 11.089 0.797 1.00 0.00 N ATOM 47 CA VAL A 4 -7.252 11.372 1.905 1.00 0.00 C ATOM 48 C VAL A 4 -5.856 11.746 1.418 1.00 0.00 C ATOM 49 O VAL A 4 -5.648 11.936 0.210 1.00 0.00 O ATOM 50 CB VAL A 4 -7.289 10.188 2.877 1.00 0.00 C ATOM 51 CG1 VAL A 4 -8.562 10.244 3.734 1.00 0.00 C ATOM 52 CG2 VAL A 4 -7.024 8.786 2.300 1.00 0.00 C ATOM 0 H VAL A 4 -7.772 10.393 0.151 1.00 0.00 H new ATOM 0 HA VAL A 4 -7.588 12.253 2.452 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.409 10.330 3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.576 9.397 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.577 11.173 4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -9.438 10.201 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.081 8.047 3.099 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.772 8.558 1.540 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.031 8.759 1.851 1.00 0.00 H new ATOM 62 N THR A 5 -4.919 11.938 2.354 1.00 0.00 N ATOM 63 CA THR A 5 -3.514 12.212 2.053 1.00 0.00 C ATOM 64 C THR A 5 -2.542 11.710 3.104 1.00 0.00 C ATOM 65 O THR A 5 -2.552 12.194 4.231 1.00 0.00 O ATOM 66 CB THR A 5 -3.219 13.691 1.822 1.00 0.00 C ATOM 67 OG1 THR A 5 -3.632 14.507 2.893 1.00 0.00 O ATOM 68 CG2 THR A 5 -3.827 14.179 0.513 1.00 0.00 C ATOM 0 H THR A 5 -5.121 11.906 3.353 1.00 0.00 H new ATOM 0 HA THR A 5 -3.358 11.654 1.130 1.00 0.00 H new ATOM 0 HB THR A 5 -2.134 13.776 1.757 1.00 0.00 H new ATOM 0 HG1 THR A 5 -3.570 14.003 3.731 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.599 15.236 0.378 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.410 13.609 -0.317 1.00 0.00 H new ATOM 0 HG23 THR A 5 -4.908 14.042 0.540 1.00 0.00 H new ATOM 76 N CYS A 6 -1.612 10.835 2.705 1.00 0.00 N ATOM 77 CA CYS A 6 -0.644 10.279 3.652 1.00 0.00 C ATOM 78 C CYS A 6 0.156 11.406 4.341 1.00 0.00 C ATOM 79 O CYS A 6 0.206 12.530 3.835 1.00 0.00 O ATOM 80 CB CYS A 6 0.268 9.265 2.944 1.00 0.00 C ATOM 81 SG CYS A 6 -0.516 7.887 2.068 1.00 0.00 S ATOM 0 H CYS A 6 -1.511 10.501 1.746 1.00 0.00 H new ATOM 0 HA CYS A 6 -1.179 9.745 4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.882 9.811 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.944 8.846 3.689 1.00 0.00 H new ATOM 86 N ARG A 7 0.859 11.099 5.438 1.00 0.00 N ATOM 87 CA ARG A 7 1.791 12.014 6.143 1.00 0.00 C ATOM 88 C ARG A 7 3.289 11.634 6.009 1.00 0.00 C ATOM 89 O ARG A 7 4.044 11.752 6.970 1.00 0.00 O ATOM 90 CB ARG A 7 1.323 12.165 7.609 1.00 0.00 C ATOM 91 CG ARG A 7 0.252 13.244 7.775 1.00 0.00 C ATOM 92 CD ARG A 7 -1.145 12.706 7.457 1.00 0.00 C ATOM 93 NE ARG A 7 -2.180 13.723 7.675 1.00 0.00 N ATOM 94 CZ ARG A 7 -2.397 14.774 6.910 1.00 0.00 C ATOM 95 NH1 ARG A 7 -1.678 15.008 5.850 1.00 0.00 N ATOM 96 NH2 ARG A 7 -3.331 15.628 7.205 1.00 0.00 N ATOM 0 H ARG A 7 0.800 10.182 5.880 1.00 0.00 H new ATOM 0 HA ARG A 7 1.746 12.986 5.651 1.00 0.00 H new ATOM 0 HB2 ARG A 7 0.931 11.211 7.962 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.180 12.409 8.237 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.272 13.623 8.797 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.477 14.084 7.118 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -1.178 12.369 6.421 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.351 11.837 8.082 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.784 13.606 8.489 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.925 14.370 5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.868 15.829 5.276 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.905 15.489 8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -3.490 16.438 6.605 1.00 0.00 H new ATOM 110 N PRO A 8 3.763 11.214 4.819 1.00 0.00 N ATOM 111 CA PRO A 8 5.144 10.833 4.596 1.00 0.00 C ATOM 112 C PRO A 8 6.082 12.036 4.707 1.00 0.00 C ATOM 113 O PRO A 8 5.671 13.191 4.821 1.00 0.00 O ATOM 114 CB PRO A 8 5.180 10.257 3.181 1.00 0.00 C ATOM 115 CG PRO A 8 4.050 10.953 2.460 1.00 0.00 C ATOM 116 CD PRO A 8 3.055 11.151 3.569 1.00 0.00 C ATOM 0 HA PRO A 8 5.481 10.115 5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.138 10.451 2.698 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.040 9.176 3.189 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.366 11.899 2.021 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.645 10.345 1.651 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.489 12.069 3.409 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.337 10.331 3.583 1.00 0.00 H new ATOM 124 N LYS A 9 7.383 11.770 4.606 1.00 0.00 N ATOM 125 CA LYS A 9 8.450 12.765 4.660 1.00 0.00 C ATOM 126 C LYS A 9 9.003 13.111 3.281 1.00 0.00 C ATOM 127 O LYS A 9 9.816 12.376 2.726 1.00 0.00 O ATOM 128 CB LYS A 9 9.558 12.258 5.592 1.00 0.00 C ATOM 129 CG LYS A 9 10.191 13.436 6.336 1.00 0.00 C ATOM 130 CD LYS A 9 9.288 14.004 7.452 1.00 0.00 C ATOM 131 CE LYS A 9 9.187 13.064 8.670 1.00 0.00 C ATOM 132 NZ LYS A 9 8.088 12.049 8.560 1.00 0.00 N ATOM 0 H LYS A 9 7.735 10.821 4.480 1.00 0.00 H new ATOM 0 HA LYS A 9 8.032 13.692 5.053 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.147 11.544 6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.318 11.730 5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.138 13.117 6.771 1.00 0.00 H new ATOM 0 HG3 LYS A 9 10.419 14.228 5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 9 9.679 14.969 7.774 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.290 14.182 7.051 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.137 12.545 8.797 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.028 13.662 9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.590 11.976 9.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.417 12.342 7.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.493 11.124 8.312 1.00 0.00 H new ATOM 146 N LEU A 10 8.590 14.261 2.759 1.00 0.00 N ATOM 147 CA LEU A 10 9.149 14.732 1.500 1.00 0.00 C ATOM 148 C LEU A 10 10.377 15.603 1.786 1.00 0.00 C ATOM 149 O LEU A 10 11.512 15.138 1.807 1.00 0.00 O ATOM 150 CB LEU A 10 8.040 15.388 0.666 1.00 0.00 C ATOM 151 CG LEU A 10 8.345 15.578 -0.845 1.00 0.00 C ATOM 152 CD1 LEU A 10 9.818 15.769 -1.204 1.00 0.00 C ATOM 153 CD2 LEU A 10 7.655 14.492 -1.705 1.00 0.00 C ATOM 0 H LEU A 10 7.887 14.871 3.177 1.00 0.00 H new ATOM 0 HA LEU A 10 9.520 13.914 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.137 14.785 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 10 7.818 16.364 1.097 1.00 0.00 H new ATOM 0 HG LEU A 10 7.902 16.542 -1.096 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.917 15.892 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.203 16.656 -0.701 1.00 0.00 H new ATOM 0 HD13 LEU A 10 10.386 14.895 -0.885 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.891 14.656 -2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 10 8.012 13.507 -1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.576 14.546 -1.562 1.00 0.00 H new ATOM 165 N ASP A 11 10.135 16.863 2.122 1.00 0.00 N ATOM 166 CA ASP A 11 11.138 17.924 2.196 1.00 0.00 C ATOM 167 C ASP A 11 11.442 18.236 3.664 1.00 0.00 C ATOM 168 O ASP A 11 11.250 19.335 4.178 1.00 0.00 O ATOM 169 CB ASP A 11 10.695 19.134 1.351 1.00 0.00 C ATOM 170 CG ASP A 11 9.164 19.356 1.289 1.00 0.00 C ATOM 171 OD1 ASP A 11 8.624 19.929 2.259 1.00 0.00 O ATOM 172 OD2 ASP A 11 8.503 18.920 0.309 1.00 0.00 O ATOM 0 H ASP A 11 9.199 17.190 2.360 1.00 0.00 H new ATOM 0 HA ASP A 11 12.083 17.603 1.757 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.162 20.032 1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.071 19.008 0.336 1.00 0.00 H new ATOM 177 N GLY A 12 11.858 17.202 4.397 1.00 0.00 N ATOM 178 CA GLY A 12 12.063 17.314 5.850 1.00 0.00 C ATOM 179 C GLY A 12 10.811 17.712 6.649 1.00 0.00 C ATOM 180 O GLY A 12 10.916 18.004 7.839 1.00 0.00 O ATOM 0 H GLY A 12 12.060 16.279 4.014 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.428 16.358 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.845 18.050 6.037 1.00 0.00 H new ATOM 184 N ARG A 13 9.632 17.736 6.018 1.00 0.00 N ATOM 185 CA ARG A 13 8.339 18.154 6.565 1.00 0.00 C ATOM 186 C ARG A 13 7.281 17.210 6.029 1.00 0.00 C ATOM 187 O ARG A 13 7.352 16.765 4.884 1.00 0.00 O ATOM 188 CB ARG A 13 8.043 19.608 6.149 1.00 0.00 C ATOM 189 CG ARG A 13 9.004 20.601 6.821 1.00 0.00 C ATOM 190 CD ARG A 13 8.835 22.013 6.248 1.00 0.00 C ATOM 191 NE ARG A 13 7.790 22.775 6.962 1.00 0.00 N ATOM 192 CZ ARG A 13 7.954 23.446 8.087 1.00 0.00 C ATOM 193 NH1 ARG A 13 9.109 23.500 8.689 1.00 0.00 N ATOM 194 NH2 ARG A 13 6.961 24.077 8.638 1.00 0.00 N ATOM 0 H ARG A 13 9.552 17.443 5.044 1.00 0.00 H new ATOM 0 HA ARG A 13 8.347 18.115 7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.124 19.700 5.066 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.016 19.860 6.414 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.821 20.618 7.895 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.032 20.269 6.678 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.783 22.547 6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.578 21.948 5.191 1.00 0.00 H new ATOM 0 HE ARG A 13 6.858 22.783 6.548 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.914 23.016 8.292 1.00 0.00 H new ATOM 0 HH12 ARG A 13 9.207 24.026 9.557 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.039 24.058 8.201 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.103 24.591 9.507 1.00 0.00 H new ATOM 208 N GLU A 14 6.348 16.851 6.901 1.00 0.00 N ATOM 209 CA GLU A 14 5.197 16.002 6.586 1.00 0.00 C ATOM 210 C GLU A 14 4.449 16.537 5.365 1.00 0.00 C ATOM 211 O GLU A 14 3.825 17.600 5.424 1.00 0.00 O ATOM 212 CB GLU A 14 4.246 15.912 7.781 1.00 0.00 C ATOM 213 CG GLU A 14 4.864 15.144 8.956 1.00 0.00 C ATOM 214 CD GLU A 14 4.034 15.328 10.232 1.00 0.00 C ATOM 215 OE1 GLU A 14 2.789 15.395 10.135 1.00 0.00 O ATOM 216 OE2 GLU A 14 4.686 15.477 11.288 1.00 0.00 O ATOM 0 H GLU A 14 6.368 17.149 7.876 1.00 0.00 H new ATOM 0 HA GLU A 14 5.570 15.003 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.978 16.917 8.107 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.323 15.420 7.473 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.927 14.084 8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.882 15.493 9.127 1.00 0.00 H new ATOM 223 N LYS A 15 4.533 15.818 4.244 1.00 0.00 N ATOM 224 CA LYS A 15 3.908 16.243 2.992 1.00 0.00 C ATOM 225 C LYS A 15 2.673 15.395 2.688 1.00 0.00 C ATOM 226 O LYS A 15 2.799 14.178 2.627 1.00 0.00 O ATOM 227 CB LYS A 15 4.910 16.180 1.847 1.00 0.00 C ATOM 228 CG LYS A 15 4.313 16.836 0.585 1.00 0.00 C ATOM 229 CD LYS A 15 5.394 17.050 -0.452 1.00 0.00 C ATOM 230 CE LYS A 15 4.902 17.725 -1.729 1.00 0.00 C ATOM 231 NZ LYS A 15 6.027 18.422 -2.415 1.00 0.00 N ATOM 0 H LYS A 15 5.033 14.931 4.179 1.00 0.00 H new ATOM 0 HA LYS A 15 3.584 17.278 3.102 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.831 16.690 2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.171 15.143 1.638 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.525 16.204 0.175 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.853 17.790 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.188 17.656 -0.015 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.833 16.086 -0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.466 16.981 -2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.115 18.440 -1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 5.677 18.877 -3.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.425 19.145 -1.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 6.765 17.732 -2.660 1.00 0.00 H new ATOM 245 N PRO A 16 1.507 16.000 2.410 1.00 0.00 N ATOM 246 CA PRO A 16 0.272 15.291 2.091 1.00 0.00 C ATOM 247 C PRO A 16 0.381 14.508 0.775 1.00 0.00 C ATOM 248 O PRO A 16 0.336 15.088 -0.314 1.00 0.00 O ATOM 249 CB PRO A 16 -0.822 16.359 2.064 1.00 0.00 C ATOM 250 CG PRO A 16 -0.066 17.636 1.709 1.00 0.00 C ATOM 251 CD PRO A 16 1.294 17.432 2.363 1.00 0.00 C ATOM 0 HA PRO A 16 0.043 14.527 2.834 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.589 16.129 1.325 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.323 16.444 3.028 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.022 17.765 0.630 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.569 18.522 2.096 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.080 17.924 1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.313 17.862 3.364 1.00 0.00 H new ATOM 259 N PHE A 17 0.526 13.184 0.844 1.00 0.00 N ATOM 260 CA PHE A 17 0.605 12.362 -0.366 1.00 0.00 C ATOM 261 C PHE A 17 -0.794 12.033 -0.876 1.00 0.00 C ATOM 262 O PHE A 17 -1.518 11.313 -0.206 1.00 0.00 O ATOM 263 CB PHE A 17 1.389 11.081 -0.096 1.00 0.00 C ATOM 264 CG PHE A 17 2.213 10.620 -1.279 1.00 0.00 C ATOM 265 CD1 PHE A 17 1.602 10.434 -2.532 1.00 0.00 C ATOM 266 CD2 PHE A 17 3.598 10.396 -1.146 1.00 0.00 C ATOM 267 CE1 PHE A 17 2.381 10.042 -3.625 1.00 0.00 C ATOM 268 CE2 PHE A 17 4.363 9.956 -2.233 1.00 0.00 C ATOM 269 CZ PHE A 17 3.752 9.771 -3.482 1.00 0.00 C ATOM 0 H PHE A 17 0.591 12.660 1.717 1.00 0.00 H new ATOM 0 HA PHE A 17 1.131 12.930 -1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.049 11.241 0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.693 10.290 0.183 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.540 10.593 -2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 17 4.076 10.566 -0.193 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.920 9.946 -4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.418 9.760 -2.110 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.330 9.424 -4.326 1.00 0.00 H new ATOM 279 N LYS A 18 -1.194 12.546 -2.045 1.00 0.00 N ATOM 280 CA LYS A 18 -2.503 12.289 -2.677 1.00 0.00 C ATOM 281 C LYS A 18 -2.816 10.800 -2.700 1.00 0.00 C ATOM 282 O LYS A 18 -2.018 10.068 -3.268 1.00 0.00 O ATOM 283 CB LYS A 18 -2.497 12.786 -4.124 1.00 0.00 C ATOM 284 CG LYS A 18 -2.144 14.270 -4.262 1.00 0.00 C ATOM 285 CD LYS A 18 -3.391 15.149 -4.120 1.00 0.00 C ATOM 286 CE LYS A 18 -3.093 16.563 -4.629 1.00 0.00 C ATOM 287 NZ LYS A 18 -3.283 16.658 -6.102 1.00 0.00 N ATOM 0 H LYS A 18 -0.604 13.169 -2.596 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.256 12.816 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.783 12.196 -4.699 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.480 12.613 -4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.413 14.545 -3.502 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.678 14.448 -5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.217 14.717 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.703 15.187 -3.076 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.747 17.277 -4.129 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.069 16.836 -4.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.074 17.627 -6.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.641 15.993 -6.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.267 16.421 -6.341 1.00 0.00 H new ATOM 301 N VAL A 19 -3.940 10.377 -2.140 1.00 0.00 N ATOM 302 CA VAL A 19 -4.360 8.972 -2.039 1.00 0.00 C ATOM 303 C VAL A 19 -5.871 8.903 -1.893 1.00 0.00 C ATOM 304 O VAL A 19 -6.456 9.470 -0.980 1.00 0.00 O ATOM 305 CB VAL A 19 -3.698 8.251 -0.846 1.00 0.00 C ATOM 306 CG1 VAL A 19 -2.255 7.871 -1.167 1.00 0.00 C ATOM 307 CG2 VAL A 19 -3.721 9.068 0.445 1.00 0.00 C ATOM 0 H VAL A 19 -4.615 11.020 -1.726 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.041 8.467 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.295 7.354 -0.681 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -1.813 7.365 -0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.237 7.205 -2.030 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.683 8.771 -1.391 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.240 8.502 1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.187 10.006 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.753 9.280 0.723 1.00 0.00 H new ATOM 317 N ASP A 20 -6.540 8.237 -2.815 1.00 0.00 N ATOM 318 CA ASP A 20 -7.978 8.030 -2.758 1.00 0.00 C ATOM 319 C ASP A 20 -8.307 6.586 -2.376 1.00 0.00 C ATOM 320 O ASP A 20 -7.642 5.621 -2.774 1.00 0.00 O ATOM 321 CB ASP A 20 -8.589 8.444 -4.095 1.00 0.00 C ATOM 322 CG ASP A 20 -8.142 7.523 -5.205 1.00 0.00 C ATOM 323 OD1 ASP A 20 -6.925 7.514 -5.481 1.00 0.00 O ATOM 324 OD2 ASP A 20 -9.010 6.809 -5.740 1.00 0.00 O ATOM 0 H ASP A 20 -6.098 7.819 -3.634 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.417 8.652 -1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.676 8.429 -4.022 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.299 9.468 -4.329 1.00 0.00 H new ATOM 329 N VAL A 21 -9.373 6.437 -1.590 1.00 0.00 N ATOM 330 CA VAL A 21 -9.849 5.108 -1.203 1.00 0.00 C ATOM 331 C VAL A 21 -10.221 4.272 -2.412 1.00 0.00 C ATOM 332 O VAL A 21 -9.893 3.092 -2.430 1.00 0.00 O ATOM 333 CB VAL A 21 -11.038 5.175 -0.241 1.00 0.00 C ATOM 334 CG1 VAL A 21 -12.300 5.769 -0.892 1.00 0.00 C ATOM 335 CG2 VAL A 21 -11.396 3.779 0.269 1.00 0.00 C ATOM 0 H VAL A 21 -9.919 7.211 -1.212 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.017 4.630 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.722 5.825 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.110 5.791 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -12.091 6.783 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.595 5.154 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.243 3.847 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.659 3.140 -0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.541 3.353 0.794 1.00 0.00 H new ATOM 345 N ALA A 22 -10.905 4.877 -3.395 1.00 0.00 N ATOM 346 CA ALA A 22 -11.378 4.234 -4.612 1.00 0.00 C ATOM 347 C ALA A 22 -10.246 3.457 -5.253 1.00 0.00 C ATOM 348 O ALA A 22 -10.422 2.270 -5.483 1.00 0.00 O ATOM 349 CB ALA A 22 -11.984 5.262 -5.583 1.00 0.00 C ATOM 0 H ALA A 22 -11.149 5.867 -3.354 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.173 3.534 -4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.329 4.753 -6.483 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.826 5.763 -5.104 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.227 6.000 -5.851 1.00 0.00 H new ATOM 355 N THR A 23 -9.078 4.074 -5.408 1.00 0.00 N ATOM 356 CA THR A 23 -7.884 3.420 -5.930 1.00 0.00 C ATOM 357 C THR A 23 -7.400 2.344 -4.982 1.00 0.00 C ATOM 358 O THR A 23 -7.323 1.182 -5.367 1.00 0.00 O ATOM 359 CB THR A 23 -6.775 4.428 -6.189 1.00 0.00 C ATOM 360 OG1 THR A 23 -7.233 5.253 -7.224 1.00 0.00 O ATOM 361 CG2 THR A 23 -5.476 3.766 -6.647 1.00 0.00 C ATOM 0 H THR A 23 -8.933 5.055 -5.171 1.00 0.00 H new ATOM 0 HA THR A 23 -8.152 2.954 -6.878 1.00 0.00 H new ATOM 0 HB THR A 23 -6.556 4.966 -5.267 1.00 0.00 H new ATOM 0 HG1 THR A 23 -7.981 5.798 -6.901 1.00 0.00 H new ATOM 0 HG21 THR A 23 -4.718 4.531 -6.818 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.128 3.076 -5.878 1.00 0.00 H new ATOM 0 HG23 THR A 23 -5.653 3.218 -7.573 1.00 0.00 H new ATOM 369 N ALA A 24 -7.056 2.686 -3.743 1.00 0.00 N ATOM 370 CA ALA A 24 -6.542 1.724 -2.773 1.00 0.00 C ATOM 371 C ALA A 24 -7.362 0.423 -2.683 1.00 0.00 C ATOM 372 O ALA A 24 -6.841 -0.682 -2.873 1.00 0.00 O ATOM 373 CB ALA A 24 -6.502 2.441 -1.433 1.00 0.00 C ATOM 0 H ALA A 24 -7.126 3.638 -3.384 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.553 1.394 -3.090 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.123 1.763 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -5.847 3.309 -1.504 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.507 2.766 -1.164 1.00 0.00 H new ATOM 379 N GLN A 25 -8.654 0.575 -2.398 1.00 0.00 N ATOM 380 CA GLN A 25 -9.643 -0.502 -2.375 1.00 0.00 C ATOM 381 C GLN A 25 -9.740 -1.202 -3.722 1.00 0.00 C ATOM 382 O GLN A 25 -9.737 -2.433 -3.746 1.00 0.00 O ATOM 383 CB GLN A 25 -11.037 0.040 -2.017 1.00 0.00 C ATOM 384 CG GLN A 25 -11.257 0.085 -0.507 1.00 0.00 C ATOM 385 CD GLN A 25 -11.973 -1.167 -0.003 1.00 0.00 C ATOM 386 OE1 GLN A 25 -11.757 -2.285 -0.439 1.00 0.00 O ATOM 387 NE2 GLN A 25 -12.840 -1.033 0.972 1.00 0.00 N ATOM 0 H GLN A 25 -9.056 1.484 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.311 -1.213 -1.619 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.155 1.041 -2.432 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.800 -0.588 -2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.296 0.183 -0.002 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -11.843 0.968 -0.251 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.039 -0.108 1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -13.316 -1.853 1.348 1.00 0.00 H new ATOM 396 N ALA A 26 -9.832 -0.449 -4.829 1.00 0.00 N ATOM 397 CA ALA A 26 -9.885 -1.015 -6.174 1.00 0.00 C ATOM 398 C ALA A 26 -8.755 -2.008 -6.372 1.00 0.00 C ATOM 399 O ALA A 26 -9.036 -3.150 -6.733 1.00 0.00 O ATOM 400 CB ALA A 26 -9.848 0.066 -7.263 1.00 0.00 C ATOM 0 H ALA A 26 -9.871 0.570 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 26 -10.839 -1.533 -6.270 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.890 -0.405 -8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.702 0.732 -7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.925 0.640 -7.175 1.00 0.00 H new ATOM 406 N GLN A 27 -7.517 -1.608 -6.082 1.00 0.00 N ATOM 407 CA GLN A 27 -6.334 -2.438 -6.247 1.00 0.00 C ATOM 408 C GLN A 27 -6.387 -3.688 -5.378 1.00 0.00 C ATOM 409 O GLN A 27 -6.302 -4.799 -5.905 1.00 0.00 O ATOM 410 CB GLN A 27 -5.083 -1.633 -5.917 1.00 0.00 C ATOM 411 CG GLN A 27 -4.850 -0.410 -6.803 1.00 0.00 C ATOM 412 CD GLN A 27 -4.508 -0.761 -8.241 1.00 0.00 C ATOM 413 OE1 GLN A 27 -5.253 -1.379 -8.982 1.00 0.00 O ATOM 414 NE2 GLN A 27 -3.331 -0.394 -8.682 1.00 0.00 N ATOM 0 H GLN A 27 -7.309 -0.678 -5.719 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.303 -2.760 -7.288 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -5.143 -1.305 -4.879 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.216 -2.289 -5.994 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -5.745 0.213 -6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -4.041 0.186 -6.381 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.697 0.124 -8.073 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.048 -0.626 -9.634 1.00 0.00 H new ATOM 423 N ALA A 28 -6.596 -3.522 -4.066 1.00 0.00 N ATOM 424 CA ALA A 28 -6.744 -4.639 -3.127 1.00 0.00 C ATOM 425 C ALA A 28 -7.795 -5.644 -3.592 1.00 0.00 C ATOM 426 O ALA A 28 -7.522 -6.839 -3.677 1.00 0.00 O ATOM 427 CB ALA A 28 -7.126 -4.127 -1.741 1.00 0.00 C ATOM 0 H ALA A 28 -6.667 -2.605 -3.625 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.779 -5.144 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.231 -4.970 -1.058 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.349 -3.457 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -8.071 -3.588 -1.800 1.00 0.00 H new ATOM 433 N ARG A 29 -8.998 -5.165 -3.926 1.00 0.00 N ATOM 434 CA ARG A 29 -10.072 -6.014 -4.442 1.00 0.00 C ATOM 435 C ARG A 29 -9.649 -6.705 -5.734 1.00 0.00 C ATOM 436 O ARG A 29 -9.982 -7.869 -5.935 1.00 0.00 O ATOM 437 CB ARG A 29 -11.343 -5.168 -4.603 1.00 0.00 C ATOM 438 CG ARG A 29 -12.589 -6.030 -4.880 1.00 0.00 C ATOM 439 CD ARG A 29 -12.741 -6.334 -6.379 1.00 0.00 C ATOM 440 NE ARG A 29 -14.110 -6.735 -6.742 1.00 0.00 N ATOM 441 CZ ARG A 29 -14.637 -6.677 -7.950 1.00 0.00 C ATOM 442 NH1 ARG A 29 -13.951 -6.201 -8.952 1.00 0.00 N ATOM 443 NH2 ARG A 29 -15.854 -7.067 -8.178 1.00 0.00 N ATOM 0 H ARG A 29 -9.252 -4.180 -3.846 1.00 0.00 H new ATOM 0 HA ARG A 29 -10.289 -6.814 -3.735 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.503 -4.582 -3.698 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -11.205 -4.461 -5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.517 -6.964 -4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -13.478 -5.512 -4.521 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.461 -5.452 -6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -12.049 -7.129 -6.656 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.704 -7.089 -5.993 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -12.998 -5.869 -8.806 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -14.368 -6.161 -9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -16.425 -7.428 -7.414 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -16.239 -7.012 -9.121 1.00 0.00 H new ATOM 457 N LYS A 30 -8.955 -5.985 -6.626 1.00 0.00 N ATOM 458 CA LYS A 30 -8.488 -6.468 -7.932 1.00 0.00 C ATOM 459 C LYS A 30 -7.528 -7.634 -7.782 1.00 0.00 C ATOM 460 O LYS A 30 -7.795 -8.699 -8.332 1.00 0.00 O ATOM 461 CB LYS A 30 -7.817 -5.335 -8.747 1.00 0.00 C ATOM 462 CG LYS A 30 -7.938 -5.591 -10.246 1.00 0.00 C ATOM 463 CD LYS A 30 -9.305 -5.095 -10.745 1.00 0.00 C ATOM 464 CE LYS A 30 -9.561 -5.579 -12.173 1.00 0.00 C ATOM 465 NZ LYS A 30 -10.898 -5.179 -12.672 1.00 0.00 N ATOM 0 H LYS A 30 -8.694 -5.015 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.368 -6.812 -8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.281 -4.381 -8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.765 -5.259 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.137 -5.078 -10.779 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.828 -6.655 -10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.093 -5.457 -10.085 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -9.338 -4.006 -10.712 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.794 -5.176 -12.834 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -9.473 -6.665 -12.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.025 -5.529 -13.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.633 -5.585 -12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.975 -4.142 -12.665 1.00 0.00 H new ATOM 479 N ALA A 31 -6.393 -7.392 -7.135 1.00 0.00 N ATOM 480 CA ALA A 31 -5.399 -8.413 -6.852 1.00 0.00 C ATOM 481 C ALA A 31 -5.952 -9.525 -5.957 1.00 0.00 C ATOM 482 O ALA A 31 -5.530 -10.671 -6.103 1.00 0.00 O ATOM 483 CB ALA A 31 -4.171 -7.740 -6.241 1.00 0.00 C ATOM 0 H ALA A 31 -6.137 -6.467 -6.789 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.114 -8.904 -7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.414 -8.493 -6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.766 -7.013 -6.945 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.455 -7.233 -5.319 1.00 0.00 H new ATOM 489 N GLY A 32 -6.914 -9.197 -5.092 1.00 0.00 N ATOM 490 CA GLY A 32 -7.510 -10.107 -4.129 1.00 0.00 C ATOM 491 C GLY A 32 -6.470 -10.687 -3.174 1.00 0.00 C ATOM 492 O GLY A 32 -5.377 -10.149 -3.001 1.00 0.00 O ATOM 0 H GLY A 32 -7.308 -8.257 -5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -8.274 -9.581 -3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.010 -10.919 -4.658 1.00 0.00 H new ATOM 496 N LEU A 33 -6.817 -11.778 -2.503 1.00 0.00 N ATOM 497 CA LEU A 33 -5.924 -12.458 -1.553 1.00 0.00 C ATOM 498 C LEU A 33 -5.219 -13.659 -2.192 1.00 0.00 C ATOM 499 O LEU A 33 -5.096 -14.725 -1.587 1.00 0.00 O ATOM 500 CB LEU A 33 -6.708 -12.888 -0.323 1.00 0.00 C ATOM 501 CG LEU A 33 -7.651 -11.809 0.220 1.00 0.00 C ATOM 502 CD1 LEU A 33 -8.829 -12.471 0.863 1.00 0.00 C ATOM 503 CD2 LEU A 33 -6.959 -10.963 1.259 1.00 0.00 C ATOM 0 H LEU A 33 -7.729 -12.224 -2.598 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.149 -11.752 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.290 -13.776 -0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.007 -13.173 0.462 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.962 -11.174 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.506 -11.711 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.352 -13.079 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.488 -13.106 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.649 -10.205 1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.636 -11.595 2.087 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.091 -10.477 0.813 1.00 0.00 H new ATOM 515 N THR A 34 -4.780 -13.490 -3.436 1.00 0.00 N ATOM 516 CA THR A 34 -4.194 -14.574 -4.218 1.00 0.00 C ATOM 517 C THR A 34 -3.162 -14.026 -5.193 1.00 0.00 C ATOM 518 O THR A 34 -3.485 -13.285 -6.123 1.00 0.00 O ATOM 519 CB THR A 34 -5.252 -15.364 -5.014 1.00 0.00 C ATOM 520 OG1 THR A 34 -6.326 -15.830 -4.237 1.00 0.00 O ATOM 521 CG2 THR A 34 -4.610 -16.599 -5.655 1.00 0.00 C ATOM 0 H THR A 34 -4.820 -12.598 -3.930 1.00 0.00 H new ATOM 0 HA THR A 34 -3.724 -15.252 -3.505 1.00 0.00 H new ATOM 0 HB THR A 34 -5.637 -14.658 -5.749 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.955 -16.319 -4.808 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.364 -17.152 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.813 -16.286 -6.330 1.00 0.00 H new ATOM 0 HG23 THR A 34 -4.195 -17.239 -4.876 1.00 0.00 H new ATOM 529 N THR A 35 -1.913 -14.447 -5.030 1.00 0.00 N ATOM 530 CA THR A 35 -0.795 -14.088 -5.905 1.00 0.00 C ATOM 531 C THR A 35 -0.022 -15.313 -6.351 1.00 0.00 C ATOM 532 O THR A 35 -0.178 -16.384 -5.771 1.00 0.00 O ATOM 533 CB THR A 35 0.150 -13.146 -5.176 1.00 0.00 C ATOM 534 OG1 THR A 35 1.042 -12.613 -6.107 1.00 0.00 O ATOM 535 CG2 THR A 35 0.979 -13.823 -4.084 1.00 0.00 C ATOM 0 H THR A 35 -1.639 -15.064 -4.266 1.00 0.00 H new ATOM 0 HA THR A 35 -1.210 -13.599 -6.787 1.00 0.00 H new ATOM 0 HB THR A 35 -0.472 -12.391 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.536 -11.871 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.628 -13.086 -3.610 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.313 -14.254 -3.336 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.588 -14.612 -4.526 1.00 0.00 H new ATOM 543 N GLY A 36 0.828 -15.137 -7.358 1.00 0.00 N ATOM 544 CA GLY A 36 1.752 -16.167 -7.838 1.00 0.00 C ATOM 545 C GLY A 36 2.056 -16.081 -9.328 1.00 0.00 C ATOM 546 O GLY A 36 3.066 -16.607 -9.769 1.00 0.00 O ATOM 0 H GLY A 36 0.898 -14.260 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.686 -16.090 -7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.331 -17.148 -7.620 1.00 0.00 H new ATOM 550 N LYS A 37 1.198 -15.377 -10.078 1.00 0.00 N ATOM 551 CA LYS A 37 1.352 -15.068 -11.507 1.00 0.00 C ATOM 552 C LYS A 37 2.684 -14.359 -11.784 1.00 0.00 C ATOM 553 O LYS A 37 3.459 -14.790 -12.620 1.00 0.00 O ATOM 554 CB LYS A 37 0.133 -14.275 -12.033 1.00 0.00 C ATOM 555 CG LYS A 37 -0.400 -13.179 -11.094 1.00 0.00 C ATOM 556 CD LYS A 37 -1.524 -13.679 -10.177 1.00 0.00 C ATOM 557 CE LYS A 37 -2.889 -13.385 -10.803 1.00 0.00 C ATOM 558 NZ LYS A 37 -3.906 -13.162 -9.743 1.00 0.00 N ATOM 0 H LYS A 37 0.339 -14.990 -9.688 1.00 0.00 H new ATOM 0 HA LYS A 37 1.382 -16.006 -12.061 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.404 -13.815 -12.983 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.675 -14.978 -12.238 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.419 -12.799 -10.484 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.767 -12.343 -11.690 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.416 -14.751 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.451 -13.195 -9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.821 -12.505 -11.442 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.192 -14.217 -11.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.828 -12.964 -10.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.981 -14.013 -9.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.622 -12.353 -9.154 1.00 0.00 H new ATOM 572 N SER A 38 2.985 -13.316 -11.007 1.00 0.00 N ATOM 573 CA SER A 38 4.204 -12.511 -11.147 1.00 0.00 C ATOM 574 C SER A 38 4.906 -12.259 -9.820 1.00 0.00 C ATOM 575 O SER A 38 6.047 -12.667 -9.617 1.00 0.00 O ATOM 576 CB SER A 38 3.858 -11.195 -11.830 1.00 0.00 C ATOM 577 OG SER A 38 2.882 -10.493 -11.059 1.00 0.00 O ATOM 0 H SER A 38 2.379 -13.001 -10.250 1.00 0.00 H new ATOM 0 HA SER A 38 4.907 -13.078 -11.758 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.755 -10.585 -11.941 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.475 -11.385 -12.833 1.00 0.00 H new ATOM 0 HG SER A 38 2.064 -10.383 -11.588 1.00 0.00 H new ATOM 583 N GLY A 39 4.236 -11.551 -8.920 1.00 0.00 N ATOM 584 CA GLY A 39 4.756 -11.186 -7.617 1.00 0.00 C ATOM 585 C GLY A 39 3.701 -10.553 -6.733 1.00 0.00 C ATOM 586 O GLY A 39 3.772 -10.738 -5.524 1.00 0.00 O ATOM 0 H GLY A 39 3.290 -11.207 -9.085 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.154 -12.074 -7.125 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.587 -10.491 -7.741 1.00 0.00 H new ATOM 590 N ASP A 40 2.758 -9.809 -7.323 1.00 0.00 N ATOM 591 CA ASP A 40 1.730 -9.061 -6.615 1.00 0.00 C ATOM 592 C ASP A 40 0.335 -9.728 -6.746 1.00 0.00 C ATOM 593 O ASP A 40 -0.019 -10.273 -7.801 1.00 0.00 O ATOM 594 CB ASP A 40 1.675 -7.577 -7.032 1.00 0.00 C ATOM 595 CG ASP A 40 3.016 -6.906 -7.389 1.00 0.00 C ATOM 596 OD1 ASP A 40 3.730 -7.354 -8.306 1.00 0.00 O ATOM 597 OD2 ASP A 40 3.395 -5.937 -6.696 1.00 0.00 O ATOM 0 H ASP A 40 2.693 -9.713 -8.336 1.00 0.00 H new ATOM 0 HA ASP A 40 2.015 -9.084 -5.563 1.00 0.00 H new ATOM 0 HB2 ASP A 40 1.012 -7.490 -7.893 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.218 -7.012 -6.219 1.00 0.00 H new ATOM 602 N PRO A 41 -0.500 -9.673 -5.686 1.00 0.00 N ATOM 603 CA PRO A 41 -0.222 -9.080 -4.368 1.00 0.00 C ATOM 604 C PRO A 41 0.833 -9.821 -3.564 1.00 0.00 C ATOM 605 O PRO A 41 1.370 -10.808 -4.031 1.00 0.00 O ATOM 606 CB PRO A 41 -1.560 -9.088 -3.639 1.00 0.00 C ATOM 607 CG PRO A 41 -2.291 -10.281 -4.245 1.00 0.00 C ATOM 608 CD PRO A 41 -1.809 -10.307 -5.694 1.00 0.00 C ATOM 0 HA PRO A 41 0.194 -8.080 -4.493 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.430 -9.202 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.108 -8.159 -3.797 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.045 -11.207 -3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.373 -10.160 -4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.746 -11.329 -6.067 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.499 -9.771 -6.346 1.00 0.00 H new ATOM 616 N HIS A 42 1.178 -9.350 -2.373 1.00 0.00 N ATOM 617 CA HIS A 42 2.204 -10.002 -1.546 1.00 0.00 C ATOM 618 C HIS A 42 1.631 -10.262 -0.168 1.00 0.00 C ATOM 619 O HIS A 42 0.810 -9.487 0.314 1.00 0.00 O ATOM 620 CB HIS A 42 3.492 -9.166 -1.467 1.00 0.00 C ATOM 621 CG HIS A 42 3.728 -8.236 -2.625 1.00 0.00 C ATOM 622 ND1 HIS A 42 3.138 -6.999 -2.776 1.00 0.00 N ATOM 623 CD2 HIS A 42 4.483 -8.502 -3.730 1.00 0.00 C ATOM 624 CE1 HIS A 42 3.569 -6.499 -3.947 1.00 0.00 C ATOM 625 NE2 HIS A 42 4.362 -7.400 -4.558 1.00 0.00 N ATOM 0 H HIS A 42 0.766 -8.518 -1.951 1.00 0.00 H new ATOM 0 HA HIS A 42 2.481 -10.949 -2.009 1.00 0.00 H new ATOM 0 HB2 HIS A 42 3.468 -8.578 -0.550 1.00 0.00 H new ATOM 0 HB3 HIS A 42 4.341 -9.845 -1.389 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.060 -9.395 -3.920 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.318 -5.524 -4.338 1.00 0.00 H new ATOM 0 HE2 HIS A 42 4.798 -7.289 -5.473 1.00 0.00 H new ATOM 634 N ARG A 43 2.032 -11.362 0.461 1.00 0.00 N ATOM 635 CA ARG A 43 1.613 -11.701 1.822 1.00 0.00 C ATOM 636 C ARG A 43 2.201 -10.697 2.800 1.00 0.00 C ATOM 637 O ARG A 43 3.416 -10.628 2.927 1.00 0.00 O ATOM 638 CB ARG A 43 2.093 -13.114 2.160 1.00 0.00 C ATOM 639 CG ARG A 43 1.070 -14.159 1.694 1.00 0.00 C ATOM 640 CD ARG A 43 -0.127 -14.270 2.657 1.00 0.00 C ATOM 641 NE ARG A 43 0.311 -14.671 4.009 1.00 0.00 N ATOM 642 CZ ARG A 43 0.648 -15.887 4.400 1.00 0.00 C ATOM 643 NH1 ARG A 43 0.578 -16.909 3.596 1.00 0.00 N ATOM 644 NH2 ARG A 43 1.052 -16.105 5.613 1.00 0.00 N ATOM 0 H ARG A 43 2.659 -12.048 0.042 1.00 0.00 H new ATOM 0 HA ARG A 43 0.526 -11.666 1.894 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.055 -13.301 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.248 -13.204 3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.711 -13.895 0.699 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.558 -15.130 1.610 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.645 -13.313 2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.841 -14.998 2.272 1.00 0.00 H new ATOM 0 HE ARG A 43 0.358 -13.934 4.713 1.00 0.00 H new ATOM 0 HH11 ARG A 43 0.256 -16.782 2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.845 -17.837 3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.112 -15.333 6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.309 -17.048 5.903 1.00 0.00 H new ATOM 658 N TYR A 44 1.335 -9.976 3.495 1.00 0.00 N ATOM 659 CA TYR A 44 1.738 -9.081 4.572 1.00 0.00 C ATOM 660 C TYR A 44 1.714 -9.867 5.882 1.00 0.00 C ATOM 661 O TYR A 44 0.788 -10.643 6.159 1.00 0.00 O ATOM 662 CB TYR A 44 0.821 -7.857 4.573 1.00 0.00 C ATOM 663 CG TYR A 44 1.133 -6.768 5.579 1.00 0.00 C ATOM 664 CD1 TYR A 44 1.078 -7.007 6.968 1.00 0.00 C ATOM 665 CD2 TYR A 44 1.486 -5.488 5.119 1.00 0.00 C ATOM 666 CE1 TYR A 44 1.402 -5.999 7.880 1.00 0.00 C ATOM 667 CE2 TYR A 44 1.791 -4.463 6.030 1.00 0.00 C ATOM 668 CZ TYR A 44 1.722 -4.718 7.412 1.00 0.00 C ATOM 669 OH TYR A 44 1.886 -3.738 8.326 1.00 0.00 O ATOM 0 H TYR A 44 0.329 -9.994 3.328 1.00 0.00 H new ATOM 0 HA TYR A 44 2.753 -8.707 4.437 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.844 -7.415 3.577 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.200 -8.198 4.747 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.782 -7.980 7.331 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.523 -5.291 4.058 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.406 -6.206 8.940 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.077 -3.485 5.672 1.00 0.00 H new ATOM 0 HH TYR A 44 1.984 -4.135 9.217 1.00 0.00 H new ATOM 679 N PHE A 45 2.740 -9.663 6.700 1.00 0.00 N ATOM 680 CA PHE A 45 2.810 -10.180 8.055 1.00 0.00 C ATOM 681 C PHE A 45 2.953 -9.059 9.074 1.00 0.00 C ATOM 682 O PHE A 45 3.499 -8.013 8.757 1.00 0.00 O ATOM 683 CB PHE A 45 3.992 -11.155 8.125 1.00 0.00 C ATOM 684 CG PHE A 45 3.776 -12.272 9.117 1.00 0.00 C ATOM 685 CD1 PHE A 45 2.599 -13.042 9.051 1.00 0.00 C ATOM 686 CD2 PHE A 45 4.744 -12.549 10.097 1.00 0.00 C ATOM 687 CE1 PHE A 45 2.386 -14.083 9.969 1.00 0.00 C ATOM 688 CE2 PHE A 45 4.534 -13.597 11.010 1.00 0.00 C ATOM 689 CZ PHE A 45 3.355 -14.360 10.946 1.00 0.00 C ATOM 0 H PHE A 45 3.562 -9.122 6.431 1.00 0.00 H new ATOM 0 HA PHE A 45 1.884 -10.699 8.302 1.00 0.00 H new ATOM 0 HB2 PHE A 45 4.163 -11.582 7.137 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.894 -10.606 8.395 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.859 -12.832 8.293 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.647 -11.958 10.149 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.480 -14.669 9.923 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.279 -13.816 11.761 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.194 -15.162 11.651 1.00 0.00 H new ATOM 699 N ALA A 46 2.567 -9.308 10.325 1.00 0.00 N ATOM 700 CA ALA A 46 2.732 -8.335 11.411 1.00 0.00 C ATOM 701 C ALA A 46 4.179 -7.882 11.673 1.00 0.00 C ATOM 702 O ALA A 46 4.406 -7.003 12.496 1.00 0.00 O ATOM 703 CB ALA A 46 2.246 -8.974 12.696 1.00 0.00 C ATOM 0 H ALA A 46 2.133 -10.184 10.616 1.00 0.00 H new ATOM 0 HA ALA A 46 2.168 -7.455 11.101 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.359 -8.268 13.519 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.195 -9.246 12.593 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.833 -9.869 12.902 1.00 0.00 H new ATOM 709 N GLY A 47 5.163 -8.538 11.041 1.00 0.00 N ATOM 710 CA GLY A 47 6.580 -8.169 11.003 1.00 0.00 C ATOM 711 C GLY A 47 6.824 -6.661 10.955 1.00 0.00 C ATOM 712 O GLY A 47 7.640 -6.134 11.721 1.00 0.00 O ATOM 0 H GLY A 47 4.977 -9.390 10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.077 -8.580 11.882 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.043 -8.630 10.131 1.00 0.00 H new ATOM 716 N ASP A 48 6.119 -5.964 10.061 1.00 0.00 N ATOM 717 CA ASP A 48 6.168 -4.512 9.979 1.00 0.00 C ATOM 718 C ASP A 48 5.657 -3.871 11.274 1.00 0.00 C ATOM 719 O ASP A 48 4.596 -4.197 11.793 1.00 0.00 O ATOM 720 CB ASP A 48 5.324 -4.010 8.813 1.00 0.00 C ATOM 721 CG ASP A 48 5.640 -4.722 7.503 1.00 0.00 C ATOM 722 OD1 ASP A 48 6.644 -4.303 6.883 1.00 0.00 O ATOM 723 OD2 ASP A 48 4.910 -5.682 7.180 1.00 0.00 O ATOM 0 H ASP A 48 5.499 -6.396 9.375 1.00 0.00 H new ATOM 0 HA ASP A 48 7.209 -4.229 9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.269 -4.146 9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.487 -2.940 8.687 1.00 0.00 H new ATOM 728 N HIS A 49 6.382 -2.871 11.777 1.00 0.00 N ATOM 729 CA HIS A 49 6.077 -2.180 13.041 1.00 0.00 C ATOM 730 C HIS A 49 4.900 -1.195 12.918 1.00 0.00 C ATOM 731 O HIS A 49 5.019 -0.020 13.267 1.00 0.00 O ATOM 732 CB HIS A 49 7.338 -1.481 13.588 1.00 0.00 C ATOM 733 CG HIS A 49 8.578 -2.341 13.629 1.00 0.00 C ATOM 734 ND1 HIS A 49 9.135 -2.893 14.764 1.00 0.00 N ATOM 735 CD2 HIS A 49 9.353 -2.694 12.557 1.00 0.00 C ATOM 736 CE1 HIS A 49 10.234 -3.582 14.385 1.00 0.00 C ATOM 737 NE2 HIS A 49 10.375 -3.484 13.044 1.00 0.00 N ATOM 0 H HIS A 49 7.214 -2.508 11.312 1.00 0.00 H new ATOM 0 HA HIS A 49 5.759 -2.941 13.753 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.543 -0.603 12.975 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.128 -1.124 14.596 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.195 -2.409 11.527 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.894 -4.124 15.047 1.00 0.00 H new ATOM 0 HE2 HIS A 49 11.111 -3.919 12.487 1.00 0.00 H new ATOM 746 N ILE A 50 3.763 -1.650 12.405 1.00 0.00 N ATOM 747 CA ILE A 50 2.603 -0.828 12.070 1.00 0.00 C ATOM 748 C ILE A 50 1.407 -1.300 12.884 1.00 0.00 C ATOM 749 O ILE A 50 1.230 -2.481 13.136 1.00 0.00 O ATOM 750 CB ILE A 50 2.278 -0.858 10.557 1.00 0.00 C ATOM 751 CG1 ILE A 50 3.520 -1.030 9.674 1.00 0.00 C ATOM 752 CG2 ILE A 50 1.544 0.443 10.231 1.00 0.00 C ATOM 753 CD1 ILE A 50 3.253 -0.879 8.176 1.00 0.00 C ATOM 0 H ILE A 50 3.617 -2.639 12.203 1.00 0.00 H new ATOM 0 HA ILE A 50 2.837 0.207 12.317 1.00 0.00 H new ATOM 0 HB ILE A 50 1.658 -1.728 10.341 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.269 -0.297 9.973 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.948 -2.016 9.857 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.295 0.464 9.170 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.629 0.502 10.820 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.185 1.292 10.470 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.184 -1.015 7.625 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.530 -1.630 7.858 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.855 0.116 7.976 1.00 0.00 H new ATOM 765 N ARG A 51 0.545 -0.365 13.280 1.00 0.00 N ATOM 766 CA ARG A 51 -0.633 -0.615 14.092 1.00 0.00 C ATOM 767 C ARG A 51 -1.822 -0.013 13.380 1.00 0.00 C ATOM 768 O ARG A 51 -2.130 1.174 13.410 1.00 0.00 O ATOM 769 CB ARG A 51 -0.400 -0.148 15.528 1.00 0.00 C ATOM 770 CG ARG A 51 -0.695 1.329 15.762 1.00 0.00 C ATOM 771 CD ARG A 51 0.132 2.267 14.845 1.00 0.00 C ATOM 772 NE ARG A 51 -0.140 3.691 15.100 1.00 0.00 N ATOM 773 CZ ARG A 51 0.496 4.430 15.984 1.00 0.00 C ATOM 774 NH1 ARG A 51 1.454 3.930 16.707 1.00 0.00 N ATOM 775 NH2 ARG A 51 0.189 5.680 16.146 1.00 0.00 N ATOM 0 H ARG A 51 0.656 0.619 13.033 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.847 -1.678 14.202 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.024 -0.742 16.197 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.637 -0.347 15.799 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.757 1.512 15.596 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.488 1.574 16.804 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.194 2.071 14.994 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.091 2.039 13.803 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.875 4.138 14.552 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.722 2.952 16.593 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.938 4.515 17.388 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.552 6.100 15.585 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.689 6.243 16.834 1.00 0.00 H new ATOM 789 N TRP A 52 -2.495 -0.813 12.620 1.00 0.00 N ATOM 790 CA TRP A 52 -3.746 -0.339 11.996 1.00 0.00 C ATOM 791 C TRP A 52 -4.860 -0.032 13.015 1.00 0.00 C ATOM 792 O TRP A 52 -5.906 0.470 12.632 1.00 0.00 O ATOM 793 CB TRP A 52 -4.201 -1.333 10.978 1.00 0.00 C ATOM 794 CG TRP A 52 -3.136 -1.699 9.990 1.00 0.00 C ATOM 795 CD1 TRP A 52 -2.250 -2.718 10.112 1.00 0.00 C ATOM 796 CD2 TRP A 52 -2.766 -0.984 8.771 1.00 0.00 C ATOM 797 NE1 TRP A 52 -1.376 -2.695 9.041 1.00 0.00 N ATOM 798 CE2 TRP A 52 -1.631 -1.630 8.204 1.00 0.00 C ATOM 799 CE3 TRP A 52 -3.227 0.189 8.129 1.00 0.00 C ATOM 800 CZ2 TRP A 52 -1.013 -1.153 7.045 1.00 0.00 C ATOM 801 CZ3 TRP A 52 -2.611 0.687 6.970 1.00 0.00 C ATOM 802 CH2 TRP A 52 -1.532 -0.008 6.410 1.00 0.00 C ATOM 0 H TRP A 52 -2.234 -1.775 12.403 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.528 0.612 11.510 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.540 -2.235 11.487 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -5.060 -0.927 10.443 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.230 -3.435 10.919 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.636 -3.380 8.889 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -4.075 0.715 8.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.147 -1.657 6.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -2.967 1.599 6.514 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -1.095 0.336 5.485 1.00 0.00 H new ATOM 813 N GLY A 53 -4.635 -0.300 14.306 1.00 0.00 N ATOM 814 CA GLY A 53 -5.612 -0.167 15.390 1.00 0.00 C ATOM 815 C GLY A 53 -6.617 -1.314 15.425 1.00 0.00 C ATOM 816 O GLY A 53 -7.174 -1.603 16.474 1.00 0.00 O ATOM 0 H GLY A 53 -3.728 -0.629 14.637 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.086 -0.122 16.344 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -6.147 0.776 15.277 1.00 0.00 H new ATOM 820 N VAL A 54 -6.846 -1.976 14.290 1.00 0.00 N ATOM 821 CA VAL A 54 -7.777 -3.098 14.174 1.00 0.00 C ATOM 822 C VAL A 54 -7.195 -4.271 14.930 1.00 0.00 C ATOM 823 O VAL A 54 -6.122 -4.732 14.552 1.00 0.00 O ATOM 824 CB VAL A 54 -8.003 -3.496 12.706 1.00 0.00 C ATOM 825 CG1 VAL A 54 -8.951 -4.704 12.603 1.00 0.00 C ATOM 826 CG2 VAL A 54 -8.561 -2.329 11.883 1.00 0.00 C ATOM 0 H VAL A 54 -6.382 -1.744 13.412 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.741 -2.803 14.588 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.031 -3.770 12.296 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.095 -4.966 11.555 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.518 -5.553 13.133 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -9.913 -4.451 13.049 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -8.707 -2.649 10.851 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.515 -2.011 12.303 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.858 -1.497 11.909 1.00 0.00 H new ATOM 836 N ASN A 55 -7.926 -4.803 15.911 1.00 0.00 N ATOM 837 CA ASN A 55 -7.509 -5.958 16.709 1.00 0.00 C ATOM 838 C ASN A 55 -6.979 -7.101 15.843 1.00 0.00 C ATOM 839 O ASN A 55 -6.017 -7.743 16.214 1.00 0.00 O ATOM 840 CB ASN A 55 -8.703 -6.483 17.522 1.00 0.00 C ATOM 841 CG ASN A 55 -9.059 -5.616 18.708 1.00 0.00 C ATOM 842 OD1 ASN A 55 -9.347 -4.443 18.582 1.00 0.00 O ATOM 843 ND2 ASN A 55 -9.106 -6.189 19.884 1.00 0.00 N ATOM 0 H ASN A 55 -8.840 -4.437 16.178 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.706 -5.620 17.364 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.571 -6.561 16.867 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.477 -7.490 17.874 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.386 -5.650 20.703 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.863 -7.175 19.981 1.00 0.00 H new ATOM 850 N ASN A 56 -7.611 -7.350 14.693 1.00 0.00 N ATOM 851 CA ASN A 56 -7.164 -8.329 13.703 1.00 0.00 C ATOM 852 C ASN A 56 -5.839 -7.953 13.030 1.00 0.00 C ATOM 853 O ASN A 56 -4.885 -8.702 13.140 1.00 0.00 O ATOM 854 CB ASN A 56 -8.250 -8.531 12.638 1.00 0.00 C ATOM 855 CG ASN A 56 -8.101 -9.859 11.924 1.00 0.00 C ATOM 856 OD1 ASN A 56 -7.175 -10.628 12.093 1.00 0.00 O ATOM 857 ND2 ASN A 56 -9.050 -10.188 11.092 1.00 0.00 N ATOM 0 H ASN A 56 -8.466 -6.865 14.420 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.987 -9.258 14.244 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -9.233 -8.479 13.107 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.201 -7.720 11.911 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.007 -11.078 10.596 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.835 -9.555 10.938 1.00 0.00 H new ATOM 864 N CYS A 57 -5.781 -6.831 12.307 1.00 0.00 N ATOM 865 CA CYS A 57 -4.548 -6.376 11.665 1.00 0.00 C ATOM 866 C CYS A 57 -3.367 -6.193 12.634 1.00 0.00 C ATOM 867 O CYS A 57 -2.233 -6.244 12.177 1.00 0.00 O ATOM 868 CB CYS A 57 -4.815 -5.045 10.975 1.00 0.00 C ATOM 869 SG CYS A 57 -6.112 -5.062 9.708 1.00 0.00 S ATOM 0 H CYS A 57 -6.581 -6.218 12.152 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.261 -7.157 10.960 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.084 -4.311 11.734 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -3.888 -4.703 10.515 1.00 0.00 H new ATOM 874 N ASP A 58 -3.637 -5.929 13.921 1.00 0.00 N ATOM 875 CA ASP A 58 -2.663 -5.871 15.023 1.00 0.00 C ATOM 876 C ASP A 58 -2.058 -7.241 15.378 1.00 0.00 C ATOM 877 O ASP A 58 -0.875 -7.319 15.702 1.00 0.00 O ATOM 878 CB ASP A 58 -3.356 -5.296 16.272 1.00 0.00 C ATOM 879 CG ASP A 58 -2.459 -5.365 17.510 1.00 0.00 C ATOM 880 OD1 ASP A 58 -1.435 -4.648 17.494 1.00 0.00 O ATOM 881 OD2 ASP A 58 -2.845 -6.087 18.458 1.00 0.00 O ATOM 0 H ASP A 58 -4.588 -5.741 14.238 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.843 -5.236 14.688 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.637 -4.259 16.086 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.277 -5.847 16.461 1.00 0.00 H new ATOM 886 N LYS A 59 -2.852 -8.324 15.303 1.00 0.00 N ATOM 887 CA LYS A 59 -2.404 -9.703 15.563 1.00 0.00 C ATOM 888 C LYS A 59 -1.070 -10.004 14.897 1.00 0.00 C ATOM 889 O LYS A 59 -0.844 -9.664 13.740 1.00 0.00 O ATOM 890 CB LYS A 59 -3.398 -10.737 15.010 1.00 0.00 C ATOM 891 CG LYS A 59 -4.759 -10.769 15.686 1.00 0.00 C ATOM 892 CD LYS A 59 -4.700 -11.416 17.072 1.00 0.00 C ATOM 893 CE LYS A 59 -4.610 -12.944 16.965 1.00 0.00 C ATOM 894 NZ LYS A 59 -5.821 -13.500 16.317 1.00 0.00 N ATOM 0 H LYS A 59 -3.840 -8.264 15.056 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.322 -9.776 16.647 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.545 -10.541 13.948 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.948 -11.726 15.092 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.142 -9.752 15.777 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.461 -11.319 15.060 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.837 -11.035 17.618 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.586 -11.140 17.644 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.726 -13.221 16.391 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.493 -13.376 17.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -5.944 -14.492 16.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.654 -12.949 16.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.716 -13.450 15.284 1.00 0.00 H new ATOM 908 N ALA A 60 -0.263 -10.797 15.595 1.00 0.00 N ATOM 909 CA ALA A 60 1.083 -11.119 15.150 1.00 0.00 C ATOM 910 C ALA A 60 1.082 -12.296 14.162 1.00 0.00 C ATOM 911 O ALA A 60 1.636 -12.214 13.069 1.00 0.00 O ATOM 912 CB ALA A 60 1.991 -11.365 16.359 1.00 0.00 C ATOM 0 H ALA A 60 -0.524 -11.231 16.480 1.00 0.00 H new ATOM 0 HA ALA A 60 1.486 -10.267 14.603 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.997 -11.606 16.015 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.024 -10.468 16.978 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.599 -12.196 16.945 1.00 0.00 H new ATOM 918 N ASP A 61 0.416 -13.394 14.532 1.00 0.00 N ATOM 919 CA ASP A 61 0.265 -14.612 13.727 1.00 0.00 C ATOM 920 C ASP A 61 -0.895 -14.534 12.709 1.00 0.00 C ATOM 921 O ASP A 61 -1.469 -15.538 12.289 1.00 0.00 O ATOM 922 CB ASP A 61 0.182 -15.823 14.674 1.00 0.00 C ATOM 923 CG ASP A 61 -1.218 -16.023 15.284 1.00 0.00 C ATOM 924 OD1 ASP A 61 -1.721 -15.057 15.916 1.00 0.00 O ATOM 925 OD2 ASP A 61 -1.783 -17.128 15.128 1.00 0.00 O ATOM 0 H ASP A 61 -0.051 -13.462 15.436 1.00 0.00 H new ATOM 0 HA ASP A 61 1.145 -14.729 13.094 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.465 -16.723 14.128 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.907 -15.697 15.478 1.00 0.00 H new ATOM 930 N ALA A 62 -1.259 -13.322 12.292 1.00 0.00 N ATOM 931 CA ALA A 62 -2.337 -13.110 11.339 1.00 0.00 C ATOM 932 C ALA A 62 -1.861 -13.268 9.887 1.00 0.00 C ATOM 933 O ALA A 62 -0.711 -13.577 9.574 1.00 0.00 O ATOM 934 CB ALA A 62 -2.979 -11.745 11.608 1.00 0.00 C ATOM 0 H ALA A 62 -0.812 -12.462 12.608 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.095 -13.881 11.476 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.789 -11.577 10.898 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.376 -11.723 12.623 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.229 -10.962 11.495 1.00 0.00 H new ATOM 940 N ILE A 63 -2.786 -13.050 8.956 1.00 0.00 N ATOM 941 CA ILE A 63 -2.532 -13.186 7.519 1.00 0.00 C ATOM 942 C ILE A 63 -3.060 -11.950 6.815 1.00 0.00 C ATOM 943 O ILE A 63 -4.267 -11.819 6.603 1.00 0.00 O ATOM 944 CB ILE A 63 -3.176 -14.462 6.960 1.00 0.00 C ATOM 945 CG1 ILE A 63 -2.754 -15.730 7.739 1.00 0.00 C ATOM 946 CG2 ILE A 63 -2.822 -14.596 5.460 1.00 0.00 C ATOM 947 CD1 ILE A 63 -3.690 -16.910 7.470 1.00 0.00 C ATOM 0 H ILE A 63 -3.742 -12.771 9.177 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.459 -13.273 7.345 1.00 0.00 H new ATOM 0 HB ILE A 63 -4.256 -14.374 7.079 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -1.737 -16.004 7.460 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.744 -15.512 8.807 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.277 -15.501 5.058 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.199 -13.729 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.740 -14.653 5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.354 -17.778 8.038 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -4.703 -16.647 7.774 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.680 -17.147 6.406 1.00 0.00 H new ATOM 959 N LEU A 64 -2.168 -11.029 6.479 1.00 0.00 N ATOM 960 CA LEU A 64 -2.513 -9.806 5.770 1.00 0.00 C ATOM 961 C LEU A 64 -1.979 -9.921 4.338 1.00 0.00 C ATOM 962 O LEU A 64 -1.374 -10.920 3.929 1.00 0.00 O ATOM 963 CB LEU A 64 -1.974 -8.594 6.577 1.00 0.00 C ATOM 964 CG LEU A 64 -2.692 -8.162 7.876 1.00 0.00 C ATOM 965 CD1 LEU A 64 -3.775 -7.135 7.556 1.00 0.00 C ATOM 966 CD2 LEU A 64 -3.316 -9.318 8.647 1.00 0.00 C ATOM 0 H LEU A 64 -1.174 -11.111 6.693 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.589 -9.650 5.686 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.937 -8.808 6.834 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.966 -7.734 5.907 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.922 -7.732 8.516 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.276 -6.836 8.477 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.321 -6.261 7.089 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.502 -7.574 6.873 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.801 -8.936 9.545 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.055 -9.817 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.539 -10.029 8.928 1.00 0.00 H new ATOM 978 N TRP A 65 -2.217 -8.882 3.559 1.00 0.00 N ATOM 979 CA TRP A 65 -1.749 -8.747 2.194 1.00 0.00 C ATOM 980 C TRP A 65 -1.433 -7.306 1.859 1.00 0.00 C ATOM 981 O TRP A 65 -2.057 -6.407 2.407 1.00 0.00 O ATOM 982 CB TRP A 65 -2.850 -9.243 1.279 1.00 0.00 C ATOM 983 CG TRP A 65 -2.984 -10.723 1.235 1.00 0.00 C ATOM 984 CD1 TRP A 65 -3.712 -11.486 2.075 1.00 0.00 C ATOM 985 CD2 TRP A 65 -2.300 -11.636 0.342 1.00 0.00 C ATOM 986 NE1 TRP A 65 -3.519 -12.818 1.744 1.00 0.00 N ATOM 987 CE2 TRP A 65 -2.664 -12.966 0.672 1.00 0.00 C ATOM 988 CE3 TRP A 65 -1.394 -11.458 -0.710 1.00 0.00 C ATOM 989 CZ2 TRP A 65 -2.161 -14.070 -0.034 1.00 0.00 C ATOM 990 CZ3 TRP A 65 -0.875 -12.545 -1.428 1.00 0.00 C ATOM 991 CH2 TRP A 65 -1.262 -13.859 -1.098 1.00 0.00 C ATOM 0 H TRP A 65 -2.762 -8.079 3.873 1.00 0.00 H new ATOM 0 HA TRP A 65 -0.834 -9.326 2.067 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -3.798 -8.813 1.603 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -2.662 -8.876 0.270 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -4.341 -11.120 2.873 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.958 -13.597 2.235 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -1.087 -10.457 -0.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -2.460 -15.072 0.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -0.178 -12.375 -2.235 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.873 -14.698 -1.656 1.00 0.00 H new ATOM 1002 N GLU A 66 -0.509 -7.105 0.924 1.00 0.00 N ATOM 1003 CA GLU A 66 -0.062 -5.800 0.458 1.00 0.00 C ATOM 1004 C GLU A 66 -0.079 -5.698 -1.071 1.00 0.00 C ATOM 1005 O GLU A 66 0.299 -6.640 -1.785 1.00 0.00 O ATOM 1006 CB GLU A 66 1.321 -5.438 1.008 1.00 0.00 C ATOM 1007 CG GLU A 66 2.396 -6.483 0.694 1.00 0.00 C ATOM 1008 CD GLU A 66 3.837 -5.969 0.736 1.00 0.00 C ATOM 1009 OE1 GLU A 66 4.047 -4.773 0.428 1.00 0.00 O ATOM 1010 OE2 GLU A 66 4.733 -6.832 0.667 1.00 0.00 O ATOM 0 H GLU A 66 -0.035 -7.876 0.454 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.777 -5.075 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.628 -4.477 0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.252 -5.313 2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.300 -7.305 1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.202 -6.893 -0.297 1.00 0.00 H new ATOM 1017 N TYR A 67 -0.432 -4.522 -1.586 1.00 0.00 N ATOM 1018 CA TYR A 67 -0.487 -4.306 -3.025 1.00 0.00 C ATOM 1019 C TYR A 67 -0.214 -2.841 -3.400 1.00 0.00 C ATOM 1020 O TYR A 67 -0.616 -1.937 -2.680 1.00 0.00 O ATOM 1021 CB TYR A 67 -1.851 -4.759 -3.550 1.00 0.00 C ATOM 1022 CG TYR A 67 -1.907 -4.837 -5.056 1.00 0.00 C ATOM 1023 CD1 TYR A 67 -1.529 -6.006 -5.721 1.00 0.00 C ATOM 1024 CD2 TYR A 67 -2.226 -3.704 -5.806 1.00 0.00 C ATOM 1025 CE1 TYR A 67 -1.528 -6.080 -7.120 1.00 0.00 C ATOM 1026 CE2 TYR A 67 -2.238 -3.758 -7.216 1.00 0.00 C ATOM 1027 CZ TYR A 67 -1.921 -4.964 -7.871 1.00 0.00 C ATOM 1028 OH TYR A 67 -1.994 -5.083 -9.218 1.00 0.00 O ATOM 0 H TYR A 67 -0.683 -3.707 -1.027 1.00 0.00 H new ATOM 0 HA TYR A 67 0.300 -4.898 -3.492 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.088 -5.737 -3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -2.617 -4.068 -3.199 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.232 -6.870 -5.145 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.466 -2.779 -5.303 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.226 -6.991 -7.616 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.489 -2.879 -7.790 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.685 -4.480 -9.563 1.00 0.00 H new ATOM 1038 N PRO A 68 0.524 -2.561 -4.478 1.00 0.00 N ATOM 1039 CA PRO A 68 0.894 -1.201 -4.896 1.00 0.00 C ATOM 1040 C PRO A 68 -0.275 -0.415 -5.485 1.00 0.00 C ATOM 1041 O PRO A 68 -1.157 -0.958 -6.140 1.00 0.00 O ATOM 1042 CB PRO A 68 1.969 -1.392 -5.954 1.00 0.00 C ATOM 1043 CG PRO A 68 1.679 -2.799 -6.469 1.00 0.00 C ATOM 1044 CD PRO A 68 1.167 -3.559 -5.294 1.00 0.00 C ATOM 0 HA PRO A 68 1.229 -0.622 -4.035 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.896 -0.647 -6.746 1.00 0.00 H new ATOM 0 HB3 PRO A 68 2.971 -1.312 -5.533 1.00 0.00 H new ATOM 0 HG2 PRO A 68 0.943 -2.778 -7.273 1.00 0.00 H new ATOM 0 HG3 PRO A 68 2.579 -3.262 -6.873 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.466 -4.337 -5.598 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.976 -4.052 -4.756 1.00 0.00 H new ATOM 1052 N ILE A 69 -0.255 0.902 -5.321 1.00 0.00 N ATOM 1053 CA ILE A 69 -1.368 1.748 -5.775 1.00 0.00 C ATOM 1054 C ILE A 69 -0.846 2.940 -6.563 1.00 0.00 C ATOM 1055 O ILE A 69 0.340 3.266 -6.538 1.00 0.00 O ATOM 1056 CB ILE A 69 -2.264 2.171 -4.589 1.00 0.00 C ATOM 1057 CG1 ILE A 69 -1.533 3.149 -3.655 1.00 0.00 C ATOM 1058 CG2 ILE A 69 -2.797 0.979 -3.760 1.00 0.00 C ATOM 1059 CD1 ILE A 69 -1.504 4.619 -4.126 1.00 0.00 C ATOM 0 H ILE A 69 0.511 1.411 -4.881 1.00 0.00 H new ATOM 0 HA ILE A 69 -1.997 1.166 -6.449 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.123 2.664 -5.044 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.005 3.109 -2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.506 2.805 -3.529 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.418 1.351 -2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.391 0.327 -4.400 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -1.958 0.417 -3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.965 5.224 -3.397 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.002 4.682 -5.091 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.524 4.990 -4.223 1.00 0.00 H new ATOM 1071 N TYR A 70 -1.740 3.644 -7.241 1.00 0.00 N ATOM 1072 CA TYR A 70 -1.381 4.825 -8.013 1.00 0.00 C ATOM 1073 C TYR A 70 -2.217 6.001 -7.542 1.00 0.00 C ATOM 1074 O TYR A 70 -3.423 6.001 -7.684 1.00 0.00 O ATOM 1075 CB TYR A 70 -1.553 4.532 -9.500 1.00 0.00 C ATOM 1076 CG TYR A 70 -0.520 3.553 -10.032 1.00 0.00 C ATOM 1077 CD1 TYR A 70 -0.515 2.218 -9.599 1.00 0.00 C ATOM 1078 CD2 TYR A 70 0.391 3.948 -11.027 1.00 0.00 C ATOM 1079 CE1 TYR A 70 0.441 1.329 -10.086 1.00 0.00 C ATOM 1080 CE2 TYR A 70 1.340 3.056 -11.537 1.00 0.00 C ATOM 1081 CZ TYR A 70 1.366 1.729 -11.056 1.00 0.00 C ATOM 1082 OH TYR A 70 2.233 0.808 -11.531 1.00 0.00 O ATOM 0 H TYR A 70 -2.733 3.414 -7.272 1.00 0.00 H new ATOM 0 HA TYR A 70 -0.334 5.088 -7.859 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -2.551 4.129 -9.673 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -1.484 5.465 -10.060 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -1.253 1.879 -8.887 1.00 0.00 H new ATOM 0 HD2 TYR A 70 0.358 4.959 -11.405 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.468 0.317 -9.709 1.00 0.00 H new ATOM 0 HE2 TYR A 70 2.044 3.378 -12.290 1.00 0.00 H new ATOM 0 HH TYR A 70 2.457 0.172 -10.820 1.00 0.00 H new ATOM 1092 N TRP A 71 -1.571 6.988 -6.931 1.00 0.00 N ATOM 1093 CA TRP A 71 -2.229 8.239 -6.560 1.00 0.00 C ATOM 1094 C TRP A 71 -2.851 8.957 -7.762 1.00 0.00 C ATOM 1095 O TRP A 71 -2.603 8.616 -8.914 1.00 0.00 O ATOM 1096 CB TRP A 71 -1.188 9.147 -5.908 1.00 0.00 C ATOM 1097 CG TRP A 71 0.125 9.255 -6.603 1.00 0.00 C ATOM 1098 CD1 TRP A 71 0.478 10.131 -7.561 1.00 0.00 C ATOM 1099 CD2 TRP A 71 1.292 8.439 -6.366 1.00 0.00 C ATOM 1100 NE1 TRP A 71 1.793 9.921 -7.925 1.00 0.00 N ATOM 1101 CE2 TRP A 71 2.358 8.905 -7.183 1.00 0.00 C ATOM 1102 CE3 TRP A 71 1.548 7.369 -5.498 1.00 0.00 C ATOM 1103 CZ2 TRP A 71 3.610 8.275 -7.179 1.00 0.00 C ATOM 1104 CZ3 TRP A 71 2.829 6.810 -5.411 1.00 0.00 C ATOM 1105 CH2 TRP A 71 3.857 7.239 -6.272 1.00 0.00 C ATOM 0 H TRP A 71 -0.583 6.946 -6.680 1.00 0.00 H new ATOM 0 HA TRP A 71 -3.043 8.007 -5.874 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -1.613 10.147 -5.823 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -1.009 8.789 -4.894 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -0.170 10.885 -7.982 1.00 0.00 H new ATOM 0 HE1 TRP A 71 2.283 10.448 -8.648 1.00 0.00 H new ATOM 0 HE3 TRP A 71 0.749 6.971 -4.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 4.378 8.587 -7.871 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 3.030 6.043 -4.677 1.00 0.00 H new ATOM 0 HH2 TRP A 71 4.830 6.771 -6.233 1.00 0.00 H new ATOM 1116 N VAL A 72 -3.490 10.096 -7.489 1.00 0.00 N ATOM 1117 CA VAL A 72 -4.159 10.896 -8.529 1.00 0.00 C ATOM 1118 C VAL A 72 -3.172 11.437 -9.567 1.00 0.00 C ATOM 1119 O VAL A 72 -3.461 11.473 -10.751 1.00 0.00 O ATOM 1120 CB VAL A 72 -4.907 12.077 -7.897 1.00 0.00 C ATOM 1121 CG1 VAL A 72 -5.627 12.930 -8.955 1.00 0.00 C ATOM 1122 CG2 VAL A 72 -5.934 11.604 -6.857 1.00 0.00 C ATOM 0 H VAL A 72 -3.561 10.491 -6.551 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.860 10.231 -9.034 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.150 12.687 -7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -6.144 13.756 -8.466 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.897 13.326 -9.661 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.350 12.314 -9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.444 12.468 -6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.664 10.952 -7.337 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.424 11.056 -6.065 1.00 0.00 H new ATOM 1132 N GLY A 73 -2.014 11.926 -9.109 1.00 0.00 N ATOM 1133 CA GLY A 73 -0.967 12.463 -9.990 1.00 0.00 C ATOM 1134 C GLY A 73 -0.462 11.463 -11.036 1.00 0.00 C ATOM 1135 O GLY A 73 -0.144 11.861 -12.151 1.00 0.00 O ATOM 0 H GLY A 73 -1.775 11.961 -8.118 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.353 13.345 -10.501 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.126 12.791 -9.380 1.00 0.00 H new ATOM 1139 N LYS A 74 -0.313 10.185 -10.655 1.00 0.00 N ATOM 1140 CA LYS A 74 0.006 9.090 -11.574 1.00 0.00 C ATOM 1141 C LYS A 74 -1.131 8.864 -12.582 1.00 0.00 C ATOM 1142 O LYS A 74 -2.274 9.208 -12.340 1.00 0.00 O ATOM 1143 CB LYS A 74 0.261 7.811 -10.761 1.00 0.00 C ATOM 1144 CG LYS A 74 1.745 7.625 -10.423 1.00 0.00 C ATOM 1145 CD LYS A 74 1.929 6.505 -9.384 1.00 0.00 C ATOM 1146 CE LYS A 74 3.375 6.020 -9.338 1.00 0.00 C ATOM 1147 NZ LYS A 74 3.548 4.924 -10.308 1.00 0.00 N ATOM 0 H LYS A 74 -0.413 9.883 -9.686 1.00 0.00 H new ATOM 0 HA LYS A 74 0.901 9.352 -12.139 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.318 7.848 -9.838 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.092 6.948 -11.325 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.302 7.383 -11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.155 8.558 -10.036 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.634 6.868 -8.399 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.271 5.670 -9.626 1.00 0.00 H new ATOM 0 HE2 LYS A 74 4.054 6.840 -9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.624 5.676 -8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 4.115 4.166 -9.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.616 4.549 -10.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.035 5.283 -11.154 1.00 0.00 H new ATOM 1161 N ASN A 75 -0.793 8.213 -13.688 1.00 0.00 N ATOM 1162 CA ASN A 75 -1.683 7.900 -14.809 1.00 0.00 C ATOM 1163 C ASN A 75 -1.501 6.450 -15.282 1.00 0.00 C ATOM 1164 O ASN A 75 -1.650 6.144 -16.460 1.00 0.00 O ATOM 1165 CB ASN A 75 -1.452 8.930 -15.931 1.00 0.00 C ATOM 1166 CG ASN A 75 0.010 9.273 -16.169 1.00 0.00 C ATOM 1167 OD1 ASN A 75 0.930 8.487 -15.994 1.00 0.00 O ATOM 1168 ND2 ASN A 75 0.280 10.518 -16.467 1.00 0.00 N ATOM 0 H ASN A 75 0.156 7.870 -13.839 1.00 0.00 H new ATOM 0 HA ASN A 75 -2.722 7.973 -14.487 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -1.879 8.544 -16.857 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -1.993 9.844 -15.687 1.00 0.00 H new ATOM 0 HD21 ASN A 75 1.250 10.824 -16.551 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.479 11.183 -16.615 1.00 0.00 H new ATOM 1175 N ALA A 76 -1.138 5.554 -14.368 1.00 0.00 N ATOM 1176 CA ALA A 76 -0.975 4.141 -14.670 1.00 0.00 C ATOM 1177 C ALA A 76 -1.563 3.290 -13.551 1.00 0.00 C ATOM 1178 O ALA A 76 -2.009 3.824 -12.542 1.00 0.00 O ATOM 1179 CB ALA A 76 0.516 3.866 -14.942 1.00 0.00 C ATOM 0 H ALA A 76 -0.949 5.792 -13.394 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.527 3.865 -15.569 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.655 2.809 -15.170 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.848 4.467 -15.788 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.101 4.127 -14.060 1.00 0.00 H new ATOM 1185 N GLU A 77 -1.497 1.973 -13.715 1.00 0.00 N ATOM 1186 CA GLU A 77 -1.930 0.986 -12.731 1.00 0.00 C ATOM 1187 C GLU A 77 -0.988 -0.216 -12.703 1.00 0.00 C ATOM 1188 O GLU A 77 -0.219 -0.455 -13.635 1.00 0.00 O ATOM 1189 CB GLU A 77 -3.352 0.528 -13.064 1.00 0.00 C ATOM 1190 CG GLU A 77 -4.423 1.496 -12.540 1.00 0.00 C ATOM 1191 CD GLU A 77 -5.806 1.111 -13.093 1.00 0.00 C ATOM 1192 OE1 GLU A 77 -6.059 -0.114 -13.222 1.00 0.00 O ATOM 1193 OE2 GLU A 77 -6.593 2.028 -13.409 1.00 0.00 O ATOM 0 H GLU A 77 -1.128 1.548 -14.566 1.00 0.00 H new ATOM 0 HA GLU A 77 -1.912 1.449 -11.744 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.454 0.430 -14.145 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.521 -0.460 -12.637 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.441 1.475 -11.450 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.177 2.516 -12.835 1.00 0.00 H new ATOM 1200 N TRP A 78 -1.058 -0.979 -11.612 1.00 0.00 N ATOM 1201 CA TRP A 78 -0.260 -2.180 -11.453 1.00 0.00 C ATOM 1202 C TRP A 78 -0.924 -3.354 -12.177 1.00 0.00 C ATOM 1203 O TRP A 78 -2.088 -3.699 -11.952 1.00 0.00 O ATOM 1204 CB TRP A 78 -0.030 -2.489 -9.979 1.00 0.00 C ATOM 1205 CG TRP A 78 1.275 -3.172 -9.730 1.00 0.00 C ATOM 1206 CD1 TRP A 78 1.503 -4.503 -9.784 1.00 0.00 C ATOM 1207 CD2 TRP A 78 2.535 -2.559 -9.328 1.00 0.00 C ATOM 1208 NE1 TRP A 78 2.826 -4.757 -9.472 1.00 0.00 N ATOM 1209 CE2 TRP A 78 3.495 -3.593 -9.145 1.00 0.00 C ATOM 1210 CE3 TRP A 78 2.934 -1.247 -8.985 1.00 0.00 C ATOM 1211 CZ2 TRP A 78 4.778 -3.328 -8.658 1.00 0.00 C ATOM 1212 CZ3 TRP A 78 4.221 -0.969 -8.490 1.00 0.00 C ATOM 1213 CH2 TRP A 78 5.154 -2.007 -8.331 1.00 0.00 C ATOM 0 H TRP A 78 -1.669 -0.777 -10.820 1.00 0.00 H new ATOM 0 HA TRP A 78 0.718 -2.013 -11.905 1.00 0.00 H new ATOM 0 HB2 TRP A 78 -0.065 -1.561 -9.408 1.00 0.00 H new ATOM 0 HB3 TRP A 78 -0.841 -3.119 -9.613 1.00 0.00 H new ATOM 0 HD1 TRP A 78 0.766 -5.252 -10.032 1.00 0.00 H new ATOM 0 HE1 TRP A 78 3.253 -5.683 -9.482 1.00 0.00 H new ATOM 0 HE3 TRP A 78 2.231 -0.436 -9.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 5.484 -4.136 -8.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 4.492 0.044 -8.232 1.00 0.00 H new ATOM 0 HH2 TRP A 78 6.147 -1.797 -7.963 1.00 0.00 H new ATOM 1224 N ALA A 79 -0.178 -3.976 -13.079 1.00 0.00 N ATOM 1225 CA ALA A 79 -0.662 -5.169 -13.755 1.00 0.00 C ATOM 1226 C ALA A 79 -0.811 -6.382 -12.811 1.00 0.00 C ATOM 1227 O ALA A 79 -0.401 -6.382 -11.658 1.00 0.00 O ATOM 1228 CB ALA A 79 0.258 -5.466 -14.928 1.00 0.00 C ATOM 0 H ALA A 79 0.757 -3.677 -13.357 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.671 -4.977 -14.120 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.091 -6.359 -15.447 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.254 -4.621 -15.617 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.272 -5.631 -14.563 1.00 0.00 H new ATOM 1234 N LYS A 80 -1.397 -7.462 -13.332 1.00 0.00 N ATOM 1235 CA LYS A 80 -1.546 -8.726 -12.594 1.00 0.00 C ATOM 1236 C LYS A 80 -0.303 -9.601 -12.687 1.00 0.00 C ATOM 1237 O LYS A 80 0.262 -9.958 -11.667 1.00 0.00 O ATOM 1238 CB LYS A 80 -2.787 -9.485 -13.073 1.00 0.00 C ATOM 1239 CG LYS A 80 -4.053 -9.018 -12.344 1.00 0.00 C ATOM 1240 CD LYS A 80 -4.627 -7.749 -12.979 1.00 0.00 C ATOM 1241 CE LYS A 80 -5.933 -7.385 -12.291 1.00 0.00 C ATOM 1242 NZ LYS A 80 -6.802 -6.657 -13.239 1.00 0.00 N ATOM 0 H LYS A 80 -1.782 -7.489 -14.276 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.675 -8.472 -11.542 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.911 -9.340 -14.146 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.646 -10.553 -12.910 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.802 -9.810 -12.369 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.822 -8.830 -11.295 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.914 -6.929 -12.887 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.796 -7.907 -14.044 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.435 -8.286 -11.939 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.735 -6.768 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.970 -5.693 -12.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -6.338 -6.609 -14.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.710 -7.156 -13.331 1.00 0.00 H new ATOM 1256 N ASP A 81 0.119 -9.950 -13.899 1.00 0.00 N ATOM 1257 CA ASP A 81 1.309 -10.772 -14.177 1.00 0.00 C ATOM 1258 C ASP A 81 2.522 -9.852 -14.451 1.00 0.00 C ATOM 1259 O ASP A 81 3.258 -10.000 -15.415 1.00 0.00 O ATOM 1260 CB ASP A 81 1.019 -11.745 -15.331 1.00 0.00 C ATOM 1261 CG ASP A 81 1.970 -12.958 -15.384 1.00 0.00 C ATOM 1262 OD1 ASP A 81 3.157 -12.798 -15.731 1.00 0.00 O ATOM 1263 OD2 ASP A 81 1.454 -14.048 -15.054 1.00 0.00 O ATOM 0 H ASP A 81 -0.369 -9.663 -14.747 1.00 0.00 H new ATOM 0 HA ASP A 81 1.559 -11.382 -13.309 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.006 -12.104 -15.241 1.00 0.00 H new ATOM 0 HB3 ASP A 81 1.085 -11.203 -16.275 1.00 0.00 H new ATOM 1268 N VAL A 82 2.719 -8.807 -13.641 1.00 0.00 N ATOM 1269 CA VAL A 82 3.887 -7.929 -13.794 1.00 0.00 C ATOM 1270 C VAL A 82 4.563 -7.723 -12.451 1.00 0.00 C ATOM 1271 O VAL A 82 3.913 -7.411 -11.460 1.00 0.00 O ATOM 1272 CB VAL A 82 3.461 -6.610 -14.433 1.00 0.00 C ATOM 1273 CG1 VAL A 82 4.611 -5.619 -14.549 1.00 0.00 C ATOM 1274 CG2 VAL A 82 2.949 -6.829 -15.870 1.00 0.00 C ATOM 0 H VAL A 82 2.092 -8.549 -12.879 1.00 0.00 H new ATOM 0 HA VAL A 82 4.616 -8.396 -14.456 1.00 0.00 H new ATOM 0 HB VAL A 82 2.683 -6.216 -13.779 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.253 -4.698 -15.010 1.00 0.00 H new ATOM 0 HG12 VAL A 82 5.003 -5.399 -13.556 1.00 0.00 H new ATOM 0 HG13 VAL A 82 5.401 -6.049 -15.164 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.653 -5.872 -16.300 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.741 -7.269 -16.475 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.091 -7.500 -15.852 1.00 0.00 H new ATOM 1284 N LYS A 83 5.889 -7.867 -12.437 1.00 0.00 N ATOM 1285 CA LYS A 83 6.729 -7.596 -11.260 1.00 0.00 C ATOM 1286 C LYS A 83 7.066 -6.117 -11.137 1.00 0.00 C ATOM 1287 O LYS A 83 6.937 -5.372 -12.093 1.00 0.00 O ATOM 1288 CB LYS A 83 8.035 -8.382 -11.390 1.00 0.00 C ATOM 1289 CG LYS A 83 7.787 -9.867 -11.116 1.00 0.00 C ATOM 1290 CD LYS A 83 8.990 -10.700 -11.557 1.00 0.00 C ATOM 1291 CE LYS A 83 10.191 -10.463 -10.635 1.00 0.00 C ATOM 1292 NZ LYS A 83 11.362 -11.252 -11.081 1.00 0.00 N ATOM 0 H LYS A 83 6.420 -8.179 -13.250 1.00 0.00 H new ATOM 0 HA LYS A 83 6.173 -7.898 -10.373 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.447 -8.253 -12.391 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.773 -7.994 -10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.601 -10.021 -10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.894 -10.197 -11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.726 -11.758 -11.551 1.00 0.00 H new ATOM 0 HD3 LYS A 83 9.258 -10.444 -12.582 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.444 -9.403 -10.625 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.930 -10.738 -9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.163 -11.076 -10.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.124 -12.264 -11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.622 -10.971 -12.048 1.00 0.00 H new ATOM 1306 N THR A 84 7.655 -5.724 -10.011 1.00 0.00 N ATOM 1307 CA THR A 84 8.095 -4.338 -9.724 1.00 0.00 C ATOM 1308 C THR A 84 9.000 -3.720 -10.786 1.00 0.00 C ATOM 1309 O THR A 84 8.613 -2.741 -11.396 1.00 0.00 O ATOM 1310 CB THR A 84 8.813 -4.233 -8.378 1.00 0.00 C ATOM 1311 OG1 THR A 84 9.912 -5.124 -8.359 1.00 0.00 O ATOM 1312 CG2 THR A 84 7.916 -4.608 -7.208 1.00 0.00 C ATOM 0 H THR A 84 7.850 -6.368 -9.245 1.00 0.00 H new ATOM 0 HA THR A 84 7.161 -3.775 -9.713 1.00 0.00 H new ATOM 0 HB THR A 84 9.124 -3.194 -8.271 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.374 -5.056 -7.497 1.00 0.00 H new ATOM 0 HG21 THR A 84 8.475 -4.516 -6.277 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.055 -3.941 -7.181 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.575 -5.636 -7.326 1.00 0.00 H new ATOM 1320 N SER A 85 10.194 -4.269 -11.013 1.00 0.00 N ATOM 1321 CA SER A 85 11.155 -3.789 -12.017 1.00 0.00 C ATOM 1322 C SER A 85 10.524 -3.606 -13.394 1.00 0.00 C ATOM 1323 O SER A 85 10.643 -2.556 -14.015 1.00 0.00 O ATOM 1324 CB SER A 85 12.296 -4.795 -12.152 1.00 0.00 C ATOM 1325 OG SER A 85 13.241 -4.588 -11.127 1.00 0.00 O ATOM 0 H SER A 85 10.531 -5.079 -10.493 1.00 0.00 H new ATOM 0 HA SER A 85 11.514 -2.819 -11.672 1.00 0.00 H new ATOM 0 HB2 SER A 85 11.905 -5.811 -12.098 1.00 0.00 H new ATOM 0 HB3 SER A 85 12.774 -4.688 -13.126 1.00 0.00 H new ATOM 0 HG SER A 85 13.970 -5.237 -11.218 1.00 0.00 H new ATOM 1331 N GLN A 86 9.856 -4.659 -13.882 1.00 0.00 N ATOM 1332 CA GLN A 86 9.112 -4.605 -15.134 1.00 0.00 C ATOM 1333 C GLN A 86 8.040 -3.513 -15.121 1.00 0.00 C ATOM 1334 O GLN A 86 7.904 -2.854 -16.148 1.00 0.00 O ATOM 1335 CB GLN A 86 8.474 -5.972 -15.424 1.00 0.00 C ATOM 1336 CG GLN A 86 7.708 -6.003 -16.766 1.00 0.00 C ATOM 1337 CD GLN A 86 8.644 -6.164 -17.959 1.00 0.00 C ATOM 1338 OE1 GLN A 86 9.435 -7.081 -18.053 1.00 0.00 O ATOM 1339 NE2 GLN A 86 8.604 -5.274 -18.923 1.00 0.00 N ATOM 0 H GLN A 86 9.820 -5.566 -13.417 1.00 0.00 H new ATOM 0 HA GLN A 86 9.818 -4.356 -15.926 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.252 -6.735 -15.437 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.790 -6.228 -14.615 1.00 0.00 H new ATOM 0 HG2 GLN A 86 6.992 -6.824 -16.755 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.135 -5.082 -16.877 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.949 -4.494 -18.870 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.228 -5.363 -19.725 1.00 0.00 H new ATOM 1348 N GLN A 87 7.286 -3.367 -14.020 1.00 0.00 N ATOM 1349 CA GLN A 87 6.194 -2.420 -13.808 1.00 0.00 C ATOM 1350 C GLN A 87 6.488 -1.076 -14.445 1.00 0.00 C ATOM 1351 O GLN A 87 7.345 -0.316 -13.997 1.00 0.00 O ATOM 1352 CB GLN A 87 5.879 -2.212 -12.309 1.00 0.00 C ATOM 1353 CG GLN A 87 4.471 -1.688 -12.073 1.00 0.00 C ATOM 1354 CD GLN A 87 3.433 -2.593 -12.721 1.00 0.00 C ATOM 1355 OE1 GLN A 87 2.852 -2.273 -13.741 1.00 0.00 O ATOM 1356 NE2 GLN A 87 3.249 -3.793 -12.230 1.00 0.00 N ATOM 0 H GLN A 87 7.439 -3.953 -13.199 1.00 0.00 H new ATOM 0 HA GLN A 87 5.320 -2.862 -14.287 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.004 -3.157 -11.781 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.599 -1.512 -11.884 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.280 -1.619 -11.002 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.382 -0.680 -12.478 1.00 0.00 H new ATOM 0 HE21 GLN A 87 3.730 -4.074 -11.376 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.625 -4.447 -12.702 1.00 0.00 H new ATOM 1365 N LYS A 88 5.726 -0.748 -15.482 1.00 0.00 N ATOM 1366 CA LYS A 88 5.932 0.483 -16.255 1.00 0.00 C ATOM 1367 C LYS A 88 5.115 1.637 -15.696 1.00 0.00 C ATOM 1368 O LYS A 88 4.769 2.564 -16.414 1.00 0.00 O ATOM 1369 CB LYS A 88 5.624 0.240 -17.736 1.00 0.00 C ATOM 1370 CG LYS A 88 6.492 -0.848 -18.383 1.00 0.00 C ATOM 1371 CD LYS A 88 7.876 -0.309 -18.773 1.00 0.00 C ATOM 1372 CE LYS A 88 8.725 -1.431 -19.376 1.00 0.00 C ATOM 1373 NZ LYS A 88 10.091 -0.951 -19.705 1.00 0.00 N ATOM 0 H LYS A 88 4.950 -1.321 -15.814 1.00 0.00 H new ATOM 0 HA LYS A 88 6.981 0.767 -16.169 1.00 0.00 H new ATOM 0 HB2 LYS A 88 4.575 -0.038 -17.838 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.761 1.173 -18.283 1.00 0.00 H new ATOM 0 HG2 LYS A 88 6.607 -1.682 -17.691 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.989 -1.237 -19.269 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.769 0.504 -19.492 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.375 0.104 -17.896 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.788 -2.262 -18.673 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.243 -1.812 -20.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.645 -1.732 -20.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.029 -0.174 -20.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.557 -0.610 -18.840 1.00 0.00 H new ATOM 1387 N GLY A 89 4.800 1.588 -14.410 1.00 0.00 N ATOM 1388 CA GLY A 89 3.964 2.591 -13.782 1.00 0.00 C ATOM 1389 C GLY A 89 4.735 3.434 -12.784 1.00 0.00 C ATOM 1390 O GLY A 89 4.601 4.655 -12.751 1.00 0.00 O ATOM 0 H GLY A 89 5.117 0.853 -13.778 1.00 0.00 H new ATOM 0 HA2 GLY A 89 3.537 3.238 -14.548 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.131 2.103 -13.276 1.00 0.00 H new ATOM 1394 N GLY A 90 5.509 2.805 -11.905 1.00 0.00 N ATOM 1395 CA GLY A 90 6.416 3.481 -10.981 1.00 0.00 C ATOM 1396 C GLY A 90 6.555 2.702 -9.680 1.00 0.00 C ATOM 1397 O GLY A 90 5.573 2.068 -9.294 1.00 0.00 O ATOM 0 H GLY A 90 5.524 1.789 -11.813 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.395 3.595 -11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.044 4.484 -10.770 1.00 0.00 H new ATOM 1401 N PRO A 91 7.657 2.899 -8.935 1.00 0.00 N ATOM 1402 CA PRO A 91 7.963 2.285 -7.636 1.00 0.00 C ATOM 1403 C PRO A 91 7.111 2.819 -6.480 1.00 0.00 C ATOM 1404 O PRO A 91 7.568 2.793 -5.342 1.00 0.00 O ATOM 1405 CB PRO A 91 9.456 2.574 -7.395 1.00 0.00 C ATOM 1406 CG PRO A 91 9.673 3.893 -8.124 1.00 0.00 C ATOM 1407 CD PRO A 91 8.739 3.791 -9.321 1.00 0.00 C ATOM 0 HA PRO A 91 7.734 1.220 -7.666 1.00 0.00 H new ATOM 0 HB2 PRO A 91 9.684 2.658 -6.332 1.00 0.00 H new ATOM 0 HB3 PRO A 91 10.090 1.783 -7.795 1.00 0.00 H new ATOM 0 HG2 PRO A 91 9.426 4.747 -7.493 1.00 0.00 H new ATOM 0 HG3 PRO A 91 10.711 4.015 -8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 91 8.352 4.773 -9.594 1.00 0.00 H new ATOM 0 HD3 PRO A 91 9.268 3.403 -10.192 1.00 0.00 H new ATOM 1415 N THR A 92 5.902 3.328 -6.772 1.00 0.00 N ATOM 1416 CA THR A 92 4.893 3.779 -5.806 1.00 0.00 C ATOM 1417 C THR A 92 5.113 3.216 -4.392 1.00 0.00 C ATOM 1418 O THR A 92 4.937 2.020 -4.138 1.00 0.00 O ATOM 1419 CB THR A 92 3.439 3.569 -6.237 1.00 0.00 C ATOM 1420 OG1 THR A 92 2.647 3.765 -5.090 1.00 0.00 O ATOM 1421 CG2 THR A 92 3.235 2.229 -6.937 1.00 0.00 C ATOM 0 H THR A 92 5.589 3.440 -7.736 1.00 0.00 H new ATOM 0 HA THR A 92 5.052 4.857 -5.779 1.00 0.00 H new ATOM 0 HB THR A 92 3.136 4.288 -6.998 1.00 0.00 H new ATOM 0 HG1 THR A 92 1.701 3.659 -5.324 1.00 0.00 H new ATOM 0 HG21 THR A 92 2.189 2.124 -7.224 1.00 0.00 H new ATOM 0 HG22 THR A 92 3.862 2.184 -7.827 1.00 0.00 H new ATOM 0 HG23 THR A 92 3.508 1.420 -6.260 1.00 0.00 H new ATOM 1429 N PRO A 93 5.527 4.094 -3.469 1.00 0.00 N ATOM 1430 CA PRO A 93 5.857 3.668 -2.130 1.00 0.00 C ATOM 1431 C PRO A 93 4.616 3.241 -1.362 1.00 0.00 C ATOM 1432 O PRO A 93 4.700 2.433 -0.440 1.00 0.00 O ATOM 1433 CB PRO A 93 6.478 4.903 -1.481 1.00 0.00 C ATOM 1434 CG PRO A 93 5.943 6.081 -2.255 1.00 0.00 C ATOM 1435 CD PRO A 93 5.769 5.514 -3.646 1.00 0.00 C ATOM 0 HA PRO A 93 6.525 2.807 -2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 93 6.207 4.970 -0.428 1.00 0.00 H new ATOM 0 HB3 PRO A 93 7.566 4.865 -1.528 1.00 0.00 H new ATOM 0 HG2 PRO A 93 5.000 6.441 -1.844 1.00 0.00 H new ATOM 0 HG3 PRO A 93 6.637 6.921 -2.244 1.00 0.00 H new ATOM 0 HD2 PRO A 93 4.935 5.991 -4.161 1.00 0.00 H new ATOM 0 HD3 PRO A 93 6.658 5.686 -4.252 1.00 0.00 H new ATOM 1443 N ILE A 94 3.484 3.855 -1.711 1.00 0.00 N ATOM 1444 CA ILE A 94 2.178 3.598 -1.136 1.00 0.00 C ATOM 1445 C ILE A 94 1.691 2.197 -1.522 1.00 0.00 C ATOM 1446 O ILE A 94 1.638 1.848 -2.704 1.00 0.00 O ATOM 1447 CB ILE A 94 1.159 4.674 -1.552 1.00 0.00 C ATOM 1448 CG1 ILE A 94 1.619 6.084 -1.158 1.00 0.00 C ATOM 1449 CG2 ILE A 94 -0.188 4.428 -0.849 1.00 0.00 C ATOM 1450 CD1 ILE A 94 0.907 7.192 -1.892 1.00 0.00 C ATOM 0 H ILE A 94 3.460 4.574 -2.434 1.00 0.00 H new ATOM 0 HA ILE A 94 2.271 3.643 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 94 1.064 4.608 -2.636 1.00 0.00 H new ATOM 0 HG12 ILE A 94 1.469 6.217 -0.087 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.690 6.170 -1.343 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.901 5.195 -1.151 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -0.571 3.447 -1.129 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -0.047 4.468 0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.290 8.156 -1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.078 7.087 -2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.162 7.135 -1.688 1.00 0.00 H new ATOM 1462 N ARG A 95 1.301 1.402 -0.525 1.00 0.00 N ATOM 1463 CA ARG A 95 0.785 0.043 -0.722 1.00 0.00 C ATOM 1464 C ARG A 95 -0.444 -0.207 0.142 1.00 0.00 C ATOM 1465 O ARG A 95 -0.391 -0.006 1.354 1.00 0.00 O ATOM 1466 CB ARG A 95 1.884 -0.973 -0.394 1.00 0.00 C ATOM 1467 CG ARG A 95 3.132 -0.824 -1.286 1.00 0.00 C ATOM 1468 CD ARG A 95 3.064 -1.778 -2.475 1.00 0.00 C ATOM 1469 NE ARG A 95 3.746 -3.053 -2.231 1.00 0.00 N ATOM 1470 CZ ARG A 95 5.044 -3.213 -2.086 1.00 0.00 C ATOM 1471 NH1 ARG A 95 5.846 -2.192 -2.162 1.00 0.00 N ATOM 1472 NH2 ARG A 95 5.553 -4.386 -1.889 1.00 0.00 N ATOM 0 H ARG A 95 1.334 1.685 0.454 1.00 0.00 H new ATOM 0 HA ARG A 95 0.487 -0.070 -1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.176 -0.859 0.650 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.484 -1.981 -0.505 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.210 0.203 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 95 4.029 -1.028 -0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 95 2.019 -1.973 -2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 95 3.509 -1.296 -3.346 1.00 0.00 H new ATOM 0 HE ARG A 95 3.164 -3.888 -2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.470 -1.260 -2.335 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.851 -2.323 -2.049 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.946 -5.204 -1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.561 -4.492 -1.779 1.00 0.00 H new ATOM 1486 N VAL A 96 -1.557 -0.612 -0.467 1.00 0.00 N ATOM 1487 CA VAL A 96 -2.782 -0.987 0.256 1.00 0.00 C ATOM 1488 C VAL A 96 -2.542 -2.245 1.081 1.00 0.00 C ATOM 1489 O VAL A 96 -1.833 -3.134 0.615 1.00 0.00 O ATOM 1490 CB VAL A 96 -3.980 -1.146 -0.704 1.00 0.00 C ATOM 1491 CG1 VAL A 96 -3.839 -2.325 -1.666 1.00 0.00 C ATOM 1492 CG2 VAL A 96 -5.323 -1.199 0.048 1.00 0.00 C ATOM 0 H VAL A 96 -1.640 -0.691 -1.481 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.039 -0.179 0.942 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.975 -0.246 -1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.717 -2.376 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -2.947 -2.191 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.753 -3.251 -1.097 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.137 -1.311 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.323 -2.047 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -5.461 -0.276 0.612 1.00 0.00 H new ATOM 1502 N VAL A 97 -3.138 -2.325 2.271 1.00 0.00 N ATOM 1503 CA VAL A 97 -3.076 -3.474 3.174 1.00 0.00 C ATOM 1504 C VAL A 97 -4.470 -3.946 3.545 1.00 0.00 C ATOM 1505 O VAL A 97 -5.414 -3.164 3.694 1.00 0.00 O ATOM 1506 CB VAL A 97 -2.243 -3.201 4.438 1.00 0.00 C ATOM 1507 CG1 VAL A 97 -2.037 -4.479 5.269 1.00 0.00 C ATOM 1508 CG2 VAL A 97 -0.913 -2.513 4.070 1.00 0.00 C ATOM 0 H VAL A 97 -3.699 -1.561 2.647 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.566 -4.267 2.628 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.800 -2.513 5.075 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.444 -4.246 6.154 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.006 -4.874 5.575 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.515 -5.224 4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.336 -2.327 4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.342 -3.158 3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.119 -1.566 3.571 1.00 0.00 H new ATOM 1518 N TYR A 98 -4.620 -5.259 3.655 1.00 0.00 N ATOM 1519 CA TYR A 98 -5.892 -5.918 3.872 1.00 0.00 C ATOM 1520 C TYR A 98 -5.713 -7.281 4.518 1.00 0.00 C ATOM 1521 O TYR A 98 -4.733 -7.976 4.279 1.00 0.00 O ATOM 1522 CB TYR A 98 -6.622 -6.080 2.542 1.00 0.00 C ATOM 1523 CG TYR A 98 -5.813 -6.510 1.328 1.00 0.00 C ATOM 1524 CD1 TYR A 98 -4.877 -5.643 0.732 1.00 0.00 C ATOM 1525 CD2 TYR A 98 -6.078 -7.749 0.725 1.00 0.00 C ATOM 1526 CE1 TYR A 98 -4.103 -6.070 -0.356 1.00 0.00 C ATOM 1527 CE2 TYR A 98 -5.384 -8.143 -0.431 1.00 0.00 C ATOM 1528 CZ TYR A 98 -4.377 -7.311 -0.955 1.00 0.00 C ATOM 1529 OH TYR A 98 -3.677 -7.711 -2.036 1.00 0.00 O ATOM 0 H TYR A 98 -3.836 -5.909 3.593 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.479 -5.296 4.548 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.420 -6.809 2.686 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -7.098 -5.129 2.305 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.754 -4.641 1.116 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -6.822 -8.405 1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.302 -5.450 -0.731 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -5.622 -9.079 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.122 -8.482 -2.447 1.00 0.00 H new ATOM 1539 N ALA A 99 -6.679 -7.664 5.349 1.00 0.00 N ATOM 1540 CA ALA A 99 -6.656 -8.962 6.013 1.00 0.00 C ATOM 1541 C ALA A 99 -7.082 -10.079 5.054 1.00 0.00 C ATOM 1542 O ALA A 99 -7.626 -9.822 3.985 1.00 0.00 O ATOM 1543 CB ALA A 99 -7.546 -8.893 7.260 1.00 0.00 C ATOM 0 H ALA A 99 -7.490 -7.090 5.579 1.00 0.00 H new ATOM 0 HA ALA A 99 -5.639 -9.202 6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.538 -9.858 7.767 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.167 -8.126 7.935 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.566 -8.646 6.966 1.00 0.00 H new ATOM 1549 N ASN A 100 -6.865 -11.323 5.472 1.00 0.00 N ATOM 1550 CA ASN A 100 -7.265 -12.544 4.780 1.00 0.00 C ATOM 1551 C ASN A 100 -8.326 -13.297 5.585 1.00 0.00 C ATOM 1552 O ASN A 100 -8.357 -14.515 5.514 1.00 0.00 O ATOM 1553 CB ASN A 100 -6.003 -13.397 4.516 1.00 0.00 C ATOM 1554 CG ASN A 100 -6.236 -14.704 3.772 1.00 0.00 C ATOM 1555 OD1 ASN A 100 -6.112 -15.796 4.297 1.00 0.00 O ATOM 1556 ND2 ASN A 100 -6.560 -14.635 2.507 1.00 0.00 N ATOM 0 H ASN A 100 -6.380 -11.516 6.348 1.00 0.00 H new ATOM 0 HA ASN A 100 -7.724 -12.304 3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -5.294 -12.797 3.946 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -5.533 -13.623 5.473 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -6.706 -15.490 1.971 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -6.667 -13.726 2.057 1.00 0.00 H new ATOM 1563 N SER A 101 -9.173 -12.624 6.371 1.00 0.00 N ATOM 1564 CA SER A 101 -10.267 -13.259 7.129 1.00 0.00 C ATOM 1565 C SER A 101 -11.047 -14.296 6.296 1.00 0.00 C ATOM 1566 O SER A 101 -11.999 -13.976 5.600 1.00 0.00 O ATOM 1567 CB SER A 101 -11.200 -12.189 7.711 1.00 0.00 C ATOM 1568 OG SER A 101 -11.600 -11.317 6.681 1.00 0.00 O ATOM 0 H SER A 101 -9.122 -11.614 6.503 1.00 0.00 H new ATOM 0 HA SER A 101 -9.814 -13.814 7.951 1.00 0.00 H new ATOM 0 HB2 SER A 101 -12.072 -12.658 8.166 1.00 0.00 H new ATOM 0 HB3 SER A 101 -10.690 -11.633 8.498 1.00 0.00 H new ATOM 0 HG SER A 101 -12.198 -10.632 7.046 1.00 0.00 H new ATOM 1574 N ARG A 102 -10.617 -15.568 6.329 1.00 0.00 N ATOM 1575 CA ARG A 102 -11.164 -16.656 5.495 1.00 0.00 C ATOM 1576 C ARG A 102 -11.211 -16.328 3.998 1.00 0.00 C ATOM 1577 O ARG A 102 -12.120 -16.755 3.300 1.00 0.00 O ATOM 1578 CB ARG A 102 -12.559 -16.994 6.040 1.00 0.00 C ATOM 1579 CG ARG A 102 -12.587 -17.268 7.556 1.00 0.00 C ATOM 1580 CD ARG A 102 -12.454 -18.757 7.829 1.00 0.00 C ATOM 1581 NE ARG A 102 -11.069 -19.250 7.658 1.00 0.00 N ATOM 1582 CZ ARG A 102 -10.570 -20.337 8.213 1.00 0.00 C ATOM 1583 NH1 ARG A 102 -11.305 -21.086 8.984 1.00 0.00 N ATOM 1584 NH2 ARG A 102 -9.332 -20.679 8.012 1.00 0.00 N ATOM 0 H ARG A 102 -9.866 -15.877 6.946 1.00 0.00 H new ATOM 0 HA ARG A 102 -10.496 -17.515 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -13.235 -16.169 5.817 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -12.941 -17.870 5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.775 -16.729 8.044 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.519 -16.896 7.982 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.786 -18.966 8.846 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -13.115 -19.305 7.158 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.449 -18.703 7.061 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -12.277 -20.834 9.164 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -10.909 -21.925 9.408 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -8.734 -20.104 7.419 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -8.959 -21.522 8.448 1.00 0.00 H new ATOM 1598 N GLY A 103 -10.207 -15.605 3.502 1.00 0.00 N ATOM 1599 CA GLY A 103 -10.218 -15.148 2.119 1.00 0.00 C ATOM 1600 C GLY A 103 -11.212 -13.996 1.874 1.00 0.00 C ATOM 1601 O GLY A 103 -11.964 -14.038 0.907 1.00 0.00 O ATOM 0 H GLY A 103 -9.383 -15.327 4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -9.216 -14.821 1.842 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -10.472 -15.984 1.468 1.00 0.00 H new ATOM 1605 N ALA A 104 -11.162 -12.938 2.695 1.00 0.00 N ATOM 1606 CA ALA A 104 -11.956 -11.723 2.523 1.00 0.00 C ATOM 1607 C ALA A 104 -11.135 -10.459 2.833 1.00 0.00 C ATOM 1608 O ALA A 104 -10.735 -10.201 3.966 1.00 0.00 O ATOM 1609 CB ALA A 104 -13.204 -11.840 3.393 1.00 0.00 C ATOM 0 H ALA A 104 -10.554 -12.907 3.513 1.00 0.00 H new ATOM 0 HA ALA A 104 -12.259 -11.622 1.481 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -13.812 -10.942 3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -13.782 -12.711 3.085 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -12.911 -11.950 4.437 1.00 0.00 H new ATOM 1615 N VAL A 105 -10.846 -9.676 1.790 1.00 0.00 N ATOM 1616 CA VAL A 105 -10.221 -8.353 1.905 1.00 0.00 C ATOM 1617 C VAL A 105 -11.149 -7.382 2.623 1.00 0.00 C ATOM 1618 O VAL A 105 -12.252 -7.103 2.169 1.00 0.00 O ATOM 1619 CB VAL A 105 -9.820 -7.784 0.528 1.00 0.00 C ATOM 1620 CG1 VAL A 105 -10.958 -7.728 -0.506 1.00 0.00 C ATOM 1621 CG2 VAL A 105 -9.174 -6.387 0.639 1.00 0.00 C ATOM 0 H VAL A 105 -11.042 -9.947 0.826 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.311 -8.476 2.491 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.089 -8.505 0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.580 -7.314 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.339 -8.734 -0.682 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.762 -7.096 -0.128 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.909 -6.029 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.880 -5.695 1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.276 -6.449 1.253 1.00 0.00 H new ATOM 1631 N GLN A 106 -10.658 -6.799 3.714 1.00 0.00 N ATOM 1632 CA GLN A 106 -11.390 -5.780 4.478 1.00 0.00 C ATOM 1633 C GLN A 106 -10.807 -4.373 4.355 1.00 0.00 C ATOM 1634 O GLN A 106 -11.085 -3.552 5.218 1.00 0.00 O ATOM 1635 CB GLN A 106 -11.542 -6.248 5.933 1.00 0.00 C ATOM 1636 CG GLN A 106 -10.236 -6.180 6.745 1.00 0.00 C ATOM 1637 CD GLN A 106 -10.350 -6.801 8.135 1.00 0.00 C ATOM 1638 OE1 GLN A 106 -10.844 -7.896 8.358 1.00 0.00 O ATOM 1639 NE2 GLN A 106 -9.830 -6.142 9.141 1.00 0.00 N ATOM 0 H GLN A 106 -9.739 -7.018 4.098 1.00 0.00 H new ATOM 0 HA GLN A 106 -12.382 -5.681 4.038 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -12.298 -5.636 6.425 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.910 -7.274 5.939 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.447 -6.689 6.192 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.934 -5.138 6.845 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -9.410 -5.225 8.988 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -9.845 -6.546 10.078 1.00 0.00 H new ATOM 1648 N TYR A 107 -9.974 -4.110 3.335 1.00 0.00 N ATOM 1649 CA TYR A 107 -9.223 -2.854 3.177 1.00 0.00 C ATOM 1650 C TYR A 107 -8.744 -2.330 4.536 1.00 0.00 C ATOM 1651 O TYR A 107 -9.135 -1.267 5.004 1.00 0.00 O ATOM 1652 CB TYR A 107 -10.107 -1.858 2.433 1.00 0.00 C ATOM 1653 CG TYR A 107 -9.658 -0.405 2.450 1.00 0.00 C ATOM 1654 CD1 TYR A 107 -8.330 -0.104 2.112 1.00 0.00 C ATOM 1655 CD2 TYR A 107 -10.509 0.617 2.944 1.00 0.00 C ATOM 1656 CE1 TYR A 107 -7.866 1.205 2.276 1.00 0.00 C ATOM 1657 CE2 TYR A 107 -10.034 1.941 3.087 1.00 0.00 C ATOM 1658 CZ TYR A 107 -8.696 2.231 2.746 1.00 0.00 C ATOM 1659 OH TYR A 107 -8.161 3.470 2.893 1.00 0.00 O ATOM 0 H TYR A 107 -9.800 -4.777 2.583 1.00 0.00 H new ATOM 0 HA TYR A 107 -8.320 -3.018 2.589 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -10.183 -2.179 1.394 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -11.110 -1.910 2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.675 -0.873 1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -11.528 0.382 3.213 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.838 1.431 2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.687 2.720 3.452 1.00 0.00 H new ATOM 0 HH TYR A 107 -8.847 4.085 3.225 1.00 0.00 H new ATOM 1669 N CYS A 108 -7.943 -3.140 5.226 1.00 0.00 N ATOM 1670 CA CYS A 108 -7.445 -2.772 6.552 1.00 0.00 C ATOM 1671 C CYS A 108 -6.886 -1.335 6.600 1.00 0.00 C ATOM 1672 O CYS A 108 -7.110 -0.597 7.559 1.00 0.00 O ATOM 1673 CB CYS A 108 -6.369 -3.770 6.971 1.00 0.00 C ATOM 1674 SG CYS A 108 -5.687 -3.414 8.606 1.00 0.00 S ATOM 0 H CYS A 108 -7.626 -4.050 4.892 1.00 0.00 H new ATOM 0 HA CYS A 108 -8.285 -2.802 7.246 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -6.791 -4.775 6.969 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -5.564 -3.760 6.236 1.00 0.00 H new ATOM 1679 N GLY A 109 -6.180 -0.943 5.543 1.00 0.00 N ATOM 1680 CA GLY A 109 -5.737 0.421 5.327 1.00 0.00 C ATOM 1681 C GLY A 109 -4.540 0.460 4.405 1.00 0.00 C ATOM 1682 O GLY A 109 -3.867 -0.538 4.199 1.00 0.00 O ATOM 0 H GLY A 109 -5.897 -1.582 4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.550 1.008 4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.481 0.880 6.282 1.00 0.00 H new ATOM 1686 N VAL A 110 -4.228 1.617 3.845 1.00 0.00 N ATOM 1687 CA VAL A 110 -3.044 1.761 2.984 1.00 0.00 C ATOM 1688 C VAL A 110 -1.945 2.446 3.766 1.00 0.00 C ATOM 1689 O VAL A 110 -2.218 3.264 4.641 1.00 0.00 O ATOM 1690 CB VAL A 110 -3.404 2.529 1.712 1.00 0.00 C ATOM 1691 CG1 VAL A 110 -2.316 2.571 0.647 1.00 0.00 C ATOM 1692 CG2 VAL A 110 -4.637 1.932 1.062 1.00 0.00 C ATOM 0 H VAL A 110 -4.770 2.473 3.965 1.00 0.00 H new ATOM 0 HA VAL A 110 -2.685 0.780 2.675 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.565 3.549 2.060 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -2.671 3.139 -0.213 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.426 3.049 1.055 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.072 1.555 0.336 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.879 2.491 0.158 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -4.444 0.891 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.476 1.984 1.756 1.00 0.00 H new ATOM 1702 N MET A 111 -0.701 2.093 3.461 1.00 0.00 N ATOM 1703 CA MET A 111 0.498 2.715 4.015 1.00 0.00 C ATOM 1704 C MET A 111 1.361 3.333 2.930 1.00 0.00 C ATOM 1705 O MET A 111 1.056 3.218 1.748 1.00 0.00 O ATOM 1706 CB MET A 111 1.289 1.681 4.824 1.00 0.00 C ATOM 1707 CG MET A 111 1.842 0.561 3.928 1.00 0.00 C ATOM 1708 SD MET A 111 2.314 -0.901 4.861 1.00 0.00 S ATOM 1709 CE MET A 111 2.910 -1.982 3.536 1.00 0.00 C ATOM 0 H MET A 111 -0.492 1.343 2.802 1.00 0.00 H new ATOM 0 HA MET A 111 0.190 3.525 4.677 1.00 0.00 H new ATOM 0 HB2 MET A 111 2.113 2.175 5.340 1.00 0.00 H new ATOM 0 HB3 MET A 111 0.646 1.249 5.591 1.00 0.00 H new ATOM 0 HG2 MET A 111 1.090 0.288 3.188 1.00 0.00 H new ATOM 0 HG3 MET A 111 2.708 0.933 3.380 1.00 0.00 H new ATOM 0 HE1 MET A 111 3.756 -2.568 3.897 1.00 0.00 H new ATOM 0 HE2 MET A 111 2.109 -2.654 3.226 1.00 0.00 H new ATOM 0 HE3 MET A 111 3.225 -1.376 2.686 1.00 0.00 H new ATOM 1719 N THR A 112 2.457 3.970 3.320 1.00 0.00 N ATOM 1720 CA THR A 112 3.435 4.585 2.450 1.00 0.00 C ATOM 1721 C THR A 112 4.814 4.634 3.079 1.00 0.00 C ATOM 1722 O THR A 112 4.989 4.458 4.277 1.00 0.00 O ATOM 1723 CB THR A 112 2.982 5.995 2.085 1.00 0.00 C ATOM 1724 OG1 THR A 112 3.771 6.369 0.981 1.00 0.00 O ATOM 1725 CG2 THR A 112 3.132 7.074 3.149 1.00 0.00 C ATOM 0 H THR A 112 2.695 4.074 4.306 1.00 0.00 H new ATOM 0 HA THR A 112 3.509 3.971 1.552 1.00 0.00 H new ATOM 0 HB THR A 112 1.907 5.939 1.912 1.00 0.00 H new ATOM 0 HG1 THR A 112 3.525 7.273 0.695 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.772 8.025 2.756 1.00 0.00 H new ATOM 0 HG22 THR A 112 2.549 6.801 4.029 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.182 7.169 3.425 1.00 0.00 H new ATOM 1733 N HIS A 113 5.826 4.868 2.259 1.00 0.00 N ATOM 1734 CA HIS A 113 7.171 5.073 2.768 1.00 0.00 C ATOM 1735 C HIS A 113 7.386 6.507 3.248 1.00 0.00 C ATOM 1736 O HIS A 113 6.874 7.440 2.638 1.00 0.00 O ATOM 1737 CB HIS A 113 8.157 4.763 1.660 1.00 0.00 C ATOM 1738 CG HIS A 113 7.991 3.378 1.087 1.00 0.00 C ATOM 1739 ND1 HIS A 113 8.323 2.993 -0.192 1.00 0.00 N ATOM 1740 CD2 HIS A 113 7.550 2.267 1.741 1.00 0.00 C ATOM 1741 CE1 HIS A 113 8.102 1.685 -0.335 1.00 0.00 C ATOM 1742 NE2 HIS A 113 7.634 1.227 0.834 1.00 0.00 N ATOM 0 H HIS A 113 5.742 4.920 1.244 1.00 0.00 H new ATOM 0 HA HIS A 113 7.321 4.413 3.622 1.00 0.00 H new ATOM 0 HB2 HIS A 113 8.039 5.496 0.862 1.00 0.00 H new ATOM 0 HB3 HIS A 113 9.171 4.871 2.044 1.00 0.00 H new ATOM 0 HD2 HIS A 113 7.204 2.210 2.763 1.00 0.00 H new ATOM 0 HE1 HIS A 113 8.270 1.102 -1.229 1.00 0.00 H new ATOM 0 HE2 HIS A 113 7.379 0.258 1.026 1.00 0.00 H new ATOM 1751 N SER A 114 8.275 6.678 4.226 1.00 0.00 N ATOM 1752 CA SER A 114 8.643 8.011 4.720 1.00 0.00 C ATOM 1753 C SER A 114 9.455 8.769 3.711 1.00 0.00 C ATOM 1754 O SER A 114 9.098 9.883 3.402 1.00 0.00 O ATOM 1755 CB SER A 114 9.455 7.955 6.008 1.00 0.00 C ATOM 1756 OG SER A 114 8.496 7.713 6.959 1.00 0.00 O ATOM 0 H SER A 114 8.756 5.910 4.695 1.00 0.00 H new ATOM 0 HA SER A 114 7.696 8.516 4.908 1.00 0.00 H new ATOM 0 HB2 SER A 114 10.205 7.165 5.980 1.00 0.00 H new ATOM 0 HB3 SER A 114 9.983 8.890 6.195 1.00 0.00 H new ATOM 0 HG SER A 114 8.918 7.656 7.842 1.00 0.00 H new ATOM 1762 N LYS A 115 10.548 8.180 3.214 1.00 0.00 N ATOM 1763 CA LYS A 115 11.472 8.825 2.267 1.00 0.00 C ATOM 1764 C LYS A 115 10.869 8.883 0.872 1.00 0.00 C ATOM 1765 O LYS A 115 10.841 7.852 0.195 1.00 0.00 O ATOM 1766 CB LYS A 115 12.796 8.053 2.199 1.00 0.00 C ATOM 1767 CG LYS A 115 13.589 8.133 3.509 1.00 0.00 C ATOM 1768 CD LYS A 115 14.522 9.346 3.504 1.00 0.00 C ATOM 1769 CE LYS A 115 15.221 9.466 4.863 1.00 0.00 C ATOM 1770 NZ LYS A 115 16.084 10.673 4.909 1.00 0.00 N ATOM 0 H LYS A 115 10.822 7.229 3.460 1.00 0.00 H new ATOM 0 HA LYS A 115 11.653 9.839 2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 115 12.592 7.008 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 115 13.403 8.450 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.902 8.200 4.352 1.00 0.00 H new ATOM 0 HG3 LYS A 115 14.171 7.221 3.644 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.263 9.244 2.711 1.00 0.00 H new ATOM 0 HD3 LYS A 115 13.954 10.253 3.295 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.476 9.516 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 115 15.823 8.576 5.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.547 10.734 5.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.808 10.611 4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 15.503 11.522 4.756 1.00 0.00 H new ATOM 1784 N VAL A 116 10.429 10.053 0.432 1.00 0.00 N ATOM 1785 CA VAL A 116 9.812 10.249 -0.878 1.00 0.00 C ATOM 1786 C VAL A 116 10.161 11.619 -1.426 1.00 0.00 C ATOM 1787 O VAL A 116 9.664 12.592 -0.920 1.00 0.00 O ATOM 1788 CB VAL A 116 8.281 10.095 -0.787 1.00 0.00 C ATOM 1789 CG1 VAL A 116 7.906 8.611 -0.670 1.00 0.00 C ATOM 1790 CG2 VAL A 116 7.599 10.829 0.387 1.00 0.00 C ATOM 0 H VAL A 116 10.490 10.909 0.983 1.00 0.00 H new ATOM 0 HA VAL A 116 10.200 9.487 -1.554 1.00 0.00 H new ATOM 0 HB VAL A 116 7.918 10.557 -1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 116 6.822 8.514 -0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 116 8.268 8.074 -1.547 1.00 0.00 H new ATOM 0 HG13 VAL A 116 8.361 8.190 0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 116 6.524 10.651 0.352 1.00 0.00 H new ATOM 0 HG22 VAL A 116 7.998 10.456 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 116 7.792 11.899 0.309 1.00 0.00 H new ATOM 1800 N ASP A 117 10.999 11.713 -2.451 1.00 0.00 N ATOM 1801 CA ASP A 117 11.366 13.016 -3.032 1.00 0.00 C ATOM 1802 C ASP A 117 10.906 13.096 -4.483 1.00 0.00 C ATOM 1803 O ASP A 117 9.886 13.694 -4.823 1.00 0.00 O ATOM 1804 CB ASP A 117 12.875 13.249 -2.859 1.00 0.00 C ATOM 1805 CG ASP A 117 13.245 13.737 -1.460 1.00 0.00 C ATOM 1806 OD1 ASP A 117 13.369 12.856 -0.573 1.00 0.00 O ATOM 1807 OD2 ASP A 117 13.484 14.954 -1.347 1.00 0.00 O ATOM 0 H ASP A 117 11.440 10.911 -2.902 1.00 0.00 H new ATOM 0 HA ASP A 117 10.855 13.822 -2.505 1.00 0.00 H new ATOM 0 HB2 ASP A 117 13.407 12.321 -3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 117 13.211 13.980 -3.594 1.00 0.00 H new ATOM 1812 N LYS A 118 11.659 12.413 -5.343 1.00 0.00 N ATOM 1813 CA LYS A 118 11.405 12.313 -6.782 1.00 0.00 C ATOM 1814 C LYS A 118 11.130 10.886 -7.232 1.00 0.00 C ATOM 1815 O LYS A 118 10.299 10.658 -8.119 1.00 0.00 O ATOM 1816 CB LYS A 118 12.594 12.946 -7.525 1.00 0.00 C ATOM 1817 CG LYS A 118 12.563 12.684 -9.042 1.00 0.00 C ATOM 1818 CD LYS A 118 11.464 13.509 -9.733 1.00 0.00 C ATOM 1819 CE LYS A 118 10.995 12.836 -11.027 1.00 0.00 C ATOM 1820 NZ LYS A 118 9.988 11.778 -10.748 1.00 0.00 N ATOM 0 H LYS A 118 12.489 11.897 -5.050 1.00 0.00 H new ATOM 0 HA LYS A 118 10.493 12.859 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 118 12.596 14.021 -7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 118 13.524 12.554 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 118 13.532 12.932 -9.475 1.00 0.00 H new ATOM 0 HG3 LYS A 118 12.393 11.623 -9.226 1.00 0.00 H new ATOM 0 HD2 LYS A 118 10.618 13.631 -9.057 1.00 0.00 H new ATOM 0 HD3 LYS A 118 11.841 14.507 -9.955 1.00 0.00 H new ATOM 0 HE2 LYS A 118 10.566 13.584 -11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 118 11.850 12.401 -11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 10.090 11.010 -11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 10.137 11.401 -9.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 9.032 12.182 -10.817 1.00 0.00 H new ATOM 1834 N ASN A 119 11.915 9.952 -6.699 1.00 0.00 N ATOM 1835 CA ASN A 119 11.817 8.533 -7.022 1.00 0.00 C ATOM 1836 C ASN A 119 10.707 7.850 -6.245 1.00 0.00 C ATOM 1837 O ASN A 119 9.991 7.034 -6.810 1.00 0.00 O ATOM 1838 CB ASN A 119 13.140 7.829 -6.718 1.00 0.00 C ATOM 1839 CG ASN A 119 14.112 7.978 -7.864 1.00 0.00 C ATOM 1840 OD1 ASN A 119 13.816 7.655 -8.995 1.00 0.00 O ATOM 1841 ND2 ASN A 119 15.292 8.477 -7.607 1.00 0.00 N ATOM 0 H ASN A 119 12.647 10.164 -6.021 1.00 0.00 H new ATOM 0 HA ASN A 119 11.588 8.462 -8.085 1.00 0.00 H new ATOM 0 HB2 ASN A 119 13.577 8.246 -5.810 1.00 0.00 H new ATOM 0 HB3 ASN A 119 12.957 6.771 -6.527 1.00 0.00 H new ATOM 0 HD21 ASN A 119 15.970 8.597 -8.360 1.00 0.00 H new ATOM 0 HD22 ASN A 119 15.535 8.747 -6.654 1.00 0.00 H new ATOM 1848 N ASN A 120 10.577 8.184 -4.954 1.00 0.00 N ATOM 1849 CA ASN A 120 9.537 7.664 -4.072 1.00 0.00 C ATOM 1850 C ASN A 120 9.812 6.193 -3.720 1.00 0.00 C ATOM 1851 O ASN A 120 8.904 5.390 -3.566 1.00 0.00 O ATOM 1852 CB ASN A 120 8.142 7.937 -4.672 1.00 0.00 C ATOM 1853 CG ASN A 120 7.947 9.319 -5.253 1.00 0.00 C ATOM 1854 OD1 ASN A 120 8.662 10.270 -5.002 1.00 0.00 O ATOM 1855 ND2 ASN A 120 6.935 9.455 -6.069 1.00 0.00 N ATOM 0 H ASN A 120 11.208 8.837 -4.489 1.00 0.00 H new ATOM 0 HA ASN A 120 9.553 8.192 -3.119 1.00 0.00 H new ATOM 0 HB2 ASN A 120 7.951 7.202 -5.454 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.394 7.778 -3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 120 6.743 10.361 -6.497 1.00 0.00 H new ATOM 0 HD22 ASN A 120 6.337 8.655 -6.278 1.00 0.00 H new ATOM 1862 N GLN A 121 11.092 5.831 -3.602 1.00 0.00 N ATOM 1863 CA GLN A 121 11.493 4.448 -3.367 1.00 0.00 C ATOM 1864 C GLN A 121 11.082 4.009 -1.971 1.00 0.00 C ATOM 1865 O GLN A 121 10.377 3.024 -1.826 1.00 0.00 O ATOM 1866 CB GLN A 121 13.008 4.293 -3.527 1.00 0.00 C ATOM 1867 CG GLN A 121 13.353 2.871 -4.005 1.00 0.00 C ATOM 1868 CD GLN A 121 13.270 2.766 -5.523 1.00 0.00 C ATOM 1869 OE1 GLN A 121 12.573 1.949 -6.090 1.00 0.00 O ATOM 1870 NE2 GLN A 121 13.952 3.632 -6.238 1.00 0.00 N ATOM 0 H GLN A 121 11.872 6.485 -3.667 1.00 0.00 H new ATOM 0 HA GLN A 121 10.992 3.819 -4.103 1.00 0.00 H new ATOM 0 HB2 GLN A 121 13.382 5.025 -4.243 1.00 0.00 H new ATOM 0 HB3 GLN A 121 13.503 4.495 -2.577 1.00 0.00 H new ATOM 0 HG2 GLN A 121 14.357 2.606 -3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 121 12.668 2.155 -3.550 1.00 0.00 H new ATOM 0 HE21 GLN A 121 14.541 4.324 -5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 121 13.892 3.612 -7.256 1.00 0.00 H new ATOM 1879 N GLY A 122 11.502 4.760 -0.947 1.00 0.00 N ATOM 1880 CA GLY A 122 11.275 4.474 0.466 1.00 0.00 C ATOM 1881 C GLY A 122 12.415 3.715 1.107 1.00 0.00 C ATOM 1882 O GLY A 122 13.056 2.895 0.455 1.00 0.00 O ATOM 0 H GLY A 122 12.032 5.620 -1.091 1.00 0.00 H new ATOM 0 HA2 GLY A 122 11.124 5.412 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 122 10.357 3.896 0.571 1.00 0.00 H new ATOM 1886 N LYS A 123 12.683 4.025 2.378 1.00 0.00 N ATOM 1887 CA LYS A 123 13.762 3.402 3.160 1.00 0.00 C ATOM 1888 C LYS A 123 13.362 3.042 4.576 1.00 0.00 C ATOM 1889 O LYS A 123 13.479 1.885 4.942 1.00 0.00 O ATOM 1890 CB LYS A 123 15.014 4.281 3.216 1.00 0.00 C ATOM 1891 CG LYS A 123 15.441 4.794 1.841 1.00 0.00 C ATOM 1892 CD LYS A 123 16.917 5.201 1.862 1.00 0.00 C ATOM 1893 CE LYS A 123 17.404 5.458 0.432 1.00 0.00 C ATOM 1894 NZ LYS A 123 17.621 4.184 -0.309 1.00 0.00 N ATOM 0 H LYS A 123 12.154 4.722 2.901 1.00 0.00 H new ATOM 0 HA LYS A 123 13.981 2.478 2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 123 14.827 5.130 3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 123 15.833 3.712 3.656 1.00 0.00 H new ATOM 0 HG2 LYS A 123 15.281 4.020 1.090 1.00 0.00 H new ATOM 0 HG3 LYS A 123 14.825 5.647 1.556 1.00 0.00 H new ATOM 0 HD2 LYS A 123 17.048 6.098 2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 123 17.514 4.415 2.324 1.00 0.00 H new ATOM 0 HE2 LYS A 123 16.673 6.068 -0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 123 18.334 6.027 0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 18.137 4.379 -1.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 18.175 3.530 0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 16.702 3.753 -0.534 1.00 0.00 H new ATOM 1908 N GLU A 124 12.961 4.055 5.345 1.00 0.00 N ATOM 1909 CA GLU A 124 12.415 3.878 6.694 1.00 0.00 C ATOM 1910 C GLU A 124 11.198 2.942 6.655 1.00 0.00 C ATOM 1911 O GLU A 124 10.686 2.612 5.577 1.00 0.00 O ATOM 1912 CB GLU A 124 12.038 5.258 7.273 1.00 0.00 C ATOM 1913 CG GLU A 124 13.251 6.063 7.753 1.00 0.00 C ATOM 1914 CD GLU A 124 13.618 5.678 9.183 1.00 0.00 C ATOM 1915 OE1 GLU A 124 12.854 6.063 10.090 1.00 0.00 O ATOM 1916 OE2 GLU A 124 14.647 4.985 9.318 1.00 0.00 O ATOM 0 H GLU A 124 13.006 5.030 5.048 1.00 0.00 H new ATOM 0 HA GLU A 124 13.165 3.420 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 124 11.507 5.831 6.513 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.349 5.119 8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 124 14.099 5.882 7.093 1.00 0.00 H new ATOM 0 HG3 GLU A 124 13.030 7.129 7.703 1.00 0.00 H new ATOM 1923 N PHE A 125 10.728 2.557 7.840 1.00 0.00 N ATOM 1924 CA PHE A 125 9.521 1.758 8.023 1.00 0.00 C ATOM 1925 C PHE A 125 8.308 2.283 7.228 1.00 0.00 C ATOM 1926 O PHE A 125 8.268 3.399 6.696 1.00 0.00 O ATOM 1927 CB PHE A 125 9.187 1.653 9.522 1.00 0.00 C ATOM 1928 CG PHE A 125 8.497 2.880 10.089 1.00 0.00 C ATOM 1929 CD1 PHE A 125 9.188 4.106 10.164 1.00 0.00 C ATOM 1930 CD2 PHE A 125 7.143 2.817 10.481 1.00 0.00 C ATOM 1931 CE1 PHE A 125 8.541 5.249 10.647 1.00 0.00 C ATOM 1932 CE2 PHE A 125 6.498 3.965 10.975 1.00 0.00 C ATOM 1933 CZ PHE A 125 7.207 5.175 11.080 1.00 0.00 C ATOM 0 H PHE A 125 11.187 2.798 8.718 1.00 0.00 H new ATOM 0 HA PHE A 125 9.734 0.768 7.621 1.00 0.00 H new ATOM 0 HB2 PHE A 125 8.549 0.784 9.681 1.00 0.00 H new ATOM 0 HB3 PHE A 125 10.108 1.478 10.077 1.00 0.00 H new ATOM 0 HD1 PHE A 125 10.219 4.164 9.848 1.00 0.00 H new ATOM 0 HD2 PHE A 125 6.601 1.886 10.402 1.00 0.00 H new ATOM 0 HE1 PHE A 125 9.069 6.190 10.687 1.00 0.00 H new ATOM 0 HE2 PHE A 125 5.461 3.917 11.273 1.00 0.00 H new ATOM 0 HZ PHE A 125 6.725 6.048 11.494 1.00 0.00 H new ATOM 1943 N PHE A 126 7.276 1.454 7.168 1.00 0.00 N ATOM 1944 CA PHE A 126 6.059 1.817 6.467 1.00 0.00 C ATOM 1945 C PHE A 126 5.159 2.652 7.375 1.00 0.00 C ATOM 1946 O PHE A 126 4.645 2.182 8.393 1.00 0.00 O ATOM 1947 CB PHE A 126 5.390 0.555 5.969 1.00 0.00 C ATOM 1948 CG PHE A 126 6.072 -0.063 4.775 1.00 0.00 C ATOM 1949 CD1 PHE A 126 7.193 -0.897 4.934 1.00 0.00 C ATOM 1950 CD2 PHE A 126 5.554 0.173 3.497 1.00 0.00 C ATOM 1951 CE1 PHE A 126 7.809 -1.468 3.809 1.00 0.00 C ATOM 1952 CE2 PHE A 126 6.081 -0.499 2.392 1.00 0.00 C ATOM 1953 CZ PHE A 126 7.250 -1.279 2.532 1.00 0.00 C ATOM 0 H PHE A 126 7.259 0.528 7.596 1.00 0.00 H new ATOM 0 HA PHE A 126 6.282 2.439 5.600 1.00 0.00 H new ATOM 0 HB2 PHE A 126 5.363 -0.175 6.778 1.00 0.00 H new ATOM 0 HB3 PHE A 126 4.356 0.781 5.709 1.00 0.00 H new ATOM 0 HD1 PHE A 126 7.580 -1.098 5.922 1.00 0.00 H new ATOM 0 HD2 PHE A 126 4.745 0.876 3.365 1.00 0.00 H new ATOM 0 HE1 PHE A 126 8.711 -2.051 3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 126 5.595 -0.422 1.431 1.00 0.00 H new ATOM 0 HZ PHE A 126 7.712 -1.727 1.665 1.00 0.00 H new ATOM 1963 N GLU A 127 4.962 3.909 7.009 1.00 0.00 N ATOM 1964 CA GLU A 127 4.046 4.799 7.699 1.00 0.00 C ATOM 1965 C GLU A 127 2.664 4.674 7.060 1.00 0.00 C ATOM 1966 O GLU A 127 2.502 4.861 5.859 1.00 0.00 O ATOM 1967 CB GLU A 127 4.546 6.253 7.684 1.00 0.00 C ATOM 1968 CG GLU A 127 6.021 6.373 8.084 1.00 0.00 C ATOM 1969 CD GLU A 127 6.381 7.761 8.693 1.00 0.00 C ATOM 1970 OE1 GLU A 127 5.871 8.786 8.188 1.00 0.00 O ATOM 1971 OE2 GLU A 127 7.289 7.856 9.558 1.00 0.00 O ATOM 0 H GLU A 127 5.438 4.342 6.218 1.00 0.00 H new ATOM 0 HA GLU A 127 3.986 4.508 8.748 1.00 0.00 H new ATOM 0 HB2 GLU A 127 4.409 6.670 6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.939 6.849 8.365 1.00 0.00 H new ATOM 0 HG2 GLU A 127 6.259 5.593 8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 127 6.644 6.195 7.207 1.00 0.00 H new ATOM 1978 N LYS A 128 1.648 4.312 7.846 1.00 0.00 N ATOM 1979 CA LYS A 128 0.245 4.323 7.394 1.00 0.00 C ATOM 1980 C LYS A 128 -0.165 5.656 6.753 1.00 0.00 C ATOM 1981 O LYS A 128 0.480 6.684 6.938 1.00 0.00 O ATOM 1982 CB LYS A 128 -0.708 4.005 8.536 1.00 0.00 C ATOM 1983 CG LYS A 128 -0.507 2.584 9.045 1.00 0.00 C ATOM 1984 CD LYS A 128 -1.680 2.177 9.931 1.00 0.00 C ATOM 1985 CE LYS A 128 -1.623 2.925 11.254 1.00 0.00 C ATOM 1986 NZ LYS A 128 -2.985 3.147 11.810 1.00 0.00 N ATOM 0 H LYS A 128 1.768 4.003 8.811 1.00 0.00 H new ATOM 0 HA LYS A 128 0.176 3.547 6.632 1.00 0.00 H new ATOM 0 HB2 LYS A 128 -0.551 4.711 9.351 1.00 0.00 H new ATOM 0 HB3 LYS A 128 -1.737 4.131 8.199 1.00 0.00 H new ATOM 0 HG2 LYS A 128 -0.420 1.896 8.204 1.00 0.00 H new ATOM 0 HG3 LYS A 128 0.424 2.519 9.608 1.00 0.00 H new ATOM 0 HD2 LYS A 128 -2.620 2.392 9.423 1.00 0.00 H new ATOM 0 HD3 LYS A 128 -1.654 1.102 10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 128 -1.024 2.360 11.968 1.00 0.00 H new ATOM 0 HE3 LYS A 128 -1.126 3.884 11.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 -3.078 4.137 12.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 -3.696 2.942 11.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 -3.134 2.518 12.625 1.00 0.00 H new ATOM 2000 N CYS A 129 -1.272 5.626 6.029 1.00 0.00 N ATOM 2001 CA CYS A 129 -1.839 6.815 5.427 1.00 0.00 C ATOM 2002 C CYS A 129 -2.986 7.357 6.283 1.00 0.00 C ATOM 2003 O CYS A 129 -3.517 6.604 7.104 1.00 0.00 O ATOM 2004 CB CYS A 129 -2.333 6.404 4.052 1.00 0.00 C ATOM 2005 SG CYS A 129 -2.380 7.733 2.881 1.00 0.00 S ATOM 0 H CYS A 129 -1.801 4.774 5.844 1.00 0.00 H new ATOM 0 HA CYS A 129 -1.100 7.613 5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 129 -1.688 5.615 3.666 1.00 0.00 H new ATOM 0 HB3 CYS A 129 -3.333 5.981 4.147 1.00 0.00 H new ATOM 2010 N ASP A 130 -3.363 8.615 6.029 1.00 0.00 N ATOM 2011 CA ASP A 130 -4.424 9.351 6.737 1.00 0.00 C ATOM 2012 C ASP A 130 -5.415 10.071 5.820 1.00 0.00 C ATOM 2013 O ASP A 130 -5.072 11.109 5.197 1.00 0.00 O ATOM 2014 CB ASP A 130 -3.815 10.311 7.767 1.00 0.00 C ATOM 2015 CG ASP A 130 -3.343 9.684 9.104 1.00 0.00 C ATOM 2016 OD1 ASP A 130 -3.837 8.618 9.551 1.00 0.00 O ATOM 2017 OD2 ASP A 130 -2.472 10.336 9.729 1.00 0.00 O ATOM 2018 OXT ASP A 130 -6.536 9.530 5.748 1.00 0.00 O ATOM 0 H ASP A 130 -2.922 9.172 5.297 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.018 8.597 7.254 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -2.963 10.811 7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -4.552 11.081 7.993 1.00 0.00 H new