USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 814 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot -161:sc= 0.985 USER MOD Set 1.2: A 30 THR OG1 : rot -117:sc= 1.19 USER MOD Single : A 1 ASP N :NH3+ 134:sc= 0.0918 (180deg=-0.357) USER MOD Single : A 2 LYS NZ :NH3+ -146:sc= -0.249 (180deg=-1.73!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 48:sc= 0.235 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -156:sc= -0.188 (180deg=-0.63) USER MOD Single : A 14 THR OG1 : rot 70:sc= -3.07! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.13! C(o=-2.1!,f=-4.7!) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0461 USER MOD Single : A 37 TYR OH : rot 179:sc= 1.23 USER MOD Single : A 38 SER OG : rot 64:sc= 1.21 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -44:sc= 1.39 USER MOD Single : A 55 ASN : amide:sc= -4.73! C(o=-4.7!,f=-5!) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 160:sc= -4.04! USER MOD Single : A 67 ASN : amide:sc=-0.00022 K(o=-0.00022,f=-1.9!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 73 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0.017) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 145:sc= -0.263 (180deg=-0.869) USER MOD Single : A 90 SER OG : rot 140:sc= -0.173 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -132:sc= -5.52! (180deg=-8.77!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -10.1! C(o=-10!,f=-16!) USER MOD Single : A 102 ASN : amide:sc= -0.765 K(o=-0.77,f=-1.9) USER MOD Single : A 103 HIS : no HD1:sc= -4.41! C(o=-4.4!,f=-11!) USER MOD Single : A 104 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-3.8!) USER MOD Single : A 106 HIS : no HD1:sc= -6.08! C(o=-6.1!,f=-4.8!) USER MOD Single : A 107 LYS NZ :NH3+ -112:sc= 0.0722 (180deg=-0.663) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 11.674 -4.663 19.486 1.00 50.00 N ATOM 2 CA ASP A 1 11.035 -3.431 18.939 1.00 50.00 C ATOM 3 C ASP A 1 11.995 -2.716 17.983 1.00 50.00 C ATOM 4 O ASP A 1 13.167 -3.030 17.917 1.00 50.00 O ATOM 5 CB ASP A 1 10.745 -2.558 20.161 1.00 50.00 C ATOM 6 CG ASP A 1 12.064 -2.145 20.818 1.00 50.00 C ATOM 7 OD1 ASP A 1 12.734 -1.288 20.266 1.00 50.00 O ATOM 8 OD2 ASP A 1 12.379 -2.692 21.862 1.00 50.00 O ATOM 0 H1 ASP A 1 11.519 -4.708 20.513 1.00 50.00 H new ATOM 0 H2 ASP A 1 11.254 -5.501 19.036 1.00 50.00 H new ATOM 0 H3 ASP A 1 12.695 -4.640 19.291 1.00 50.00 H new ATOM 0 HA ASP A 1 10.130 -3.652 18.373 1.00 50.00 H new ATOM 0 HB2 ASP A 1 10.182 -1.673 19.864 1.00 50.00 H new ATOM 0 HB3 ASP A 1 10.127 -3.105 20.873 1.00 50.00 H new ATOM 15 N LYS A 2 11.508 -1.759 17.243 1.00 50.00 N ATOM 16 CA LYS A 2 12.393 -1.027 16.294 1.00 50.00 C ATOM 17 C LYS A 2 12.482 0.452 16.683 1.00 50.00 C ATOM 18 O LYS A 2 11.722 0.934 17.498 1.00 50.00 O ATOM 19 CB LYS A 2 11.725 -1.182 14.928 1.00 50.00 C ATOM 20 CG LYS A 2 12.779 -1.050 13.826 1.00 50.00 C ATOM 21 CD LYS A 2 12.501 -2.077 12.726 1.00 50.00 C ATOM 22 CE LYS A 2 12.997 -3.454 13.175 1.00 50.00 C ATOM 23 NZ LYS A 2 14.475 -3.310 13.294 1.00 50.00 N ATOM 0 H LYS A 2 10.535 -1.452 17.254 1.00 50.00 H new ATOM 0 HA LYS A 2 13.411 -1.417 16.297 1.00 50.00 H new ATOM 0 HB2 LYS A 2 11.232 -2.152 14.860 1.00 50.00 H new ATOM 0 HB3 LYS A 2 10.953 -0.423 14.801 1.00 50.00 H new ATOM 0 HG2 LYS A 2 12.761 -0.043 13.410 1.00 50.00 H new ATOM 0 HG3 LYS A 2 13.775 -1.206 14.240 1.00 50.00 H new ATOM 0 HD2 LYS A 2 11.433 -2.116 12.512 1.00 50.00 H new ATOM 0 HD3 LYS A 2 13.001 -1.782 11.803 1.00 50.00 H new ATOM 0 HE2 LYS A 2 12.551 -3.744 14.126 1.00 50.00 H new ATOM 0 HE3 LYS A 2 12.732 -4.225 12.451 1.00 50.00 H new ATOM 0 HZ1 LYS A 2 14.934 -4.204 13.027 1.00 50.00 H new ATOM 0 HZ2 LYS A 2 14.802 -2.551 12.662 1.00 50.00 H new ATOM 0 HZ3 LYS A 2 14.723 -3.074 14.276 1.00 50.00 H new ATOM 37 N LEU A 3 13.404 1.172 16.107 1.00 50.00 N ATOM 38 CA LEU A 3 13.540 2.618 16.445 1.00 50.00 C ATOM 39 C LEU A 3 12.383 3.414 15.832 1.00 50.00 C ATOM 40 O LEU A 3 12.181 3.412 14.635 1.00 50.00 O ATOM 41 CB LEU A 3 14.872 3.045 15.826 1.00 50.00 C ATOM 42 CG LEU A 3 15.906 3.249 16.935 1.00 50.00 C ATOM 43 CD1 LEU A 3 15.447 4.377 17.861 1.00 50.00 C ATOM 44 CD2 LEU A 3 16.048 1.957 17.742 1.00 50.00 C ATOM 0 H LEU A 3 14.069 0.823 15.417 1.00 50.00 H new ATOM 0 HA LEU A 3 13.514 2.796 17.520 1.00 50.00 H new ATOM 0 HB2 LEU A 3 15.220 2.286 15.125 1.00 50.00 H new ATOM 0 HB3 LEU A 3 14.743 3.967 15.260 1.00 50.00 H new ATOM 0 HG LEU A 3 16.867 3.511 16.491 1.00 50.00 H new ATOM 0 HD11 LEU A 3 16.184 4.522 18.651 1.00 50.00 H new ATOM 0 HD12 LEU A 3 15.343 5.298 17.288 1.00 50.00 H new ATOM 0 HD13 LEU A 3 14.486 4.115 18.305 1.00 50.00 H new ATOM 0 HD21 LEU A 3 16.784 2.101 18.533 1.00 50.00 H new ATOM 0 HD22 LEU A 3 15.086 1.697 18.185 1.00 50.00 H new ATOM 0 HD23 LEU A 3 16.374 1.151 17.084 1.00 50.00 H new ATOM 56 N ALA A 4 11.622 4.093 16.646 1.00 50.00 N ATOM 57 CA ALA A 4 10.479 4.887 16.110 1.00 50.00 C ATOM 58 C ALA A 4 10.956 6.277 15.677 1.00 50.00 C ATOM 59 O ALA A 4 12.010 6.734 16.073 1.00 50.00 O ATOM 60 CB ALA A 4 9.493 4.996 17.274 1.00 50.00 C ATOM 0 H ALA A 4 11.742 4.133 17.658 1.00 50.00 H new ATOM 0 HA ALA A 4 10.027 4.421 15.235 1.00 50.00 H new ATOM 0 HB1 ALA A 4 8.621 5.569 16.959 1.00 50.00 H new ATOM 0 HB2 ALA A 4 9.181 3.998 17.581 1.00 50.00 H new ATOM 0 HB3 ALA A 4 9.974 5.499 18.113 1.00 50.00 H new ATOM 66 N LEU A 5 10.187 6.951 14.867 1.00 50.00 N ATOM 67 CA LEU A 5 10.594 8.310 14.408 1.00 50.00 C ATOM 68 C LEU A 5 9.885 9.383 15.239 1.00 50.00 C ATOM 69 O LEU A 5 9.001 10.067 14.762 1.00 50.00 O ATOM 70 CB LEU A 5 10.151 8.384 12.947 1.00 50.00 C ATOM 71 CG LEU A 5 11.259 7.837 12.046 1.00 50.00 C ATOM 72 CD1 LEU A 5 10.637 7.091 10.865 1.00 50.00 C ATOM 73 CD2 LEU A 5 12.109 8.998 11.524 1.00 50.00 C ATOM 0 H LEU A 5 9.294 6.620 14.503 1.00 50.00 H new ATOM 0 HA LEU A 5 11.665 8.479 14.518 1.00 50.00 H new ATOM 0 HB2 LEU A 5 9.236 7.809 12.805 1.00 50.00 H new ATOM 0 HB3 LEU A 5 9.925 9.416 12.677 1.00 50.00 H new ATOM 0 HG LEU A 5 11.886 7.153 12.617 1.00 50.00 H new ATOM 0 HD11 LEU A 5 11.428 6.702 10.224 1.00 50.00 H new ATOM 0 HD12 LEU A 5 10.030 6.265 11.235 1.00 50.00 H new ATOM 0 HD13 LEU A 5 10.009 7.774 10.293 1.00 50.00 H new ATOM 0 HD21 LEU A 5 12.899 8.610 10.882 1.00 50.00 H new ATOM 0 HD22 LEU A 5 11.480 9.681 10.953 1.00 50.00 H new ATOM 0 HD23 LEU A 5 12.553 9.530 12.365 1.00 50.00 H new ATOM 85 N LYS A 6 10.265 9.536 16.478 1.00 50.00 N ATOM 86 CA LYS A 6 9.609 10.565 17.337 1.00 50.00 C ATOM 87 C LYS A 6 10.536 11.768 17.526 1.00 50.00 C ATOM 88 O LYS A 6 11.734 11.679 17.337 1.00 50.00 O ATOM 89 CB LYS A 6 9.358 9.864 18.672 1.00 50.00 C ATOM 90 CG LYS A 6 7.971 10.243 19.195 1.00 50.00 C ATOM 91 CD LYS A 6 7.082 8.998 19.236 1.00 50.00 C ATOM 92 CE LYS A 6 6.173 9.062 20.466 1.00 50.00 C ATOM 93 NZ LYS A 6 5.063 8.113 20.172 1.00 50.00 N ATOM 0 H LYS A 6 11.000 8.994 16.933 1.00 50.00 H new ATOM 0 HA LYS A 6 8.687 10.944 16.896 1.00 50.00 H new ATOM 0 HB2 LYS A 6 9.428 8.784 18.546 1.00 50.00 H new ATOM 0 HB3 LYS A 6 10.122 10.151 19.395 1.00 50.00 H new ATOM 0 HG2 LYS A 6 8.053 10.677 20.191 1.00 50.00 H new ATOM 0 HG3 LYS A 6 7.523 11.001 18.553 1.00 50.00 H new ATOM 0 HD2 LYS A 6 6.481 8.937 18.329 1.00 50.00 H new ATOM 0 HD3 LYS A 6 7.698 8.099 19.272 1.00 50.00 H new ATOM 0 HE2 LYS A 6 6.710 8.774 21.370 1.00 50.00 H new ATOM 0 HE3 LYS A 6 5.797 10.072 20.627 1.00 50.00 H new ATOM 0 HZ1 LYS A 6 4.396 8.101 20.970 1.00 50.00 H new ATOM 0 HZ2 LYS A 6 4.566 8.416 19.310 1.00 50.00 H new ATOM 0 HZ3 LYS A 6 5.451 7.159 20.030 1.00 50.00 H new ATOM 107 N GLY A 7 9.991 12.895 17.897 1.00 50.00 N ATOM 108 CA GLY A 7 10.838 14.105 18.097 1.00 50.00 C ATOM 109 C GLY A 7 10.092 15.337 17.583 1.00 50.00 C ATOM 110 O GLY A 7 10.199 16.416 18.133 1.00 50.00 O ATOM 0 H GLY A 7 8.995 13.030 18.070 1.00 50.00 H new ATOM 0 HA2 GLY A 7 11.076 14.225 19.154 1.00 50.00 H new ATOM 0 HA3 GLY A 7 11.784 13.992 17.568 1.00 50.00 H new ATOM 114 N THR A 8 9.334 15.184 16.532 1.00 50.00 N ATOM 115 CA THR A 8 8.576 16.343 15.980 1.00 50.00 C ATOM 116 C THR A 8 7.098 15.978 15.826 1.00 50.00 C ATOM 117 O THR A 8 6.736 15.134 15.028 1.00 50.00 O ATOM 118 CB THR A 8 9.207 16.611 14.613 1.00 50.00 C ATOM 119 OG1 THR A 8 8.428 17.573 13.914 1.00 50.00 O ATOM 120 CG2 THR A 8 9.256 15.311 13.809 1.00 50.00 C ATOM 0 H THR A 8 9.207 14.305 16.031 1.00 50.00 H new ATOM 0 HA THR A 8 8.623 17.217 16.629 1.00 50.00 H new ATOM 0 HB THR A 8 10.220 16.991 14.748 1.00 50.00 H new ATOM 0 HG1 THR A 8 8.832 17.747 13.038 1.00 50.00 H new ATOM 0 HG21 THR A 8 9.706 15.502 12.835 1.00 50.00 H new ATOM 0 HG22 THR A 8 9.853 14.574 14.346 1.00 50.00 H new ATOM 0 HG23 THR A 8 8.244 14.929 13.673 1.00 50.00 H new ATOM 128 N THR A 9 6.238 16.605 16.581 1.00 50.00 N ATOM 129 CA THR A 9 4.784 16.289 16.476 1.00 50.00 C ATOM 130 C THR A 9 4.099 17.262 15.512 1.00 50.00 C ATOM 131 O THR A 9 3.761 18.372 15.870 1.00 50.00 O ATOM 132 CB THR A 9 4.237 16.460 17.894 1.00 50.00 C ATOM 133 OG1 THR A 9 4.777 17.641 18.469 1.00 50.00 O ATOM 134 CG2 THR A 9 4.631 15.250 18.742 1.00 50.00 C ATOM 0 H THR A 9 6.478 17.322 17.266 1.00 50.00 H new ATOM 0 HA THR A 9 4.606 15.285 16.091 1.00 50.00 H new ATOM 0 HB THR A 9 3.150 16.538 17.859 1.00 50.00 H new ATOM 0 HG1 THR A 9 4.698 18.381 17.832 1.00 50.00 H new ATOM 0 HG21 THR A 9 4.241 15.372 19.753 1.00 50.00 H new ATOM 0 HG22 THR A 9 4.216 14.345 18.299 1.00 50.00 H new ATOM 0 HG23 THR A 9 5.717 15.170 18.779 1.00 50.00 H new ATOM 142 N TYR A 10 3.890 16.850 14.291 1.00 50.00 N ATOM 143 CA TYR A 10 3.225 17.748 13.303 1.00 50.00 C ATOM 144 C TYR A 10 1.784 17.290 13.063 1.00 50.00 C ATOM 145 O TYR A 10 1.360 16.261 13.552 1.00 50.00 O ATOM 146 CB TYR A 10 4.052 17.610 12.025 1.00 50.00 C ATOM 147 CG TYR A 10 4.791 18.900 11.761 1.00 50.00 C ATOM 148 CD1 TYR A 10 4.136 20.128 11.918 1.00 50.00 C ATOM 149 CD2 TYR A 10 6.131 18.869 11.358 1.00 50.00 C ATOM 150 CE1 TYR A 10 4.821 21.323 11.672 1.00 50.00 C ATOM 151 CE2 TYR A 10 6.817 20.064 11.112 1.00 50.00 C ATOM 152 CZ TYR A 10 6.162 21.291 11.269 1.00 50.00 C ATOM 153 OH TYR A 10 6.837 22.470 11.027 1.00 49.57 O ATOM 0 H TYR A 10 4.151 15.931 13.935 1.00 50.00 H new ATOM 0 HA TYR A 10 3.177 18.781 13.647 1.00 50.00 H new ATOM 0 HB2 TYR A 10 4.760 16.787 12.124 1.00 50.00 H new ATOM 0 HB3 TYR A 10 3.402 17.372 11.183 1.00 50.00 H new ATOM 0 HD1 TYR A 10 3.102 20.153 12.229 1.00 50.00 H new ATOM 0 HD2 TYR A 10 6.636 17.922 11.237 1.00 50.00 H new ATOM 0 HE1 TYR A 10 4.316 22.270 11.793 1.00 50.00 H new ATOM 0 HE2 TYR A 10 7.851 20.039 10.801 1.00 50.00 H new ATOM 0 HH TYR A 10 7.758 22.270 10.757 1.00 49.57 H new ATOM 163 N GLY A 11 1.027 18.046 12.315 1.00 50.00 N ATOM 164 CA GLY A 11 -0.386 17.651 12.047 1.00 50.00 C ATOM 165 C GLY A 11 -0.439 16.728 10.828 1.00 50.00 C ATOM 166 O GLY A 11 0.225 16.953 9.836 1.00 50.00 O ATOM 0 H GLY A 11 1.325 18.918 11.879 1.00 50.00 H new ATOM 0 HA2 GLY A 11 -0.804 17.145 12.917 1.00 50.00 H new ATOM 0 HA3 GLY A 11 -0.995 18.538 11.871 1.00 50.00 H new ATOM 170 N MET A 12 -1.226 15.689 10.895 1.00 50.00 N ATOM 171 CA MET A 12 -1.324 14.747 9.741 1.00 50.00 C ATOM 172 C MET A 12 -2.284 15.302 8.684 1.00 50.00 C ATOM 173 O MET A 12 -3.457 15.486 8.933 1.00 50.00 O ATOM 174 CB MET A 12 -1.879 13.453 10.337 1.00 50.00 C ATOM 175 CG MET A 12 -3.296 13.695 10.858 1.00 50.00 C ATOM 176 SD MET A 12 -3.672 12.499 12.164 1.00 50.00 S ATOM 177 CE MET A 12 -5.040 11.666 11.321 1.00 50.00 C ATOM 0 H MET A 12 -1.806 15.451 11.699 1.00 50.00 H new ATOM 0 HA MET A 12 -0.363 14.594 9.249 1.00 50.00 H new ATOM 0 HB2 MET A 12 -1.888 12.667 9.582 1.00 50.00 H new ATOM 0 HB3 MET A 12 -1.236 13.109 11.147 1.00 50.00 H new ATOM 0 HG2 MET A 12 -3.384 14.711 11.244 1.00 50.00 H new ATOM 0 HG3 MET A 12 -4.015 13.599 10.045 1.00 50.00 H new ATOM 0 HE1 MET A 12 -5.692 11.198 12.059 1.00 50.00 H new ATOM 0 HE2 MET A 12 -5.609 12.395 10.744 1.00 50.00 H new ATOM 0 HE3 MET A 12 -4.644 10.903 10.651 1.00 50.00 H new ATOM 187 N CYS A 13 -1.793 15.566 7.503 1.00 99.99 N ATOM 188 CA CYS A 13 -2.683 16.101 6.434 1.00 99.99 C ATOM 189 C CYS A 13 -2.201 15.638 5.052 1.00 99.99 C ATOM 190 O CYS A 13 -1.199 16.092 4.545 1.00 99.99 O ATOM 191 CB CYS A 13 -2.596 17.628 6.579 1.00 99.99 C ATOM 192 SG CYS A 13 -1.074 18.264 5.821 1.00 99.99 S ATOM 0 H CYS A 13 -0.818 15.435 7.233 1.00 99.99 H new ATOM 0 HA CYS A 13 -3.710 15.747 6.528 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -3.463 18.092 6.109 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -2.623 17.899 7.634 1.00 99.99 H new ATOM 197 N THR A 14 -2.910 14.736 4.431 1.00 99.99 N ATOM 198 CA THR A 14 -2.479 14.261 3.085 1.00 99.99 C ATOM 199 C THR A 14 -3.639 13.587 2.351 1.00 99.99 C ATOM 200 O THR A 14 -3.511 12.485 1.852 1.00 99.99 O ATOM 201 CB THR A 14 -1.360 13.255 3.355 1.00 99.99 C ATOM 202 OG1 THR A 14 -0.842 13.468 4.660 1.00 99.99 O ATOM 203 CG2 THR A 14 -0.246 13.440 2.324 1.00 99.99 C ATOM 0 H THR A 14 -3.763 14.310 4.793 1.00 99.99 H new ATOM 0 HA THR A 14 -2.146 15.084 2.453 1.00 99.99 H new ATOM 0 HB THR A 14 -1.754 12.241 3.281 1.00 99.99 H new ATOM 0 HG1 THR A 14 -1.507 13.192 5.325 1.00 99.99 H new ATOM 0 HG21 THR A 14 0.551 12.722 2.517 1.00 99.99 H new ATOM 0 HG22 THR A 14 -0.646 13.277 1.323 1.00 99.99 H new ATOM 0 HG23 THR A 14 0.152 14.452 2.396 1.00 99.99 H new ATOM 211 N GLU A 15 -4.767 14.235 2.271 1.00 99.99 N ATOM 212 CA GLU A 15 -5.922 13.620 1.559 1.00 99.99 C ATOM 213 C GLU A 15 -5.747 13.775 0.044 1.00 99.99 C ATOM 214 O GLU A 15 -6.660 13.548 -0.723 1.00 99.99 O ATOM 215 CB GLU A 15 -7.150 14.393 2.042 1.00 99.99 C ATOM 216 CG GLU A 15 -6.927 15.893 1.838 1.00 99.99 C ATOM 217 CD GLU A 15 -8.259 16.564 1.501 1.00 99.99 C ATOM 218 OE1 GLU A 15 -9.177 16.446 2.296 1.00 99.99 O ATOM 219 OE2 GLU A 15 -8.340 17.184 0.452 1.00 99.99 O ATOM 0 H GLU A 15 -4.939 15.160 2.666 1.00 99.99 H new ATOM 0 HA GLU A 15 -6.013 12.553 1.763 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -8.035 14.069 1.494 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -7.333 14.183 3.096 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -6.503 16.335 2.740 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -6.210 16.059 1.034 1.00 99.99 H new ATOM 226 N LYS A 16 -4.576 14.162 -0.391 1.00 50.00 N ATOM 227 CA LYS A 16 -4.342 14.332 -1.854 1.00 50.00 C ATOM 228 C LYS A 16 -3.578 13.128 -2.416 1.00 50.00 C ATOM 229 O LYS A 16 -2.487 13.261 -2.932 1.00 50.00 O ATOM 230 CB LYS A 16 -3.494 15.600 -1.972 1.00 50.00 C ATOM 231 CG LYS A 16 -4.284 16.798 -1.442 1.00 50.00 C ATOM 232 CD LYS A 16 -3.843 17.107 -0.010 1.00 50.00 C ATOM 233 CE LYS A 16 -4.311 18.512 0.375 1.00 50.00 C ATOM 234 NZ LYS A 16 -3.902 18.677 1.798 1.00 50.00 N ATOM 0 H LYS A 16 -3.773 14.367 0.204 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.275 14.406 -2.413 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -2.568 15.484 -1.408 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -3.215 15.767 -3.012 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -4.120 17.666 -2.080 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -5.352 16.582 -1.466 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -4.261 16.372 0.677 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -2.758 17.038 0.071 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -3.850 19.269 -0.259 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -5.390 18.614 0.260 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -4.189 19.618 2.135 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -4.362 17.947 2.378 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -2.869 18.582 1.876 1.00 50.00 H new ATOM 248 N PHE A 17 -4.144 11.955 -2.328 1.00 50.00 N ATOM 249 CA PHE A 17 -3.449 10.750 -2.867 1.00 50.00 C ATOM 250 C PHE A 17 -4.030 10.390 -4.237 1.00 50.00 C ATOM 251 O PHE A 17 -5.210 10.542 -4.479 1.00 50.00 O ATOM 252 CB PHE A 17 -3.727 9.639 -1.853 1.00 50.00 C ATOM 253 CG PHE A 17 -2.422 9.139 -1.282 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.364 10.030 -1.067 1.00 50.00 C ATOM 255 CD2 PHE A 17 -2.269 7.783 -0.966 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.154 9.568 -0.537 1.00 50.00 C ATOM 257 CE2 PHE A 17 -1.059 7.321 -0.436 1.00 50.00 C ATOM 258 CZ PHE A 17 -0.001 8.212 -0.222 1.00 50.00 C ATOM 0 H PHE A 17 -5.056 11.779 -1.907 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.379 10.910 -3.002 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.366 10.014 -1.053 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.264 8.820 -2.333 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.482 11.076 -1.311 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -3.084 7.094 -1.131 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.661 10.257 -0.371 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -0.941 6.276 -0.192 1.00 50.00 H new ATOM 0 HZ PHE A 17 0.933 7.854 0.186 1.00 50.00 H new ATOM 268 N SER A 18 -3.212 9.920 -5.140 1.00 50.00 N ATOM 269 CA SER A 18 -3.731 9.562 -6.492 1.00 50.00 C ATOM 270 C SER A 18 -3.332 8.133 -6.862 1.00 50.00 C ATOM 271 O SER A 18 -2.219 7.878 -7.279 1.00 50.00 O ATOM 272 CB SER A 18 -3.077 10.563 -7.444 1.00 50.00 C ATOM 273 OG SER A 18 -3.385 10.205 -8.785 1.00 50.00 O ATOM 0 H SER A 18 -2.213 9.769 -5.002 1.00 50.00 H new ATOM 0 HA SER A 18 -4.819 9.604 -6.536 1.00 50.00 H new ATOM 0 HB2 SER A 18 -3.435 11.571 -7.233 1.00 50.00 H new ATOM 0 HB3 SER A 18 -1.997 10.571 -7.296 1.00 50.00 H new ATOM 0 HG SER A 18 -2.968 10.846 -9.399 1.00 50.00 H new ATOM 279 N PHE A 19 -4.230 7.197 -6.715 1.00 50.00 N ATOM 280 CA PHE A 19 -3.897 5.789 -7.060 1.00 50.00 C ATOM 281 C PHE A 19 -3.484 5.687 -8.531 1.00 50.00 C ATOM 282 O PHE A 19 -4.296 5.795 -9.426 1.00 50.00 O ATOM 283 CB PHE A 19 -5.180 4.993 -6.801 1.00 50.00 C ATOM 284 CG PHE A 19 -6.384 5.748 -7.320 1.00 50.00 C ATOM 285 CD1 PHE A 19 -6.736 5.661 -8.674 1.00 50.00 C ATOM 286 CD2 PHE A 19 -7.150 6.530 -6.447 1.00 50.00 C ATOM 287 CE1 PHE A 19 -7.853 6.357 -9.152 1.00 50.00 C ATOM 288 CE2 PHE A 19 -8.268 7.225 -6.927 1.00 50.00 C ATOM 289 CZ PHE A 19 -8.618 7.139 -8.279 1.00 50.00 C ATOM 0 H PHE A 19 -5.178 7.348 -6.371 1.00 50.00 H new ATOM 0 HA PHE A 19 -3.063 5.409 -6.470 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -5.116 4.020 -7.287 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -5.291 4.809 -5.733 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -6.146 5.058 -9.348 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -6.879 6.598 -5.404 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -8.124 6.290 -10.195 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.860 7.827 -6.253 1.00 50.00 H new ATOM 0 HZ PHE A 19 -9.479 7.676 -8.649 1.00 50.00 H new ATOM 299 N ALA A 20 -2.223 5.475 -8.784 1.00 50.00 N ATOM 300 CA ALA A 20 -1.756 5.361 -10.194 1.00 50.00 C ATOM 301 C ALA A 20 -1.716 3.889 -10.610 1.00 50.00 C ATOM 302 O ALA A 20 -1.785 3.561 -11.777 1.00 50.00 O ATOM 303 CB ALA A 20 -0.348 5.957 -10.195 1.00 50.00 C ATOM 0 H ALA A 20 -1.496 5.376 -8.076 1.00 50.00 H new ATOM 0 HA ALA A 20 -2.414 5.876 -10.894 1.00 50.00 H new ATOM 0 HB1 ALA A 20 0.066 5.910 -11.202 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -0.393 6.996 -9.869 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.287 5.390 -9.514 1.00 50.00 H new ATOM 309 N LYS A 21 -1.607 2.998 -9.660 1.00 50.00 N ATOM 310 CA LYS A 21 -1.565 1.548 -10.001 1.00 50.00 C ATOM 311 C LYS A 21 -2.339 0.740 -8.957 1.00 50.00 C ATOM 312 O LYS A 21 -2.327 1.050 -7.783 1.00 50.00 O ATOM 313 CB LYS A 21 -0.081 1.181 -9.978 1.00 50.00 C ATOM 314 CG LYS A 21 0.723 2.260 -10.706 1.00 50.00 C ATOM 315 CD LYS A 21 2.054 1.673 -11.182 1.00 50.00 C ATOM 316 CE LYS A 21 3.006 2.808 -11.567 1.00 50.00 C ATOM 317 NZ LYS A 21 3.375 2.537 -12.984 1.00 50.00 N ATOM 0 H LYS A 21 -1.545 3.212 -8.665 1.00 50.00 H new ATOM 0 HA LYS A 21 -2.021 1.334 -10.968 1.00 50.00 H new ATOM 0 HB2 LYS A 21 0.265 1.087 -8.949 1.00 50.00 H new ATOM 0 HB3 LYS A 21 0.073 0.213 -10.456 1.00 50.00 H new ATOM 0 HG2 LYS A 21 0.156 2.639 -11.556 1.00 50.00 H new ATOM 0 HG3 LYS A 21 0.903 3.105 -10.041 1.00 50.00 H new ATOM 0 HD2 LYS A 21 2.497 1.064 -10.394 1.00 50.00 H new ATOM 0 HD3 LYS A 21 1.889 1.017 -12.037 1.00 50.00 H new ATOM 0 HE2 LYS A 21 2.524 3.780 -11.464 1.00 50.00 H new ATOM 0 HE3 LYS A 21 3.887 2.819 -10.925 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 4.027 3.274 -13.320 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 3.838 1.608 -13.051 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 2.518 2.539 -13.573 1.00 50.00 H new ATOM 331 N ASN A 22 -3.014 -0.296 -9.377 1.00 50.00 N ATOM 332 CA ASN A 22 -3.790 -1.121 -8.408 1.00 50.00 C ATOM 333 C ASN A 22 -2.841 -1.842 -7.449 1.00 50.00 C ATOM 334 O ASN A 22 -1.661 -1.960 -7.714 1.00 50.00 O ATOM 335 CB ASN A 22 -4.550 -2.130 -9.268 1.00 50.00 C ATOM 336 CG ASN A 22 -3.569 -3.157 -9.837 1.00 50.00 C ATOM 337 OD1 ASN A 22 -2.370 -2.974 -9.765 1.00 50.00 O ATOM 338 ND2 ASN A 22 -4.031 -4.239 -10.403 1.00 50.00 N ATOM 0 H ASN A 22 -3.061 -0.606 -10.348 1.00 50.00 H new ATOM 0 HA ASN A 22 -4.461 -0.518 -7.797 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -5.312 -2.631 -8.671 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -5.067 -1.617 -10.079 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -3.385 -4.930 -10.785 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -5.037 -4.393 -10.464 1.00 50.00 H new ATOM 345 N PRO A 23 -3.393 -2.303 -6.360 1.00 50.00 N ATOM 346 CA PRO A 23 -2.590 -3.024 -5.346 1.00 50.00 C ATOM 347 C PRO A 23 -2.222 -4.420 -5.855 1.00 50.00 C ATOM 348 O PRO A 23 -3.046 -5.128 -6.400 1.00 50.00 O ATOM 349 CB PRO A 23 -3.525 -3.112 -4.143 1.00 50.00 C ATOM 350 CG PRO A 23 -4.903 -3.021 -4.718 1.00 50.00 C ATOM 351 CD PRO A 23 -4.805 -2.199 -5.977 1.00 50.00 C ATOM 0 HA PRO A 23 -1.649 -2.527 -5.110 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -3.384 -4.047 -3.601 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -3.337 -2.303 -3.437 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -5.296 -4.014 -4.936 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -5.587 -2.557 -4.007 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -5.460 -2.586 -6.758 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -5.096 -1.163 -5.801 1.00 50.00 H new ATOM 359 N ALA A 24 -0.992 -4.821 -5.687 1.00 50.00 N ATOM 360 CA ALA A 24 -0.579 -6.170 -6.167 1.00 50.00 C ATOM 361 C ALA A 24 0.290 -6.865 -5.116 1.00 50.00 C ATOM 362 O ALA A 24 0.900 -6.228 -4.281 1.00 50.00 O ATOM 363 CB ALA A 24 0.227 -5.906 -7.440 1.00 50.00 C ATOM 0 H ALA A 24 -0.256 -4.274 -5.239 1.00 50.00 H new ATOM 0 HA ALA A 24 -1.433 -6.822 -6.351 1.00 50.00 H new ATOM 0 HB1 ALA A 24 0.569 -6.853 -7.857 1.00 50.00 H new ATOM 0 HB2 ALA A 24 -0.401 -5.394 -8.169 1.00 50.00 H new ATOM 0 HB3 ALA A 24 1.089 -5.282 -7.202 1.00 50.00 H new ATOM 369 N ASP A 25 0.349 -8.168 -5.151 1.00 50.00 N ATOM 370 CA ASP A 25 1.178 -8.904 -4.154 1.00 50.00 C ATOM 371 C ASP A 25 2.628 -8.991 -4.639 1.00 50.00 C ATOM 372 O ASP A 25 2.895 -9.048 -5.822 1.00 50.00 O ATOM 373 CB ASP A 25 0.554 -10.297 -4.073 1.00 50.00 C ATOM 374 CG ASP A 25 1.111 -11.035 -2.855 1.00 50.00 C ATOM 375 OD1 ASP A 25 2.144 -11.671 -2.993 1.00 50.00 O ATOM 376 OD2 ASP A 25 0.495 -10.953 -1.804 1.00 50.00 O ATOM 0 H ASP A 25 -0.141 -8.755 -5.826 1.00 50.00 H new ATOM 0 HA ASP A 25 1.196 -8.410 -3.183 1.00 50.00 H new ATOM 0 HB2 ASP A 25 -0.531 -10.218 -3.999 1.00 50.00 H new ATOM 0 HB3 ASP A 25 0.771 -10.858 -4.982 1.00 50.00 H new ATOM 381 N THR A 26 3.567 -9.003 -3.731 1.00 50.00 N ATOM 382 CA THR A 26 4.998 -9.087 -4.142 1.00 50.00 C ATOM 383 C THR A 26 5.624 -10.382 -3.616 1.00 50.00 C ATOM 384 O THR A 26 6.753 -10.707 -3.924 1.00 50.00 O ATOM 385 CB THR A 26 5.669 -7.870 -3.503 1.00 50.00 C ATOM 386 OG1 THR A 26 4.810 -7.324 -2.510 1.00 50.00 O ATOM 387 CG2 THR A 26 5.946 -6.816 -4.577 1.00 50.00 C ATOM 0 H THR A 26 3.405 -8.958 -2.725 1.00 50.00 H new ATOM 0 HA THR A 26 5.115 -9.094 -5.226 1.00 50.00 H new ATOM 0 HB THR A 26 6.610 -8.173 -3.043 1.00 50.00 H new ATOM 0 HG1 THR A 26 5.079 -6.402 -2.315 1.00 50.00 H new ATOM 0 HG21 THR A 26 6.424 -5.949 -4.121 1.00 50.00 H new ATOM 0 HG22 THR A 26 6.605 -7.236 -5.337 1.00 50.00 H new ATOM 0 HG23 THR A 26 5.007 -6.511 -5.039 1.00 50.00 H new ATOM 395 N GLY A 27 4.895 -11.122 -2.826 1.00 50.00 N ATOM 396 CA GLY A 27 5.445 -12.396 -2.280 1.00 50.00 C ATOM 397 C GLY A 27 4.338 -13.150 -1.543 1.00 50.00 C ATOM 398 O GLY A 27 3.452 -13.719 -2.149 1.00 50.00 O ATOM 0 H GLY A 27 3.943 -10.900 -2.535 1.00 50.00 H new ATOM 0 HA2 GLY A 27 5.843 -13.010 -3.088 1.00 50.00 H new ATOM 0 HA3 GLY A 27 6.272 -12.187 -1.602 1.00 50.00 H new ATOM 402 N HIS A 28 4.377 -13.155 -0.238 1.00 50.00 N ATOM 403 CA HIS A 28 3.321 -13.869 0.534 1.00 50.00 C ATOM 404 C HIS A 28 2.797 -12.972 1.659 1.00 50.00 C ATOM 405 O HIS A 28 3.291 -12.997 2.768 1.00 50.00 O ATOM 406 CB HIS A 28 4.015 -15.104 1.109 1.00 50.00 C ATOM 407 CG HIS A 28 3.325 -16.344 0.611 1.00 50.00 C ATOM 408 ND1 HIS A 28 3.875 -17.152 -0.372 1.00 50.00 N ATOM 409 CD2 HIS A 28 2.129 -16.926 0.949 1.00 50.00 C ATOM 410 CE1 HIS A 28 3.018 -18.166 -0.589 1.00 50.00 C ATOM 411 NE2 HIS A 28 1.937 -18.077 0.190 1.00 50.00 N ATOM 0 H HIS A 28 5.093 -12.696 0.326 1.00 50.00 H new ATOM 0 HA HIS A 28 2.465 -14.137 -0.085 1.00 50.00 H new ATOM 0 HB2 HIS A 28 5.064 -15.115 0.814 1.00 50.00 H new ATOM 0 HB3 HIS A 28 3.991 -15.074 2.198 1.00 50.00 H new ATOM 0 HD2 HIS A 28 1.441 -16.548 1.691 1.00 50.00 H new ATOM 0 HE1 HIS A 28 3.184 -18.956 -1.306 1.00 50.00 H new ATOM 0 HE2 HIS A 28 1.142 -18.715 0.222 1.00 50.00 H new ATOM 419 N GLY A 29 1.798 -12.179 1.379 1.00 50.00 N ATOM 420 CA GLY A 29 1.244 -11.280 2.431 1.00 50.00 C ATOM 421 C GLY A 29 1.840 -9.880 2.274 1.00 50.00 C ATOM 422 O GLY A 29 2.020 -9.160 3.237 1.00 50.00 O ATOM 0 H GLY A 29 1.342 -12.115 0.469 1.00 50.00 H new ATOM 0 HA2 GLY A 29 0.158 -11.235 2.351 1.00 50.00 H new ATOM 0 HA3 GLY A 29 1.474 -11.676 3.420 1.00 50.00 H new ATOM 426 N THR A 30 2.152 -9.488 1.068 1.00 50.00 N ATOM 427 CA THR A 30 2.740 -8.133 0.855 1.00 50.00 C ATOM 428 C THR A 30 2.097 -7.456 -0.359 1.00 50.00 C ATOM 429 O THR A 30 2.344 -7.824 -1.490 1.00 50.00 O ATOM 430 CB THR A 30 4.228 -8.384 0.601 1.00 50.00 C ATOM 431 OG1 THR A 30 4.813 -7.216 0.040 1.00 50.00 O ATOM 432 CG2 THR A 30 4.392 -9.555 -0.369 1.00 50.00 C ATOM 0 H THR A 30 2.026 -10.045 0.223 1.00 50.00 H new ATOM 0 HA THR A 30 2.574 -7.475 1.708 1.00 50.00 H new ATOM 0 HB THR A 30 4.723 -8.624 1.542 1.00 50.00 H new ATOM 0 HG1 THR A 30 5.151 -7.418 -0.857 1.00 50.00 H new ATOM 0 HG21 THR A 30 5.452 -9.733 -0.549 1.00 50.00 H new ATOM 0 HG22 THR A 30 3.942 -10.450 0.061 1.00 50.00 H new ATOM 0 HG23 THR A 30 3.899 -9.318 -1.312 1.00 50.00 H new ATOM 440 N VAL A 31 1.277 -6.467 -0.133 1.00 50.00 N ATOM 441 CA VAL A 31 0.623 -5.764 -1.267 1.00 50.00 C ATOM 442 C VAL A 31 1.400 -4.490 -1.616 1.00 50.00 C ATOM 443 O VAL A 31 1.951 -3.834 -0.756 1.00 50.00 O ATOM 444 CB VAL A 31 -0.778 -5.418 -0.765 1.00 50.00 C ATOM 445 CG1 VAL A 31 -1.612 -4.863 -1.921 1.00 50.00 C ATOM 446 CG2 VAL A 31 -1.448 -6.679 -0.213 1.00 50.00 C ATOM 0 H VAL A 31 1.032 -6.116 0.793 1.00 50.00 H new ATOM 0 HA VAL A 31 0.591 -6.375 -2.169 1.00 50.00 H new ATOM 0 HB VAL A 31 -0.706 -4.669 0.024 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -2.611 -4.616 -1.563 1.00 50.00 H new ATOM 0 HG12 VAL A 31 -1.136 -3.965 -2.315 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -1.684 -5.612 -2.710 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -2.448 -6.433 0.145 1.00 50.00 H new ATOM 0 HG22 VAL A 31 -1.519 -7.428 -1.002 1.00 50.00 H new ATOM 0 HG23 VAL A 31 -0.855 -7.075 0.611 1.00 50.00 H new ATOM 456 N VAL A 32 1.450 -4.138 -2.872 1.00 50.00 N ATOM 457 CA VAL A 32 2.196 -2.908 -3.270 1.00 50.00 C ATOM 458 C VAL A 32 1.296 -1.976 -4.087 1.00 50.00 C ATOM 459 O VAL A 32 0.558 -2.408 -4.950 1.00 50.00 O ATOM 460 CB VAL A 32 3.370 -3.399 -4.124 1.00 50.00 C ATOM 461 CG1 VAL A 32 4.659 -3.332 -3.304 1.00 50.00 C ATOM 462 CG2 VAL A 32 3.126 -4.844 -4.571 1.00 50.00 C ATOM 0 H VAL A 32 1.008 -4.646 -3.638 1.00 50.00 H new ATOM 0 HA VAL A 32 2.535 -2.343 -2.402 1.00 50.00 H new ATOM 0 HB VAL A 32 3.460 -2.763 -5.005 1.00 50.00 H new ATOM 0 HG11 VAL A 32 5.495 -3.681 -3.911 1.00 50.00 H new ATOM 0 HG12 VAL A 32 4.840 -2.303 -2.995 1.00 50.00 H new ATOM 0 HG13 VAL A 32 4.562 -3.964 -2.422 1.00 50.00 H new ATOM 0 HG21 VAL A 32 3.966 -5.184 -5.177 1.00 50.00 H new ATOM 0 HG22 VAL A 32 3.029 -5.484 -3.694 1.00 50.00 H new ATOM 0 HG23 VAL A 32 2.210 -4.893 -5.160 1.00 50.00 H new ATOM 472 N ILE A 33 1.360 -0.700 -3.823 1.00 50.00 N ATOM 473 CA ILE A 33 0.518 0.269 -4.583 1.00 50.00 C ATOM 474 C ILE A 33 1.322 1.536 -4.880 1.00 50.00 C ATOM 475 O ILE A 33 2.237 1.884 -4.159 1.00 50.00 O ATOM 476 CB ILE A 33 -0.657 0.587 -3.658 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.695 1.414 -4.421 1.00 50.00 C ATOM 478 CG2 ILE A 33 -0.156 1.386 -2.455 1.00 50.00 C ATOM 479 CD1 ILE A 33 -3.101 0.996 -3.987 1.00 50.00 C ATOM 0 H ILE A 33 1.961 -0.285 -3.111 1.00 50.00 H new ATOM 0 HA ILE A 33 0.184 -0.133 -5.540 1.00 50.00 H new ATOM 0 HB ILE A 33 -1.112 -0.342 -3.314 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -1.544 2.476 -4.227 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -1.575 1.266 -5.494 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.993 1.613 -1.795 1.00 50.00 H new ATOM 0 HG22 ILE A 33 0.585 0.800 -1.912 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.297 2.316 -2.799 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -3.840 1.585 -4.530 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -3.249 -0.062 -4.204 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -3.217 1.166 -2.917 1.00 50.00 H new ATOM 491 N GLU A 34 0.994 2.228 -5.935 1.00 50.00 N ATOM 492 CA GLU A 34 1.748 3.470 -6.273 1.00 50.00 C ATOM 493 C GLU A 34 0.783 4.644 -6.456 1.00 50.00 C ATOM 494 O GLU A 34 0.067 4.721 -7.433 1.00 50.00 O ATOM 495 CB GLU A 34 2.461 3.154 -7.587 1.00 50.00 C ATOM 496 CG GLU A 34 3.791 3.908 -7.642 1.00 50.00 C ATOM 497 CD GLU A 34 4.834 3.056 -8.368 1.00 50.00 C ATOM 498 OE1 GLU A 34 4.440 2.118 -9.041 1.00 50.00 O ATOM 499 OE2 GLU A 34 6.009 3.356 -8.237 1.00 50.00 O ATOM 0 H GLU A 34 0.238 1.989 -6.577 1.00 50.00 H new ATOM 0 HA GLU A 34 2.447 3.755 -5.487 1.00 50.00 H new ATOM 0 HB2 GLU A 34 2.636 2.081 -7.669 1.00 50.00 H new ATOM 0 HB3 GLU A 34 1.834 3.440 -8.431 1.00 50.00 H new ATOM 0 HG2 GLU A 34 3.660 4.859 -8.158 1.00 50.00 H new ATOM 0 HG3 GLU A 34 4.133 4.137 -6.633 1.00 50.00 H new ATOM 506 N LEU A 35 0.765 5.563 -5.529 1.00 50.00 N ATOM 507 CA LEU A 35 -0.149 6.737 -5.657 1.00 50.00 C ATOM 508 C LEU A 35 0.667 8.027 -5.612 1.00 50.00 C ATOM 509 O LEU A 35 1.588 8.156 -4.836 1.00 50.00 O ATOM 510 CB LEU A 35 -1.092 6.660 -4.454 1.00 50.00 C ATOM 511 CG LEU A 35 -1.383 5.199 -4.117 1.00 50.00 C ATOM 512 CD1 LEU A 35 -0.250 4.644 -3.254 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.703 5.108 -3.349 1.00 50.00 C ATOM 0 H LEU A 35 1.343 5.553 -4.689 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.702 6.728 -6.596 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.642 7.158 -3.595 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -2.022 7.184 -4.675 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.458 4.619 -5.037 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.455 3.601 -3.012 1.00 50.00 H new ATOM 0 HD12 LEU A 35 0.691 4.712 -3.801 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -0.177 5.223 -2.333 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.912 4.066 -3.108 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.629 5.686 -2.428 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.510 5.507 -3.964 1.00 50.00 H new ATOM 525 N SER A 36 0.341 8.983 -6.433 1.00 50.00 N ATOM 526 CA SER A 36 1.107 10.251 -6.430 1.00 50.00 C ATOM 527 C SER A 36 0.459 11.250 -5.482 1.00 50.00 C ATOM 528 O SER A 36 -0.739 11.457 -5.512 1.00 50.00 O ATOM 529 CB SER A 36 1.047 10.758 -7.870 1.00 50.00 C ATOM 530 OG SER A 36 0.782 9.667 -8.742 1.00 50.00 O ATOM 0 H SER A 36 -0.424 8.938 -7.106 1.00 50.00 H new ATOM 0 HA SER A 36 2.134 10.113 -6.093 1.00 50.00 H new ATOM 0 HB2 SER A 36 0.269 11.515 -7.969 1.00 50.00 H new ATOM 0 HB3 SER A 36 1.990 11.233 -8.140 1.00 50.00 H new ATOM 0 HG SER A 36 0.741 9.990 -9.666 1.00 50.00 H new ATOM 536 N TYR A 37 1.229 11.873 -4.637 1.00 50.00 N ATOM 537 CA TYR A 37 0.623 12.853 -3.702 1.00 50.00 C ATOM 538 C TYR A 37 0.707 14.260 -4.298 1.00 50.00 C ATOM 539 O TYR A 37 1.710 14.937 -4.180 1.00 50.00 O ATOM 540 CB TYR A 37 1.451 12.749 -2.421 1.00 50.00 C ATOM 541 CG TYR A 37 1.258 13.993 -1.586 1.00 50.00 C ATOM 542 CD1 TYR A 37 -0.027 14.367 -1.173 1.00 50.00 C ATOM 543 CD2 TYR A 37 2.363 14.774 -1.225 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.206 15.522 -0.399 1.00 50.00 C ATOM 545 CE2 TYR A 37 2.185 15.927 -0.452 1.00 50.00 C ATOM 546 CZ TYR A 37 0.900 16.300 -0.039 1.00 50.00 C ATOM 547 OH TYR A 37 0.724 17.438 0.723 1.00 49.57 O ATOM 0 H TYR A 37 2.238 11.748 -4.554 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.431 12.653 -3.511 1.00 50.00 H new ATOM 0 HB2 TYR A 37 1.151 11.868 -1.853 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.506 12.625 -2.667 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -0.880 13.766 -1.451 1.00 50.00 H new ATOM 0 HD2 TYR A 37 3.354 14.486 -1.544 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -1.197 15.811 -0.081 1.00 50.00 H new ATOM 0 HE2 TYR A 37 3.038 16.529 -0.174 1.00 50.00 H new ATOM 0 HH TYR A 37 1.595 17.852 0.898 1.00 49.57 H new ATOM 557 N SER A 38 -0.337 14.702 -4.943 1.00 50.00 N ATOM 558 CA SER A 38 -0.320 16.055 -5.551 1.00 50.00 C ATOM 559 C SER A 38 -0.972 17.061 -4.604 1.00 50.00 C ATOM 560 O SER A 38 -2.045 17.568 -4.864 1.00 50.00 O ATOM 561 CB SER A 38 -1.129 15.926 -6.839 1.00 50.00 C ATOM 562 OG SER A 38 -2.499 15.729 -6.515 1.00 50.00 O ATOM 0 H SER A 38 -1.203 14.179 -5.074 1.00 50.00 H new ATOM 0 HA SER A 38 0.693 16.409 -5.745 1.00 50.00 H new ATOM 0 HB2 SER A 38 -1.012 16.823 -7.447 1.00 50.00 H new ATOM 0 HB3 SER A 38 -0.760 15.089 -7.432 1.00 50.00 H new ATOM 0 HG SER A 38 -2.844 16.523 -6.056 1.00 50.00 H new ATOM 568 N GLY A 39 -0.332 17.352 -3.509 1.00 99.99 N ATOM 569 CA GLY A 39 -0.915 18.322 -2.544 1.00 99.99 C ATOM 570 C GLY A 39 0.033 19.511 -2.387 1.00 99.99 C ATOM 571 O GLY A 39 1.219 19.348 -2.178 1.00 99.99 O ATOM 0 H GLY A 39 0.570 16.960 -3.240 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -1.889 18.663 -2.897 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -1.076 17.841 -1.579 1.00 99.99 H new ATOM 575 N SER A 40 -0.479 20.707 -2.487 1.00 99.99 N ATOM 576 CA SER A 40 0.397 21.905 -2.345 1.00 99.99 C ATOM 577 C SER A 40 0.567 22.264 -0.867 1.00 99.99 C ATOM 578 O SER A 40 0.892 23.384 -0.524 1.00 99.99 O ATOM 579 CB SER A 40 -0.334 23.020 -3.091 1.00 99.99 C ATOM 580 OG SER A 40 0.070 23.015 -4.455 1.00 99.99 O ATOM 0 H SER A 40 -1.464 20.907 -2.661 1.00 99.99 H new ATOM 0 HA SER A 40 1.397 21.737 -2.745 1.00 99.99 H new ATOM 0 HB2 SER A 40 -1.412 22.876 -3.018 1.00 99.99 H new ATOM 0 HB3 SER A 40 -0.110 23.985 -2.637 1.00 99.99 H new ATOM 0 HG SER A 40 -0.398 23.728 -4.937 1.00 99.99 H new ATOM 586 N ASP A 41 0.353 21.323 0.011 1.00 99.99 N ATOM 587 CA ASP A 41 0.505 21.610 1.466 1.00 99.99 C ATOM 588 C ASP A 41 1.891 21.167 1.945 1.00 99.99 C ATOM 589 O ASP A 41 2.245 21.341 3.094 1.00 99.99 O ATOM 590 CB ASP A 41 -0.588 20.788 2.149 1.00 99.99 C ATOM 591 CG ASP A 41 -1.801 21.679 2.424 1.00 99.99 C ATOM 592 OD1 ASP A 41 -2.571 21.899 1.503 1.00 99.99 O ATOM 593 OD2 ASP A 41 -1.939 22.127 3.550 1.00 99.99 O ATOM 0 H ASP A 41 0.079 20.367 -0.216 1.00 99.99 H new ATOM 0 HA ASP A 41 0.413 22.672 1.692 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -0.876 19.949 1.516 1.00 99.99 H new ATOM 0 HB3 ASP A 41 -0.213 20.369 3.082 1.00 99.99 H new ATOM 598 N GLY A 42 2.676 20.596 1.073 1.00 99.99 N ATOM 599 CA GLY A 42 4.036 20.143 1.478 1.00 99.99 C ATOM 600 C GLY A 42 3.955 18.728 2.055 1.00 99.99 C ATOM 601 O GLY A 42 3.008 18.009 1.804 1.00 99.99 O ATOM 0 H GLY A 42 2.434 20.424 0.097 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.706 20.158 0.619 1.00 99.99 H new ATOM 0 HA3 GLY A 42 4.452 20.826 2.219 1.00 99.99 H new ATOM 605 N PRO A 43 4.958 18.380 2.815 1.00 99.99 N ATOM 606 CA PRO A 43 5.009 17.036 3.441 1.00 99.99 C ATOM 607 C PRO A 43 3.994 16.938 4.585 1.00 99.99 C ATOM 608 O PRO A 43 3.694 17.911 5.247 1.00 99.99 O ATOM 609 CB PRO A 43 6.439 16.940 3.966 1.00 99.99 C ATOM 610 CG PRO A 43 6.877 18.355 4.160 1.00 99.99 C ATOM 611 CD PRO A 43 6.127 19.196 3.159 1.00 99.99 C ATOM 0 HA PRO A 43 4.761 16.231 2.750 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.479 16.383 4.902 1.00 99.99 H new ATOM 0 HB3 PRO A 43 7.085 16.421 3.258 1.00 99.99 H new ATOM 0 HG2 PRO A 43 6.666 18.687 5.176 1.00 99.99 H new ATOM 0 HG3 PRO A 43 7.953 18.448 4.011 1.00 99.99 H new ATOM 0 HD2 PRO A 43 5.833 20.155 3.585 1.00 99.99 H new ATOM 0 HD3 PRO A 43 6.737 19.410 2.281 1.00 99.99 H new ATOM 619 N CYS A 44 3.458 15.770 4.817 1.00 50.00 N ATOM 620 CA CYS A 44 2.455 15.608 5.911 1.00 50.00 C ATOM 621 C CYS A 44 2.158 14.123 6.138 1.00 50.00 C ATOM 622 O CYS A 44 2.417 13.294 5.288 1.00 50.00 O ATOM 623 CB CYS A 44 1.205 16.321 5.395 1.00 50.00 C ATOM 624 SG CYS A 44 0.432 17.268 6.733 1.00 50.00 S ATOM 0 H CYS A 44 3.671 14.919 4.296 1.00 50.00 H new ATOM 0 HA CYS A 44 2.805 16.014 6.860 1.00 50.00 H new ATOM 0 HB2 CYS A 44 1.470 16.987 4.573 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.498 15.592 4.999 1.00 50.00 H new ATOM 629 N LYS A 45 1.606 13.778 7.271 1.00 50.00 N ATOM 630 CA LYS A 45 1.284 12.345 7.533 1.00 50.00 C ATOM 631 C LYS A 45 0.049 11.941 6.724 1.00 50.00 C ATOM 632 O LYS A 45 -0.972 12.598 6.769 1.00 50.00 O ATOM 633 CB LYS A 45 0.990 12.260 9.032 1.00 50.00 C ATOM 634 CG LYS A 45 2.037 13.059 9.814 1.00 50.00 C ATOM 635 CD LYS A 45 3.441 12.637 9.376 1.00 50.00 C ATOM 636 CE LYS A 45 4.236 13.872 8.947 1.00 50.00 C ATOM 637 NZ LYS A 45 5.400 13.922 9.874 1.00 50.00 N ATOM 0 H LYS A 45 1.365 14.423 8.023 1.00 50.00 H new ATOM 0 HA LYS A 45 2.098 11.679 7.247 1.00 50.00 H new ATOM 0 HB2 LYS A 45 -0.007 12.650 9.239 1.00 50.00 H new ATOM 0 HB3 LYS A 45 0.998 11.219 9.355 1.00 50.00 H new ATOM 0 HG2 LYS A 45 1.897 14.126 9.642 1.00 50.00 H new ATOM 0 HG3 LYS A 45 1.913 12.890 10.884 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.951 12.129 10.195 1.00 50.00 H new ATOM 0 HD3 LYS A 45 3.378 11.928 8.551 1.00 50.00 H new ATOM 0 HE2 LYS A 45 4.561 13.792 7.910 1.00 50.00 H new ATOM 0 HE3 LYS A 45 3.632 14.776 9.023 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 5.993 14.744 9.642 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 5.060 14.005 10.853 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 5.960 13.052 9.775 1.00 50.00 H new ATOM 651 N ILE A 46 0.131 10.873 5.980 1.00 50.00 N ATOM 652 CA ILE A 46 -1.043 10.446 5.166 1.00 50.00 C ATOM 653 C ILE A 46 -1.964 9.538 5.987 1.00 50.00 C ATOM 654 O ILE A 46 -1.589 8.441 6.355 1.00 50.00 O ATOM 655 CB ILE A 46 -0.458 9.684 3.976 1.00 50.00 C ATOM 656 CG1 ILE A 46 0.781 10.416 3.453 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.504 9.609 2.860 1.00 50.00 C ATOM 658 CD1 ILE A 46 1.419 9.599 2.328 1.00 50.00 C ATOM 0 H ILE A 46 0.956 10.279 5.900 1.00 50.00 H new ATOM 0 HA ILE A 46 -1.644 11.297 4.845 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.180 8.679 4.293 1.00 50.00 H new ATOM 0 HG12 ILE A 46 0.505 11.405 3.087 1.00 50.00 H new ATOM 0 HG13 ILE A 46 1.497 10.564 4.261 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -1.091 9.066 2.010 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.390 9.090 3.226 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -1.777 10.617 2.549 1.00 50.00 H new ATOM 0 HD11 ILE A 46 2.301 10.120 1.955 1.00 50.00 H new ATOM 0 HD12 ILE A 46 1.710 8.620 2.709 1.00 50.00 H new ATOM 0 HD13 ILE A 46 0.702 9.474 1.517 1.00 50.00 H new ATOM 670 N PRO A 47 -3.145 10.030 6.242 1.00 50.00 N ATOM 671 CA PRO A 47 -4.141 9.261 7.023 1.00 50.00 C ATOM 672 C PRO A 47 -4.779 8.172 6.151 1.00 50.00 C ATOM 673 O PRO A 47 -5.649 8.439 5.345 1.00 50.00 O ATOM 674 CB PRO A 47 -5.173 10.313 7.417 1.00 50.00 C ATOM 675 CG PRO A 47 -5.058 11.389 6.381 1.00 50.00 C ATOM 676 CD PRO A 47 -3.655 11.343 5.830 1.00 50.00 C ATOM 0 HA PRO A 47 -3.710 8.749 7.883 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -6.178 9.891 7.435 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -4.974 10.705 8.414 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -5.787 11.234 5.586 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -5.266 12.366 6.818 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -3.650 11.449 4.745 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -3.043 12.151 6.232 1.00 50.00 H new ATOM 684 N ILE A 48 -4.353 6.948 6.306 1.00 50.00 N ATOM 685 CA ILE A 48 -4.936 5.847 5.487 1.00 50.00 C ATOM 686 C ILE A 48 -5.375 4.690 6.388 1.00 50.00 C ATOM 687 O ILE A 48 -4.864 4.509 7.476 1.00 50.00 O ATOM 688 CB ILE A 48 -3.808 5.393 4.561 1.00 50.00 C ATOM 689 CG1 ILE A 48 -3.498 6.500 3.552 1.00 50.00 C ATOM 690 CG2 ILE A 48 -4.241 4.132 3.813 1.00 50.00 C ATOM 691 CD1 ILE A 48 -2.068 6.996 3.766 1.00 50.00 C ATOM 0 H ILE A 48 -3.627 6.663 6.964 1.00 50.00 H new ATOM 0 HA ILE A 48 -5.815 6.175 4.932 1.00 50.00 H new ATOM 0 HB ILE A 48 -2.917 5.180 5.152 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -3.616 6.124 2.536 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -4.202 7.324 3.671 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -3.437 3.807 3.152 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -4.463 3.342 4.530 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.132 4.347 3.223 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -1.845 7.785 3.048 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -1.966 7.387 4.778 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -1.371 6.170 3.625 1.00 50.00 H new ATOM 703 N VAL A 49 -6.315 3.904 5.942 1.00 50.00 N ATOM 704 CA VAL A 49 -6.781 2.755 6.769 1.00 50.00 C ATOM 705 C VAL A 49 -6.800 1.480 5.922 1.00 50.00 C ATOM 706 O VAL A 49 -7.085 1.513 4.741 1.00 50.00 O ATOM 707 CB VAL A 49 -8.195 3.132 7.212 1.00 50.00 C ATOM 708 CG1 VAL A 49 -9.105 3.241 5.989 1.00 50.00 C ATOM 709 CG2 VAL A 49 -8.735 2.055 8.156 1.00 50.00 C ATOM 0 H VAL A 49 -6.781 4.007 5.041 1.00 50.00 H new ATOM 0 HA VAL A 49 -6.130 2.563 7.622 1.00 50.00 H new ATOM 0 HB VAL A 49 -8.169 4.091 7.729 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -10.112 3.510 6.308 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -8.720 4.008 5.317 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -9.132 2.283 5.469 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -9.743 2.322 8.473 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -8.759 1.096 7.638 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -8.088 1.979 9.030 1.00 50.00 H new ATOM 719 N SER A 50 -6.498 0.356 6.512 1.00 50.00 N ATOM 720 CA SER A 50 -6.499 -0.914 5.734 1.00 50.00 C ATOM 721 C SER A 50 -7.456 -1.917 6.377 1.00 50.00 C ATOM 722 O SER A 50 -7.215 -2.413 7.460 1.00 50.00 O ATOM 723 CB SER A 50 -5.060 -1.423 5.805 1.00 50.00 C ATOM 724 OG SER A 50 -4.194 -0.464 5.210 1.00 50.00 O ATOM 0 H SER A 50 -6.251 0.263 7.497 1.00 50.00 H new ATOM 0 HA SER A 50 -6.828 -0.772 4.705 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.773 -1.595 6.842 1.00 50.00 H new ATOM 0 HB3 SER A 50 -4.974 -2.379 5.288 1.00 50.00 H new ATOM 0 HG SER A 50 -3.269 -0.786 5.255 1.00 50.00 H new ATOM 730 N VAL A 51 -8.541 -2.217 5.723 1.00 50.00 N ATOM 731 CA VAL A 51 -9.511 -3.184 6.307 1.00 50.00 C ATOM 732 C VAL A 51 -9.988 -4.176 5.243 1.00 50.00 C ATOM 733 O VAL A 51 -9.865 -3.940 4.058 1.00 50.00 O ATOM 734 CB VAL A 51 -10.676 -2.327 6.800 1.00 50.00 C ATOM 735 CG1 VAL A 51 -10.184 -1.372 7.891 1.00 50.00 C ATOM 736 CG2 VAL A 51 -11.241 -1.515 5.632 1.00 50.00 C ATOM 0 H VAL A 51 -8.799 -1.836 4.812 1.00 50.00 H new ATOM 0 HA VAL A 51 -9.068 -3.774 7.109 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.454 -2.973 7.206 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -11.016 -0.761 8.242 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -9.780 -1.948 8.724 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -9.405 -0.726 7.485 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -12.072 -0.903 5.983 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -10.461 -0.870 5.227 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -11.592 -2.193 4.854 1.00 50.00 H new ATOM 746 N ALA A 52 -10.532 -5.282 5.663 1.00 50.00 N ATOM 747 CA ALA A 52 -11.024 -6.297 4.688 1.00 50.00 C ATOM 748 C ALA A 52 -12.038 -5.661 3.733 1.00 50.00 C ATOM 749 O ALA A 52 -12.543 -4.584 3.975 1.00 50.00 O ATOM 750 CB ALA A 52 -11.693 -7.375 5.542 1.00 50.00 C ATOM 0 H ALA A 52 -10.658 -5.529 6.644 1.00 50.00 H new ATOM 0 HA ALA A 52 -10.221 -6.705 4.074 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -12.083 -8.161 4.896 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -10.962 -7.800 6.230 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -12.512 -6.933 6.110 1.00 50.00 H new ATOM 756 N SER A 53 -12.328 -6.314 2.641 1.00 50.00 N ATOM 757 CA SER A 53 -13.301 -5.743 1.667 1.00 50.00 C ATOM 758 C SER A 53 -14.666 -5.549 2.332 1.00 50.00 C ATOM 759 O SER A 53 -15.320 -6.500 2.714 1.00 50.00 O ATOM 760 CB SER A 53 -13.393 -6.778 0.548 1.00 50.00 C ATOM 761 OG SER A 53 -12.451 -6.456 -0.467 1.00 50.00 O ATOM 0 H SER A 53 -11.933 -7.218 2.381 1.00 50.00 H new ATOM 0 HA SER A 53 -12.988 -4.767 1.296 1.00 50.00 H new ATOM 0 HB2 SER A 53 -13.195 -7.775 0.942 1.00 50.00 H new ATOM 0 HB3 SER A 53 -14.401 -6.794 0.133 1.00 50.00 H new ATOM 0 HG SER A 53 -12.483 -5.494 -0.650 1.00 50.00 H new ATOM 767 N LEU A 54 -15.098 -4.322 2.469 1.00 50.00 N ATOM 768 CA LEU A 54 -16.426 -4.065 3.106 1.00 50.00 C ATOM 769 C LEU A 54 -16.314 -4.147 4.632 1.00 50.00 C ATOM 770 O LEU A 54 -17.254 -4.503 5.315 1.00 50.00 O ATOM 771 CB LEU A 54 -17.357 -5.157 2.574 1.00 50.00 C ATOM 772 CG LEU A 54 -18.726 -4.554 2.261 1.00 50.00 C ATOM 773 CD1 LEU A 54 -18.805 -4.208 0.772 1.00 50.00 C ATOM 774 CD2 LEU A 54 -19.818 -5.568 2.605 1.00 50.00 C ATOM 0 H LEU A 54 -14.591 -3.489 2.169 1.00 50.00 H new ATOM 0 HA LEU A 54 -16.800 -3.069 2.870 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -16.932 -5.606 1.676 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -17.459 -5.953 3.311 1.00 50.00 H new ATOM 0 HG LEU A 54 -18.868 -3.649 2.852 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -19.782 -3.778 0.550 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -18.026 -3.487 0.524 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -18.664 -5.112 0.180 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -20.795 -5.140 2.382 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -19.675 -6.472 2.013 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -19.763 -5.816 3.665 1.00 50.00 H new ATOM 786 N ASN A 55 -15.175 -3.808 5.171 1.00 50.00 N ATOM 787 CA ASN A 55 -15.007 -3.853 6.653 1.00 50.00 C ATOM 788 C ASN A 55 -14.598 -2.477 7.183 1.00 50.00 C ATOM 789 O ASN A 55 -13.431 -2.194 7.367 1.00 50.00 O ATOM 790 CB ASN A 55 -13.895 -4.873 6.896 1.00 50.00 C ATOM 791 CG ASN A 55 -14.506 -6.262 7.085 1.00 50.00 C ATOM 792 OD1 ASN A 55 -15.643 -6.494 6.724 1.00 50.00 O ATOM 793 ND2 ASN A 55 -13.795 -7.205 7.642 1.00 50.00 N ATOM 0 H ASN A 55 -14.353 -3.502 4.650 1.00 50.00 H new ATOM 0 HA ASN A 55 -15.930 -4.127 7.163 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -13.204 -4.880 6.053 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -13.319 -4.595 7.778 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -14.194 -8.134 7.773 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -12.841 -7.012 7.946 1.00 50.00 H new ATOM 800 N ASP A 56 -15.549 -1.619 7.433 1.00 50.00 N ATOM 801 CA ASP A 56 -15.212 -0.264 7.955 1.00 50.00 C ATOM 802 C ASP A 56 -15.467 -0.204 9.463 1.00 50.00 C ATOM 803 O ASP A 56 -15.558 0.858 10.045 1.00 50.00 O ATOM 804 CB ASP A 56 -16.149 0.691 7.213 1.00 50.00 C ATOM 805 CG ASP A 56 -15.322 1.726 6.447 1.00 50.00 C ATOM 806 OD1 ASP A 56 -14.217 2.009 6.879 1.00 50.00 O ATOM 807 OD2 ASP A 56 -15.808 2.216 5.441 1.00 50.00 O ATOM 0 H ASP A 56 -16.544 -1.797 7.298 1.00 50.00 H new ATOM 0 HA ASP A 56 -14.164 -0.008 7.799 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -16.782 0.133 6.523 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -16.811 1.190 7.920 1.00 50.00 H new ATOM 812 N MET A 57 -15.587 -1.338 10.098 1.00 50.00 N ATOM 813 CA MET A 57 -15.838 -1.346 11.569 1.00 50.00 C ATOM 814 C MET A 57 -14.792 -2.207 12.283 1.00 50.00 C ATOM 815 O MET A 57 -14.697 -2.207 13.494 1.00 50.00 O ATOM 816 CB MET A 57 -17.232 -1.954 11.726 1.00 50.00 C ATOM 817 CG MET A 57 -17.686 -1.824 13.180 1.00 50.00 C ATOM 818 SD MET A 57 -19.490 -1.950 13.263 1.00 50.00 S ATOM 819 CE MET A 57 -19.568 -3.386 14.362 1.00 50.00 C ATOM 0 H MET A 57 -15.522 -2.258 9.663 1.00 50.00 H new ATOM 0 HA MET A 57 -15.775 -0.349 12.004 1.00 50.00 H new ATOM 0 HB2 MET A 57 -17.937 -1.447 11.067 1.00 50.00 H new ATOM 0 HB3 MET A 57 -17.218 -3.003 11.431 1.00 50.00 H new ATOM 0 HG2 MET A 57 -17.228 -2.605 13.786 1.00 50.00 H new ATOM 0 HG3 MET A 57 -17.358 -0.869 13.590 1.00 50.00 H new ATOM 0 HE1 MET A 57 -20.610 -3.643 14.551 1.00 50.00 H new ATOM 0 HE2 MET A 57 -19.065 -4.231 13.892 1.00 50.00 H new ATOM 0 HE3 MET A 57 -19.076 -3.149 15.305 1.00 50.00 H new ATOM 829 N THR A 58 -14.008 -2.942 11.543 1.00 50.00 N ATOM 830 CA THR A 58 -12.970 -3.802 12.183 1.00 50.00 C ATOM 831 C THR A 58 -11.627 -3.630 11.469 1.00 50.00 C ATOM 832 O THR A 58 -11.493 -3.967 10.309 1.00 50.00 O ATOM 833 CB THR A 58 -13.484 -5.234 12.017 1.00 50.00 C ATOM 834 OG1 THR A 58 -14.877 -5.205 11.734 1.00 50.00 O ATOM 835 CG2 THR A 58 -13.239 -6.020 13.306 1.00 50.00 C ATOM 0 H THR A 58 -14.040 -2.985 10.524 1.00 50.00 H new ATOM 0 HA THR A 58 -12.809 -3.544 13.230 1.00 50.00 H new ATOM 0 HB THR A 58 -12.955 -5.717 11.195 1.00 50.00 H new ATOM 0 HG1 THR A 58 -15.208 -6.121 11.626 1.00 50.00 H new ATOM 0 HG21 THR A 58 -13.606 -7.039 13.186 1.00 50.00 H new ATOM 0 HG22 THR A 58 -12.171 -6.042 13.521 1.00 50.00 H new ATOM 0 HG23 THR A 58 -13.766 -5.540 14.131 1.00 50.00 H new ATOM 843 N PRO A 59 -10.674 -3.108 12.191 1.00 50.00 N ATOM 844 CA PRO A 59 -9.322 -2.887 11.622 1.00 50.00 C ATOM 845 C PRO A 59 -8.592 -4.221 11.452 1.00 50.00 C ATOM 846 O PRO A 59 -8.487 -5.005 12.374 1.00 50.00 O ATOM 847 CB PRO A 59 -8.631 -2.017 12.669 1.00 50.00 C ATOM 848 CG PRO A 59 -9.344 -2.312 13.950 1.00 50.00 C ATOM 849 CD PRO A 59 -10.762 -2.679 13.592 1.00 50.00 C ATOM 0 HA PRO A 59 -9.341 -2.423 10.636 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -7.570 -2.257 12.744 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -8.702 -0.960 12.413 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -8.857 -3.129 14.483 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -9.325 -1.445 14.610 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -11.141 -3.477 14.231 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -11.436 -1.830 13.708 1.00 50.00 H new ATOM 857 N VAL A 60 -8.084 -4.483 10.280 1.00 50.00 N ATOM 858 CA VAL A 60 -7.358 -5.768 10.053 1.00 50.00 C ATOM 859 C VAL A 60 -6.244 -5.573 9.025 1.00 50.00 C ATOM 860 O VAL A 60 -5.198 -6.186 9.101 1.00 50.00 O ATOM 861 CB VAL A 60 -8.413 -6.746 9.531 1.00 50.00 C ATOM 862 CG1 VAL A 60 -9.215 -7.305 10.706 1.00 50.00 C ATOM 863 CG2 VAL A 60 -9.358 -6.020 8.572 1.00 50.00 C ATOM 0 H VAL A 60 -8.139 -3.866 9.470 1.00 50.00 H new ATOM 0 HA VAL A 60 -6.886 -6.137 10.964 1.00 50.00 H new ATOM 0 HB VAL A 60 -7.919 -7.562 9.004 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -9.967 -8.002 10.335 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -8.544 -7.825 11.390 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -9.707 -6.487 11.233 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -10.108 -6.719 8.202 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -9.852 -5.202 9.097 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -8.789 -5.621 7.733 1.00 50.00 H new ATOM 873 N GLY A 61 -6.459 -4.717 8.071 1.00 50.00 N ATOM 874 CA GLY A 61 -5.413 -4.468 7.041 1.00 50.00 C ATOM 875 C GLY A 61 -4.264 -3.687 7.683 1.00 50.00 C ATOM 876 O GLY A 61 -4.472 -2.885 8.570 1.00 50.00 O ATOM 0 H GLY A 61 -7.316 -4.176 7.958 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -5.048 -5.413 6.638 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.832 -3.906 6.206 1.00 50.00 H new ATOM 880 N ARG A 62 -3.053 -3.922 7.258 1.00 50.00 N ATOM 881 CA ARG A 62 -1.903 -3.193 7.869 1.00 50.00 C ATOM 882 C ARG A 62 -0.896 -2.773 6.796 1.00 50.00 C ATOM 883 O ARG A 62 -0.832 -3.352 5.734 1.00 50.00 O ATOM 884 CB ARG A 62 -1.271 -4.196 8.835 1.00 50.00 C ATOM 885 CG ARG A 62 -2.369 -4.884 9.647 1.00 50.00 C ATOM 886 CD ARG A 62 -1.813 -5.300 11.012 1.00 50.00 C ATOM 887 NE ARG A 62 -2.439 -6.620 11.297 1.00 50.00 N ATOM 888 CZ ARG A 62 -1.838 -7.472 12.082 1.00 50.00 C ATOM 889 NH1 ARG A 62 -1.137 -7.042 13.096 1.00 50.00 N ATOM 890 NH2 ARG A 62 -1.936 -8.753 11.853 1.00 50.00 N ATOM 0 H ARG A 62 -2.810 -4.582 6.519 1.00 50.00 H new ATOM 0 HA ARG A 62 -2.219 -2.279 8.372 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.695 -4.937 8.281 1.00 50.00 H new ATOM 0 HB3 ARG A 62 -0.576 -3.686 9.502 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -3.215 -4.210 9.778 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -2.738 -5.759 9.111 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -0.726 -5.376 10.989 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -2.066 -4.569 11.780 1.00 50.00 H new ATOM 0 HE ARG A 62 -3.338 -6.859 10.879 1.00 50.00 H new ATOM 0 HH11 ARG A 62 -1.059 -6.041 13.274 1.00 50.00 H new ATOM 0 HH12 ARG A 62 -0.667 -7.707 13.710 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -2.483 -9.089 11.060 1.00 50.00 H new ATOM 0 HH22 ARG A 62 -1.466 -9.418 12.467 1.00 50.00 H new ATOM 904 N LEU A 63 -0.107 -1.769 7.069 1.00 50.00 N ATOM 905 CA LEU A 63 0.898 -1.317 6.065 1.00 50.00 C ATOM 906 C LEU A 63 2.203 -2.098 6.243 1.00 50.00 C ATOM 907 O LEU A 63 2.620 -2.383 7.348 1.00 50.00 O ATOM 908 CB LEU A 63 1.117 0.167 6.362 1.00 50.00 C ATOM 909 CG LEU A 63 -0.145 0.952 6.001 1.00 50.00 C ATOM 910 CD1 LEU A 63 -0.332 2.105 6.990 1.00 50.00 C ATOM 911 CD2 LEU A 63 -0.005 1.514 4.585 1.00 50.00 C ATOM 0 H LEU A 63 -0.115 -1.243 7.943 1.00 50.00 H new ATOM 0 HA LEU A 63 0.563 -1.481 5.041 1.00 50.00 H new ATOM 0 HB2 LEU A 63 1.355 0.306 7.416 1.00 50.00 H new ATOM 0 HB3 LEU A 63 1.967 0.541 5.791 1.00 50.00 H new ATOM 0 HG LEU A 63 -1.010 0.291 6.048 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -1.232 2.664 6.732 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -0.430 1.706 8.000 1.00 50.00 H new ATOM 0 HD13 LEU A 63 0.532 2.768 6.944 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -0.903 2.074 4.325 1.00 50.00 H new ATOM 0 HD22 LEU A 63 0.860 2.175 4.540 1.00 50.00 H new ATOM 0 HD23 LEU A 63 0.128 0.694 3.880 1.00 50.00 H new ATOM 923 N VAL A 64 2.852 -2.447 5.166 1.00 50.00 N ATOM 924 CA VAL A 64 4.128 -3.211 5.281 1.00 50.00 C ATOM 925 C VAL A 64 5.303 -2.251 5.479 1.00 50.00 C ATOM 926 O VAL A 64 6.397 -2.656 5.822 1.00 50.00 O ATOM 927 CB VAL A 64 4.264 -3.960 3.955 1.00 50.00 C ATOM 928 CG1 VAL A 64 5.604 -4.696 3.919 1.00 50.00 C ATOM 929 CG2 VAL A 64 3.125 -4.973 3.825 1.00 50.00 C ATOM 0 H VAL A 64 2.555 -2.237 4.213 1.00 50.00 H new ATOM 0 HA VAL A 64 4.127 -3.890 6.133 1.00 50.00 H new ATOM 0 HB VAL A 64 4.217 -3.249 3.130 1.00 50.00 H new ATOM 0 HG11 VAL A 64 5.701 -5.230 2.974 1.00 50.00 H new ATOM 0 HG12 VAL A 64 6.417 -3.976 4.014 1.00 50.00 H new ATOM 0 HG13 VAL A 64 5.651 -5.407 4.744 1.00 50.00 H new ATOM 0 HG21 VAL A 64 3.220 -5.508 2.880 1.00 50.00 H new ATOM 0 HG22 VAL A 64 3.174 -5.683 4.651 1.00 50.00 H new ATOM 0 HG23 VAL A 64 2.169 -4.451 3.851 1.00 50.00 H new ATOM 939 N THR A 65 5.088 -0.982 5.265 1.00 50.00 N ATOM 940 CA THR A 65 6.195 0.002 5.442 1.00 50.00 C ATOM 941 C THR A 65 5.915 0.899 6.650 1.00 50.00 C ATOM 942 O THR A 65 4.874 0.816 7.270 1.00 50.00 O ATOM 943 CB THR A 65 6.203 0.828 4.154 1.00 50.00 C ATOM 944 OG1 THR A 65 5.070 0.491 3.366 1.00 50.00 O ATOM 945 CG2 THR A 65 7.481 0.534 3.366 1.00 50.00 C ATOM 0 H THR A 65 4.195 -0.584 4.975 1.00 50.00 H new ATOM 0 HA THR A 65 7.154 -0.484 5.620 1.00 50.00 H new ATOM 0 HB THR A 65 6.167 1.888 4.403 1.00 50.00 H new ATOM 0 HG1 THR A 65 4.892 1.211 2.725 1.00 50.00 H new ATOM 0 HG21 THR A 65 7.486 1.123 2.449 1.00 50.00 H new ATOM 0 HG22 THR A 65 8.349 0.796 3.970 1.00 50.00 H new ATOM 0 HG23 THR A 65 7.519 -0.526 3.117 1.00 50.00 H new ATOM 953 N VAL A 66 6.837 1.758 6.986 1.00 50.00 N ATOM 954 CA VAL A 66 6.626 2.662 8.147 1.00 50.00 C ATOM 955 C VAL A 66 5.364 3.502 7.936 1.00 50.00 C ATOM 956 O VAL A 66 4.728 3.433 6.903 1.00 50.00 O ATOM 957 CB VAL A 66 7.868 3.548 8.169 1.00 50.00 C ATOM 958 CG1 VAL A 66 9.096 2.701 8.505 1.00 50.00 C ATOM 959 CG2 VAL A 66 8.056 4.192 6.792 1.00 50.00 C ATOM 0 H VAL A 66 7.729 1.872 6.504 1.00 50.00 H new ATOM 0 HA VAL A 66 6.490 2.122 9.084 1.00 50.00 H new ATOM 0 HB VAL A 66 7.746 4.325 8.924 1.00 50.00 H new ATOM 0 HG11 VAL A 66 9.982 3.335 8.520 1.00 50.00 H new ATOM 0 HG12 VAL A 66 8.963 2.240 9.484 1.00 50.00 H new ATOM 0 HG13 VAL A 66 9.219 1.924 7.751 1.00 50.00 H new ATOM 0 HG21 VAL A 66 8.943 4.826 6.805 1.00 50.00 H new ATOM 0 HG22 VAL A 66 8.178 3.413 6.039 1.00 50.00 H new ATOM 0 HG23 VAL A 66 7.182 4.796 6.551 1.00 50.00 H new ATOM 969 N ASN A 67 4.996 4.295 8.905 1.00 50.00 N ATOM 970 CA ASN A 67 3.775 5.137 8.749 1.00 50.00 C ATOM 971 C ASN A 67 3.789 5.832 7.384 1.00 50.00 C ATOM 972 O ASN A 67 4.826 6.249 6.910 1.00 50.00 O ATOM 973 CB ASN A 67 3.855 6.161 9.883 1.00 50.00 C ATOM 974 CG ASN A 67 3.541 5.473 11.213 1.00 50.00 C ATOM 975 OD1 ASN A 67 3.208 4.306 11.244 1.00 50.00 O ATOM 976 ND2 ASN A 67 3.636 6.153 12.324 1.00 50.00 N ATOM 0 H ASN A 67 5.485 4.397 9.794 1.00 50.00 H new ATOM 0 HA ASN A 67 2.855 4.554 8.796 1.00 50.00 H new ATOM 0 HB2 ASN A 67 4.850 6.605 9.917 1.00 50.00 H new ATOM 0 HB3 ASN A 67 3.149 6.972 9.705 1.00 50.00 H new ATOM 0 HD21 ASN A 67 3.431 5.703 13.216 1.00 50.00 H new ATOM 0 HD22 ASN A 67 3.916 7.134 12.299 1.00 50.00 H new ATOM 983 N PRO A 68 2.629 5.924 6.793 1.00 50.00 N ATOM 984 CA PRO A 68 2.499 6.565 5.463 1.00 50.00 C ATOM 985 C PRO A 68 2.557 8.092 5.584 1.00 50.00 C ATOM 986 O PRO A 68 1.572 8.775 5.389 1.00 50.00 O ATOM 987 CB PRO A 68 1.121 6.118 4.986 1.00 50.00 C ATOM 988 CG PRO A 68 0.349 5.821 6.234 1.00 50.00 C ATOM 989 CD PRO A 68 1.343 5.439 7.304 1.00 50.00 C ATOM 0 HA PRO A 68 3.301 6.286 4.779 1.00 50.00 H new ATOM 0 HB2 PRO A 68 0.636 6.898 4.399 1.00 50.00 H new ATOM 0 HB3 PRO A 68 1.192 5.237 4.348 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -0.230 6.691 6.542 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -0.360 5.011 6.062 1.00 50.00 H new ATOM 0 HD2 PRO A 68 1.095 5.900 8.260 1.00 50.00 H new ATOM 0 HD3 PRO A 68 1.360 4.361 7.465 1.00 50.00 H new ATOM 997 N PHE A 69 3.701 8.635 5.902 1.00 50.00 N ATOM 998 CA PHE A 69 3.813 10.111 6.028 1.00 50.00 C ATOM 999 C PHE A 69 4.653 10.679 4.881 1.00 50.00 C ATOM 1000 O PHE A 69 5.741 10.215 4.607 1.00 50.00 O ATOM 1001 CB PHE A 69 4.514 10.339 7.365 1.00 50.00 C ATOM 1002 CG PHE A 69 5.677 9.387 7.506 1.00 50.00 C ATOM 1003 CD1 PHE A 69 6.887 9.656 6.856 1.00 50.00 C ATOM 1004 CD2 PHE A 69 5.545 8.238 8.290 1.00 50.00 C ATOM 1005 CE1 PHE A 69 7.966 8.774 6.991 1.00 50.00 C ATOM 1006 CE2 PHE A 69 6.623 7.354 8.425 1.00 50.00 C ATOM 1007 CZ PHE A 69 7.833 7.622 7.775 1.00 50.00 C ATOM 0 H PHE A 69 4.562 8.117 6.080 1.00 50.00 H new ATOM 0 HA PHE A 69 2.842 10.604 5.985 1.00 50.00 H new ATOM 0 HB2 PHE A 69 4.866 11.369 7.430 1.00 50.00 H new ATOM 0 HB3 PHE A 69 3.810 10.191 8.184 1.00 50.00 H new ATOM 0 HD1 PHE A 69 6.988 10.544 6.250 1.00 50.00 H new ATOM 0 HD2 PHE A 69 4.611 8.031 8.792 1.00 50.00 H new ATOM 0 HE1 PHE A 69 8.900 8.982 6.491 1.00 50.00 H new ATOM 0 HE2 PHE A 69 6.520 6.466 9.031 1.00 50.00 H new ATOM 0 HZ PHE A 69 8.664 6.940 7.878 1.00 50.00 H new ATOM 1017 N VAL A 70 4.157 11.682 4.209 1.00 50.00 N ATOM 1018 CA VAL A 70 4.931 12.278 3.084 1.00 50.00 C ATOM 1019 C VAL A 70 5.904 13.334 3.616 1.00 50.00 C ATOM 1020 O VAL A 70 5.831 14.494 3.263 1.00 50.00 O ATOM 1021 CB VAL A 70 3.879 12.920 2.179 1.00 50.00 C ATOM 1022 CG1 VAL A 70 4.571 13.660 1.035 1.00 50.00 C ATOM 1023 CG2 VAL A 70 2.969 11.832 1.604 1.00 50.00 C ATOM 0 H VAL A 70 3.251 12.114 4.390 1.00 50.00 H new ATOM 0 HA VAL A 70 5.528 11.538 2.551 1.00 50.00 H new ATOM 0 HB VAL A 70 3.284 13.625 2.759 1.00 50.00 H new ATOM 0 HG11 VAL A 70 3.820 14.117 0.391 1.00 50.00 H new ATOM 0 HG12 VAL A 70 5.220 14.435 1.443 1.00 50.00 H new ATOM 0 HG13 VAL A 70 5.167 12.956 0.454 1.00 50.00 H new ATOM 0 HG21 VAL A 70 2.219 12.289 0.959 1.00 50.00 H new ATOM 0 HG22 VAL A 70 3.566 11.127 1.025 1.00 50.00 H new ATOM 0 HG23 VAL A 70 2.474 11.304 2.419 1.00 50.00 H new ATOM 1033 N ALA A 71 6.818 12.941 4.464 1.00 50.00 N ATOM 1034 CA ALA A 71 7.794 13.925 5.017 1.00 50.00 C ATOM 1035 C ALA A 71 9.007 14.037 4.090 1.00 50.00 C ATOM 1036 O ALA A 71 10.133 13.821 4.492 1.00 50.00 O ATOM 1037 CB ALA A 71 8.207 13.352 6.372 1.00 50.00 C ATOM 0 H ALA A 71 6.931 11.983 4.797 1.00 50.00 H new ATOM 0 HA ALA A 71 7.369 14.924 5.110 1.00 50.00 H new ATOM 0 HB1 ALA A 71 8.927 14.020 6.845 1.00 50.00 H new ATOM 0 HB2 ALA A 71 7.328 13.255 7.009 1.00 50.00 H new ATOM 0 HB3 ALA A 71 8.661 12.371 6.229 1.00 50.00 H new ATOM 1043 N THR A 72 8.784 14.376 2.850 1.00 50.00 N ATOM 1044 CA THR A 72 9.920 14.504 1.892 1.00 50.00 C ATOM 1045 C THR A 72 9.667 15.659 0.920 1.00 50.00 C ATOM 1046 O THR A 72 8.583 16.202 0.855 1.00 50.00 O ATOM 1047 CB THR A 72 9.966 13.171 1.143 1.00 50.00 C ATOM 1048 OG1 THR A 72 8.918 12.330 1.604 1.00 50.00 O ATOM 1049 CG2 THR A 72 11.314 12.493 1.391 1.00 50.00 C ATOM 0 H THR A 72 7.863 14.570 2.458 1.00 50.00 H new ATOM 0 HA THR A 72 10.862 14.717 2.398 1.00 50.00 H new ATOM 0 HB THR A 72 9.842 13.350 0.075 1.00 50.00 H new ATOM 0 HG1 THR A 72 8.947 11.477 1.122 1.00 50.00 H new ATOM 0 HG21 THR A 72 11.347 11.543 0.857 1.00 50.00 H new ATOM 0 HG22 THR A 72 12.117 13.138 1.034 1.00 50.00 H new ATOM 0 HG23 THR A 72 11.440 12.314 2.459 1.00 50.00 H new ATOM 1057 N SER A 73 10.657 16.030 0.157 1.00 50.00 N ATOM 1058 CA SER A 73 10.470 17.142 -0.817 1.00 50.00 C ATOM 1059 C SER A 73 10.168 16.571 -2.206 1.00 50.00 C ATOM 1060 O SER A 73 9.902 17.299 -3.142 1.00 50.00 O ATOM 1061 CB SER A 73 11.799 17.895 -0.823 1.00 50.00 C ATOM 1062 OG SER A 73 12.866 16.962 -0.938 1.00 50.00 O ATOM 0 H SER A 73 11.587 15.612 0.165 1.00 50.00 H new ATOM 0 HA SER A 73 9.639 17.794 -0.549 1.00 50.00 H new ATOM 0 HB2 SER A 73 11.827 18.601 -1.653 1.00 50.00 H new ATOM 0 HB3 SER A 73 11.905 18.476 0.093 1.00 50.00 H new ATOM 0 HG SER A 73 13.721 17.442 -0.944 1.00 50.00 H new ATOM 1068 N SER A 74 10.207 15.274 -2.345 1.00 99.99 N ATOM 1069 CA SER A 74 9.923 14.656 -3.672 1.00 99.99 C ATOM 1070 C SER A 74 8.737 13.692 -3.573 1.00 99.99 C ATOM 1071 O SER A 74 8.443 12.959 -4.497 1.00 99.99 O ATOM 1072 CB SER A 74 11.199 13.898 -4.037 1.00 99.99 C ATOM 1073 OG SER A 74 11.388 12.825 -3.125 1.00 99.99 O ATOM 0 H SER A 74 10.423 14.615 -1.597 1.00 99.99 H new ATOM 0 HA SER A 74 9.660 15.401 -4.422 1.00 99.99 H new ATOM 0 HB2 SER A 74 11.129 13.516 -5.056 1.00 99.99 H new ATOM 0 HB3 SER A 74 12.056 14.571 -4.007 1.00 99.99 H new ATOM 0 HG SER A 74 12.205 12.337 -3.359 1.00 99.99 H new ATOM 1079 N ALA A 75 8.048 13.687 -2.464 1.00 99.99 N ATOM 1080 CA ALA A 75 6.880 12.770 -2.319 1.00 99.99 C ATOM 1081 C ALA A 75 5.671 13.346 -3.054 1.00 99.99 C ATOM 1082 O ALA A 75 4.570 12.839 -2.954 1.00 99.99 O ATOM 1083 CB ALA A 75 6.601 12.698 -0.820 1.00 99.99 C ATOM 0 H ALA A 75 8.242 14.276 -1.654 1.00 99.99 H new ATOM 0 HA ALA A 75 7.080 11.785 -2.740 1.00 99.99 H new ATOM 0 HB1 ALA A 75 5.752 12.039 -0.639 1.00 99.99 H new ATOM 0 HB2 ALA A 75 7.479 12.308 -0.305 1.00 99.99 H new ATOM 0 HB3 ALA A 75 6.373 13.695 -0.444 1.00 99.99 H new ATOM 1089 N ASN A 76 5.865 14.399 -3.797 1.00 99.99 N ATOM 1090 CA ASN A 76 4.737 15.002 -4.541 1.00 99.99 C ATOM 1091 C ASN A 76 4.582 14.293 -5.882 1.00 99.99 C ATOM 1092 O ASN A 76 3.986 14.811 -6.806 1.00 99.99 O ATOM 1093 CB ASN A 76 5.128 16.467 -4.744 1.00 99.99 C ATOM 1094 CG ASN A 76 4.666 17.291 -3.542 1.00 99.99 C ATOM 1095 OD1 ASN A 76 3.488 17.358 -3.252 1.00 99.99 O ATOM 1096 ND2 ASN A 76 5.551 17.927 -2.823 1.00 99.99 N ATOM 0 H ASN A 76 6.763 14.867 -3.918 1.00 99.99 H new ATOM 0 HA ASN A 76 3.787 14.914 -4.013 1.00 99.99 H new ATOM 0 HB2 ASN A 76 6.208 16.553 -4.863 1.00 99.99 H new ATOM 0 HB3 ASN A 76 4.675 16.852 -5.658 1.00 99.99 H new ATOM 0 HD21 ASN A 76 5.253 18.479 -2.019 1.00 99.99 H new ATOM 0 HD22 ASN A 76 6.540 17.872 -3.065 1.00 99.99 H new ATOM 1103 N SER A 77 5.114 13.105 -5.996 1.00 99.99 N ATOM 1104 CA SER A 77 4.997 12.365 -7.275 1.00 99.99 C ATOM 1105 C SER A 77 4.362 11.004 -7.015 1.00 99.99 C ATOM 1106 O SER A 77 3.929 10.714 -5.916 1.00 99.99 O ATOM 1107 CB SER A 77 6.431 12.207 -7.777 1.00 99.99 C ATOM 1108 OG SER A 77 6.821 13.388 -8.464 1.00 99.99 O ATOM 0 H SER A 77 5.623 12.620 -5.257 1.00 99.99 H new ATOM 0 HA SER A 77 4.374 12.880 -8.006 1.00 99.99 H new ATOM 0 HB2 SER A 77 7.103 12.021 -6.939 1.00 99.99 H new ATOM 0 HB3 SER A 77 6.503 11.346 -8.441 1.00 99.99 H new ATOM 0 HG SER A 77 7.741 13.290 -8.786 1.00 99.99 H new ATOM 1114 N LYS A 78 4.309 10.164 -8.009 1.00 99.99 N ATOM 1115 CA LYS A 78 3.709 8.820 -7.807 1.00 99.99 C ATOM 1116 C LYS A 78 4.539 8.046 -6.785 1.00 99.99 C ATOM 1117 O LYS A 78 5.460 7.332 -7.129 1.00 99.99 O ATOM 1118 CB LYS A 78 3.772 8.145 -9.177 1.00 99.99 C ATOM 1119 CG LYS A 78 5.177 8.306 -9.760 1.00 99.99 C ATOM 1120 CD LYS A 78 5.657 6.964 -10.317 1.00 99.99 C ATOM 1121 CE LYS A 78 7.038 6.637 -9.744 1.00 99.99 C ATOM 1122 NZ LYS A 78 7.904 6.407 -10.933 1.00 99.99 N ATOM 0 H LYS A 78 4.655 10.350 -8.950 1.00 99.99 H new ATOM 0 HA LYS A 78 2.687 8.865 -7.432 1.00 99.99 H new ATOM 0 HB2 LYS A 78 3.524 7.088 -9.085 1.00 99.99 H new ATOM 0 HB3 LYS A 78 3.035 8.588 -9.847 1.00 99.99 H new ATOM 0 HG2 LYS A 78 5.170 9.058 -10.549 1.00 99.99 H new ATOM 0 HG3 LYS A 78 5.863 8.658 -8.990 1.00 99.99 H new ATOM 0 HD2 LYS A 78 4.949 6.177 -10.058 1.00 99.99 H new ATOM 0 HD3 LYS A 78 5.704 7.006 -11.405 1.00 99.99 H new ATOM 0 HE2 LYS A 78 7.416 7.457 -9.133 1.00 99.99 H new ATOM 0 HE3 LYS A 78 7.002 5.754 -9.106 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 8.869 6.177 -10.620 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 7.524 5.617 -11.492 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 7.925 7.266 -11.518 1.00 99.99 H new ATOM 1136 N VAL A 79 4.223 8.187 -5.529 1.00 99.99 N ATOM 1137 CA VAL A 79 4.992 7.471 -4.484 1.00 99.99 C ATOM 1138 C VAL A 79 4.572 5.995 -4.454 1.00 99.99 C ATOM 1139 O VAL A 79 3.658 5.590 -5.148 1.00 99.99 O ATOM 1140 CB VAL A 79 4.608 8.171 -3.185 1.00 99.99 C ATOM 1141 CG1 VAL A 79 4.801 9.680 -3.345 1.00 99.99 C ATOM 1142 CG2 VAL A 79 3.143 7.878 -2.857 1.00 99.99 C ATOM 0 H VAL A 79 3.461 8.771 -5.183 1.00 99.99 H new ATOM 0 HA VAL A 79 6.068 7.491 -4.655 1.00 99.99 H new ATOM 0 HB VAL A 79 5.240 7.805 -2.376 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.527 10.182 -2.417 1.00 99.99 H new ATOM 0 HG12 VAL A 79 5.845 9.891 -3.577 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.169 10.044 -4.155 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.871 8.379 -1.928 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.509 8.243 -3.665 1.00 99.99 H new ATOM 0 HG23 VAL A 79 3.004 6.803 -2.743 1.00 99.99 H new ATOM 1152 N LEU A 80 5.224 5.186 -3.664 1.00 50.00 N ATOM 1153 CA LEU A 80 4.849 3.740 -3.610 1.00 50.00 C ATOM 1154 C LEU A 80 4.560 3.307 -2.170 1.00 50.00 C ATOM 1155 O LEU A 80 5.321 3.576 -1.263 1.00 50.00 O ATOM 1156 CB LEU A 80 6.067 2.994 -4.156 1.00 50.00 C ATOM 1157 CG LEU A 80 5.603 1.884 -5.102 1.00 50.00 C ATOM 1158 CD1 LEU A 80 6.791 1.387 -5.929 1.00 50.00 C ATOM 1159 CD2 LEU A 80 5.032 0.724 -4.285 1.00 50.00 C ATOM 0 H LEU A 80 5.996 5.459 -3.056 1.00 50.00 H new ATOM 0 HA LEU A 80 3.946 3.533 -4.185 1.00 50.00 H new ATOM 0 HB2 LEU A 80 6.724 3.685 -4.684 1.00 50.00 H new ATOM 0 HB3 LEU A 80 6.645 2.569 -3.335 1.00 50.00 H new ATOM 0 HG LEU A 80 4.834 2.274 -5.769 1.00 50.00 H new ATOM 0 HD11 LEU A 80 6.460 0.596 -6.603 1.00 50.00 H new ATOM 0 HD12 LEU A 80 7.200 2.213 -6.512 1.00 50.00 H new ATOM 0 HD13 LEU A 80 7.561 0.997 -5.263 1.00 50.00 H new ATOM 0 HD21 LEU A 80 4.701 -0.067 -4.958 1.00 50.00 H new ATOM 0 HD22 LEU A 80 5.802 0.335 -3.618 1.00 50.00 H new ATOM 0 HD23 LEU A 80 4.186 1.076 -3.695 1.00 50.00 H new ATOM 1171 N VAL A 81 3.461 2.633 -1.957 1.00 50.00 N ATOM 1172 CA VAL A 81 3.116 2.174 -0.581 1.00 50.00 C ATOM 1173 C VAL A 81 2.873 0.662 -0.581 1.00 50.00 C ATOM 1174 O VAL A 81 2.909 0.019 -1.610 1.00 50.00 O ATOM 1175 CB VAL A 81 1.830 2.923 -0.220 1.00 50.00 C ATOM 1176 CG1 VAL A 81 1.833 3.244 1.274 1.00 50.00 C ATOM 1177 CG2 VAL A 81 1.748 4.227 -1.021 1.00 50.00 C ATOM 0 H VAL A 81 2.786 2.380 -2.679 1.00 50.00 H new ATOM 0 HA VAL A 81 3.914 2.372 0.134 1.00 50.00 H new ATOM 0 HB VAL A 81 0.969 2.299 -0.459 1.00 50.00 H new ATOM 0 HG11 VAL A 81 0.918 3.777 1.533 1.00 50.00 H new ATOM 0 HG12 VAL A 81 1.887 2.317 1.845 1.00 50.00 H new ATOM 0 HG13 VAL A 81 2.696 3.867 1.511 1.00 50.00 H new ATOM 0 HG21 VAL A 81 0.831 4.757 -0.761 1.00 50.00 H new ATOM 0 HG22 VAL A 81 2.608 4.853 -0.785 1.00 50.00 H new ATOM 0 HG23 VAL A 81 1.746 4.000 -2.087 1.00 50.00 H new ATOM 1187 N GLU A 82 2.625 0.087 0.566 1.00 50.00 N ATOM 1188 CA GLU A 82 2.379 -1.385 0.622 1.00 50.00 C ATOM 1189 C GLU A 82 1.648 -1.754 1.916 1.00 50.00 C ATOM 1190 O GLU A 82 1.714 -1.047 2.902 1.00 50.00 O ATOM 1191 CB GLU A 82 3.769 -2.022 0.589 1.00 50.00 C ATOM 1192 CG GLU A 82 4.638 -1.414 1.691 1.00 50.00 C ATOM 1193 CD GLU A 82 5.914 -2.243 1.849 1.00 50.00 C ATOM 1194 OE1 GLU A 82 5.837 -3.449 1.684 1.00 50.00 O ATOM 1195 OE2 GLU A 82 6.946 -1.658 2.131 1.00 50.00 O ATOM 0 H GLU A 82 2.582 0.570 1.463 1.00 50.00 H new ATOM 0 HA GLU A 82 1.754 -1.729 -0.202 1.00 50.00 H new ATOM 0 HB2 GLU A 82 3.689 -3.100 0.728 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.232 -1.859 -0.384 1.00 50.00 H new ATOM 0 HG2 GLU A 82 4.890 -0.383 1.443 1.00 50.00 H new ATOM 0 HG3 GLU A 82 4.088 -1.391 2.632 1.00 50.00 H new ATOM 1202 N MET A 83 0.952 -2.860 1.919 1.00 50.00 N ATOM 1203 CA MET A 83 0.216 -3.277 3.148 1.00 50.00 C ATOM 1204 C MET A 83 -0.097 -4.776 3.097 1.00 50.00 C ATOM 1205 O MET A 83 -0.443 -5.310 2.063 1.00 50.00 O ATOM 1206 CB MET A 83 -1.075 -2.458 3.131 1.00 50.00 C ATOM 1207 CG MET A 83 -1.786 -2.652 1.791 1.00 50.00 C ATOM 1208 SD MET A 83 -2.561 -1.096 1.288 1.00 50.00 S ATOM 1209 CE MET A 83 -1.451 -0.724 -0.090 1.00 50.00 C ATOM 0 H MET A 83 0.861 -3.492 1.124 1.00 50.00 H new ATOM 0 HA MET A 83 0.796 -3.107 4.055 1.00 50.00 H new ATOM 0 HB2 MET A 83 -1.726 -2.769 3.948 1.00 50.00 H new ATOM 0 HB3 MET A 83 -0.851 -1.403 3.286 1.00 50.00 H new ATOM 0 HG2 MET A 83 -1.074 -2.977 1.033 1.00 50.00 H new ATOM 0 HG3 MET A 83 -2.540 -3.435 1.877 1.00 50.00 H new ATOM 0 HE1 MET A 83 -2.012 -0.237 -0.888 1.00 50.00 H new ATOM 0 HE2 MET A 83 -0.656 -0.061 0.252 1.00 50.00 H new ATOM 0 HE3 MET A 83 -1.015 -1.650 -0.466 1.00 50.00 H new ATOM 1219 N GLU A 84 0.025 -5.455 4.205 1.00 50.00 N ATOM 1220 CA GLU A 84 -0.260 -6.906 4.228 1.00 50.00 C ATOM 1221 C GLU A 84 -1.616 -7.175 4.887 1.00 50.00 C ATOM 1222 O GLU A 84 -1.691 -7.430 6.073 1.00 50.00 O ATOM 1223 CB GLU A 84 0.869 -7.505 5.062 1.00 50.00 C ATOM 1224 CG GLU A 84 1.001 -6.735 6.379 1.00 50.00 C ATOM 1225 CD GLU A 84 1.084 -7.725 7.542 1.00 50.00 C ATOM 1226 OE1 GLU A 84 1.280 -8.901 7.281 1.00 50.00 O ATOM 1227 OE2 GLU A 84 0.951 -7.291 8.674 1.00 50.00 O ATOM 0 H GLU A 84 0.313 -5.058 5.099 1.00 50.00 H new ATOM 0 HA GLU A 84 -0.309 -7.336 3.228 1.00 50.00 H new ATOM 0 HB2 GLU A 84 0.667 -8.557 5.263 1.00 50.00 H new ATOM 0 HB3 GLU A 84 1.807 -7.461 4.508 1.00 50.00 H new ATOM 0 HG2 GLU A 84 1.892 -6.107 6.358 1.00 50.00 H new ATOM 0 HG3 GLU A 84 0.146 -6.072 6.512 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.649 -7.113 4.090 1.00 50.00 N ATOM 1235 CA PRO A 85 -4.021 -7.358 4.598 1.00 50.00 C ATOM 1236 C PRO A 85 -4.213 -8.842 4.923 1.00 50.00 C ATOM 1237 O PRO A 85 -3.380 -9.663 4.591 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.913 -6.936 3.434 1.00 50.00 C ATOM 1239 CG PRO A 85 -4.054 -7.079 2.220 1.00 50.00 C ATOM 1240 CD PRO A 85 -2.637 -6.812 2.654 1.00 50.00 C ATOM 0 HA PRO A 85 -4.242 -6.815 5.517 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.800 -7.566 3.367 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -5.260 -5.910 3.554 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -4.146 -8.079 1.797 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -4.360 -6.376 1.445 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.929 -7.444 2.119 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -2.348 -5.778 2.464 1.00 50.00 H new ATOM 1248 N PRO A 86 -5.311 -9.134 5.562 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.628 -10.535 5.939 1.00 50.00 C ATOM 1250 C PRO A 86 -5.964 -11.360 4.694 1.00 50.00 C ATOM 1251 O PRO A 86 -6.244 -10.825 3.640 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.846 -10.393 6.848 1.00 50.00 C ATOM 1253 CG PRO A 86 -7.474 -9.097 6.447 1.00 50.00 C ATOM 1254 CD PRO A 86 -6.356 -8.198 5.989 1.00 50.00 C ATOM 0 HA PRO A 86 -4.799 -11.048 6.426 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -7.537 -11.225 6.715 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -6.556 -10.384 7.899 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -8.200 -9.249 5.648 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -8.011 -8.651 7.285 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.672 -7.550 5.171 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -6.009 -7.549 6.793 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.935 -12.660 4.808 1.00 50.00 N ATOM 1263 CA PHE A 87 -6.249 -13.518 3.628 1.00 50.00 C ATOM 1264 C PHE A 87 -7.592 -13.103 3.020 1.00 50.00 C ATOM 1265 O PHE A 87 -8.593 -13.012 3.703 1.00 50.00 O ATOM 1266 CB PHE A 87 -6.328 -14.949 4.169 1.00 50.00 C ATOM 1267 CG PHE A 87 -5.402 -15.103 5.351 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -4.056 -14.742 5.236 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -5.895 -15.594 6.566 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -3.200 -14.873 6.334 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -5.040 -15.727 7.663 1.00 50.00 C ATOM 1272 CZ PHE A 87 -3.691 -15.366 7.550 1.00 50.00 C ATOM 0 H PHE A 87 -5.708 -13.165 5.665 1.00 50.00 H new ATOM 0 HA PHE A 87 -5.496 -13.425 2.845 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -7.351 -15.179 4.465 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -6.055 -15.658 3.387 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -3.677 -14.362 4.299 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -6.935 -15.870 6.655 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -2.160 -14.594 6.245 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -5.420 -16.109 8.599 1.00 50.00 H new ATOM 0 HZ PHE A 87 -3.031 -15.468 8.399 1.00 50.00 H new ATOM 1282 N GLY A 88 -7.620 -12.848 1.740 1.00 50.00 N ATOM 1283 CA GLY A 88 -8.896 -12.437 1.088 1.00 50.00 C ATOM 1284 C GLY A 88 -8.801 -10.971 0.663 1.00 50.00 C ATOM 1285 O GLY A 88 -8.075 -10.191 1.248 1.00 50.00 O ATOM 0 H GLY A 88 -6.814 -12.907 1.118 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -9.093 -13.066 0.220 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -9.730 -12.574 1.777 1.00 50.00 H new ATOM 1289 N ASP A 89 -9.530 -10.587 -0.349 1.00 50.00 N ATOM 1290 CA ASP A 89 -9.480 -9.169 -0.808 1.00 50.00 C ATOM 1291 C ASP A 89 -9.746 -8.224 0.366 1.00 50.00 C ATOM 1292 O ASP A 89 -10.375 -8.590 1.338 1.00 50.00 O ATOM 1293 CB ASP A 89 -10.589 -9.055 -1.854 1.00 50.00 C ATOM 1294 CG ASP A 89 -11.875 -9.676 -1.306 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -11.926 -9.927 -0.113 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -12.786 -9.890 -2.088 1.00 50.00 O ATOM 0 H ASP A 89 -10.158 -11.193 -0.878 1.00 50.00 H new ATOM 0 HA ASP A 89 -8.506 -8.899 -1.216 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -10.758 -8.008 -2.108 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -10.291 -9.561 -2.772 1.00 50.00 H new ATOM 1301 N SER A 90 -9.269 -7.011 0.285 1.00 50.00 N ATOM 1302 CA SER A 90 -9.495 -6.046 1.402 1.00 50.00 C ATOM 1303 C SER A 90 -9.763 -4.643 0.849 1.00 50.00 C ATOM 1304 O SER A 90 -9.325 -4.298 -0.232 1.00 50.00 O ATOM 1305 CB SER A 90 -8.198 -6.065 2.209 1.00 50.00 C ATOM 1306 OG SER A 90 -7.093 -5.954 1.323 1.00 50.00 O ATOM 0 H SER A 90 -8.734 -6.646 -0.503 1.00 50.00 H new ATOM 0 HA SER A 90 -10.359 -6.315 2.010 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.189 -5.243 2.925 1.00 50.00 H new ATOM 0 HB3 SER A 90 -8.127 -6.989 2.784 1.00 50.00 H new ATOM 0 HG SER A 90 -6.416 -5.364 1.716 1.00 50.00 H new ATOM 1312 N TYR A 91 -10.478 -3.831 1.581 1.00 50.00 N ATOM 1313 CA TYR A 91 -10.770 -2.451 1.093 1.00 50.00 C ATOM 1314 C TYR A 91 -9.906 -1.434 1.842 1.00 50.00 C ATOM 1315 O TYR A 91 -9.981 -1.310 3.048 1.00 50.00 O ATOM 1316 CB TYR A 91 -12.250 -2.224 1.401 1.00 50.00 C ATOM 1317 CG TYR A 91 -13.089 -2.687 0.233 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -12.576 -3.621 -0.675 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -14.385 -2.182 0.060 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -13.356 -4.050 -1.754 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -15.165 -2.610 -1.019 1.00 50.00 C ATOM 1322 CZ TYR A 91 -14.651 -3.544 -1.927 1.00 50.00 C ATOM 1323 OH TYR A 91 -15.421 -3.968 -2.992 1.00 49.57 O ATOM 0 H TYR A 91 -10.872 -4.062 2.493 1.00 50.00 H new ATOM 0 HA TYR A 91 -10.553 -2.335 0.031 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -12.532 -2.769 2.302 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -12.433 -1.167 1.597 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -11.577 -4.011 -0.542 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -14.782 -1.462 0.760 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -12.960 -4.771 -2.454 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -16.163 -2.220 -1.152 1.00 50.00 H new ATOM 0 HH TYR A 91 -16.292 -3.521 -2.964 1.00 49.57 H new ATOM 1333 N ILE A 92 -9.087 -0.703 1.138 1.00 50.00 N ATOM 1334 CA ILE A 92 -8.222 0.307 1.815 1.00 50.00 C ATOM 1335 C ILE A 92 -8.678 1.721 1.444 1.00 50.00 C ATOM 1336 O ILE A 92 -8.852 2.040 0.286 1.00 50.00 O ATOM 1337 CB ILE A 92 -6.813 0.038 1.285 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -5.800 0.877 2.071 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -6.743 0.411 -0.197 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -5.983 2.359 1.736 1.00 50.00 C ATOM 0 H ILE A 92 -8.978 -0.760 0.125 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.268 0.233 2.902 1.00 50.00 H new ATOM 0 HB ILE A 92 -6.578 -1.020 1.404 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -5.934 0.717 3.141 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -4.786 0.562 1.826 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -5.738 0.219 -0.573 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -7.461 -0.188 -0.757 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -6.980 1.468 -0.318 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -5.260 2.951 2.298 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -5.826 2.513 0.668 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -6.993 2.670 2.003 1.00 50.00 H new ATOM 1352 N VAL A 93 -8.875 2.570 2.415 1.00 50.00 N ATOM 1353 CA VAL A 93 -9.322 3.959 2.102 1.00 50.00 C ATOM 1354 C VAL A 93 -8.251 4.973 2.512 1.00 50.00 C ATOM 1355 O VAL A 93 -7.633 4.853 3.551 1.00 50.00 O ATOM 1356 CB VAL A 93 -10.594 4.164 2.925 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.255 5.482 2.520 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -11.562 3.009 2.661 1.00 50.00 C ATOM 0 H VAL A 93 -8.747 2.365 3.406 1.00 50.00 H new ATOM 0 HA VAL A 93 -9.497 4.100 1.035 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.341 4.193 3.985 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.162 5.629 3.106 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -10.566 6.306 2.704 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -11.509 5.451 1.460 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.470 3.154 3.247 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -11.815 2.981 1.601 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.092 2.068 2.946 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.029 5.970 1.700 1.00 50.00 N ATOM 1369 CA VAL A 94 -7.002 6.995 2.037 1.00 50.00 C ATOM 1370 C VAL A 94 -7.648 8.382 2.112 1.00 50.00 C ATOM 1371 O VAL A 94 -7.961 8.985 1.105 1.00 50.00 O ATOM 1372 CB VAL A 94 -5.994 6.931 0.891 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -5.019 8.104 0.997 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -5.216 5.615 0.971 1.00 50.00 C ATOM 0 H VAL A 94 -8.516 6.119 0.816 1.00 50.00 H new ATOM 0 HA VAL A 94 -6.532 6.812 3.003 1.00 50.00 H new ATOM 0 HB VAL A 94 -6.524 6.986 -0.060 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -4.301 8.056 0.178 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -5.571 9.042 0.941 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -4.489 8.052 1.948 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -4.496 5.568 0.154 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -4.688 5.562 1.923 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -5.909 4.777 0.893 1.00 50.00 H new ATOM 1384 N GLY A 95 -7.858 8.887 3.298 1.00 50.00 N ATOM 1385 CA GLY A 95 -8.488 10.232 3.436 1.00 50.00 C ATOM 1386 C GLY A 95 -8.098 10.849 4.781 1.00 50.00 C ATOM 1387 O GLY A 95 -7.558 10.188 5.645 1.00 50.00 O ATOM 0 H GLY A 95 -7.621 8.427 4.177 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -8.166 10.880 2.621 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -9.572 10.145 3.366 1.00 50.00 H new ATOM 1391 N MET A 96 -8.373 12.112 4.967 1.00 50.00 N ATOM 1392 CA MET A 96 -8.021 12.771 6.260 1.00 50.00 C ATOM 1393 C MET A 96 -9.247 12.831 7.177 1.00 50.00 C ATOM 1394 O MET A 96 -9.327 12.133 8.168 1.00 50.00 O ATOM 1395 CB MET A 96 -7.567 14.180 5.876 1.00 50.00 C ATOM 1396 CG MET A 96 -6.614 14.719 6.944 1.00 50.00 C ATOM 1397 SD MET A 96 -6.453 16.513 6.762 1.00 50.00 S ATOM 1398 CE MET A 96 -5.720 16.510 5.108 1.00 50.00 C ATOM 0 H MET A 96 -8.826 12.716 4.281 1.00 50.00 H new ATOM 0 HA MET A 96 -7.247 12.228 6.803 1.00 50.00 H new ATOM 0 HB2 MET A 96 -7.070 14.161 4.906 1.00 50.00 H new ATOM 0 HB3 MET A 96 -8.431 14.838 5.779 1.00 50.00 H new ATOM 0 HG2 MET A 96 -6.990 14.476 7.938 1.00 50.00 H new ATOM 0 HG3 MET A 96 -5.638 14.244 6.848 1.00 50.00 H new ATOM 0 HE1 MET A 96 -4.849 17.165 5.095 1.00 50.00 H new ATOM 0 HE2 MET A 96 -5.416 15.496 4.847 1.00 50.00 H new ATOM 0 HE3 MET A 96 -6.453 16.867 4.385 1.00 50.00 H new ATOM 1408 N GLY A 97 -10.202 13.662 6.856 1.00 50.00 N ATOM 1409 CA GLY A 97 -11.421 13.767 7.709 1.00 50.00 C ATOM 1410 C GLY A 97 -12.528 14.480 6.932 1.00 50.00 C ATOM 1411 O GLY A 97 -13.298 15.240 7.484 1.00 50.00 O ATOM 0 H GLY A 97 -10.191 14.273 6.039 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -11.755 12.774 8.009 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -11.192 14.316 8.623 1.00 50.00 H new ATOM 1415 N ASP A 98 -12.613 14.239 5.652 1.00 50.00 N ATOM 1416 CA ASP A 98 -13.671 14.900 4.834 1.00 50.00 C ATOM 1417 C ASP A 98 -13.851 14.148 3.512 1.00 50.00 C ATOM 1418 O ASP A 98 -14.953 13.849 3.100 1.00 50.00 O ATOM 1419 CB ASP A 98 -13.151 16.317 4.583 1.00 50.00 C ATOM 1420 CG ASP A 98 -11.667 16.259 4.218 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -11.370 16.057 3.052 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -10.850 16.419 5.111 1.00 50.00 O ATOM 0 H ASP A 98 -11.995 13.612 5.136 1.00 50.00 H new ATOM 0 HA ASP A 98 -14.640 14.908 5.332 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -13.716 16.786 3.778 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -13.294 16.931 5.472 1.00 50.00 H new ATOM 1427 N LYS A 99 -12.770 13.835 2.850 1.00 50.00 N ATOM 1428 CA LYS A 99 -12.863 13.098 1.565 1.00 50.00 C ATOM 1429 C LYS A 99 -11.870 11.933 1.565 1.00 50.00 C ATOM 1430 O LYS A 99 -10.708 12.098 1.877 1.00 50.00 O ATOM 1431 CB LYS A 99 -12.501 14.121 0.489 1.00 50.00 C ATOM 1432 CG LYS A 99 -12.372 13.416 -0.863 1.00 50.00 C ATOM 1433 CD LYS A 99 -13.537 13.827 -1.767 1.00 50.00 C ATOM 1434 CE LYS A 99 -14.609 12.735 -1.747 1.00 50.00 C ATOM 1435 NZ LYS A 99 -14.529 12.093 -3.089 1.00 50.00 N ATOM 0 H LYS A 99 -11.822 14.061 3.149 1.00 50.00 H new ATOM 0 HA LYS A 99 -13.853 12.675 1.396 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -13.267 14.895 0.436 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -11.564 14.616 0.744 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -11.424 13.678 -1.332 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -12.371 12.335 -0.723 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -13.959 14.772 -1.426 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -13.183 13.985 -2.786 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -14.422 12.013 -0.952 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -15.598 13.156 -1.569 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -15.235 11.332 -3.153 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -14.718 12.803 -3.825 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -13.578 11.695 -3.227 1.00 50.00 H new ATOM 1449 N GLN A 100 -12.318 10.753 1.231 1.00 0.00 N ATOM 1450 CA GLN A 100 -11.393 9.584 1.228 1.00 0.00 C ATOM 1451 C GLN A 100 -11.669 8.677 0.022 1.00 0.00 C ATOM 1452 O GLN A 100 -12.774 8.594 -0.471 1.00 0.00 O ATOM 1453 CB GLN A 100 -11.674 8.848 2.542 1.00 0.00 C ATOM 1454 CG GLN A 100 -13.183 8.744 2.767 1.00 0.00 C ATOM 1455 CD GLN A 100 -13.784 7.828 1.705 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -13.575 6.632 1.725 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -14.530 8.344 0.770 1.00 0.00 N ATOM 0 H GLN A 100 -13.280 10.548 0.961 1.00 0.00 H new ATOM 0 HA GLN A 100 -10.349 9.889 1.150 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.232 7.852 2.513 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.209 9.379 3.373 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.389 8.351 3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.640 9.732 2.714 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -14.705 9.349 0.754 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -14.939 7.743 0.054 1.00 0.00 H new ATOM 1466 N ILE A 101 -10.665 8.004 -0.460 1.00 0.00 N ATOM 1467 CA ILE A 101 -10.859 7.102 -1.631 1.00 0.00 C ATOM 1468 C ILE A 101 -10.683 5.643 -1.196 1.00 0.00 C ATOM 1469 O ILE A 101 -9.666 5.271 -0.644 1.00 0.00 O ATOM 1470 CB ILE A 101 -9.772 7.504 -2.628 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -10.192 8.789 -3.346 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -9.580 6.387 -3.657 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -9.400 9.971 -2.781 1.00 0.00 C ATOM 0 H ILE A 101 -9.714 8.038 -0.093 1.00 0.00 H new ATOM 0 HA ILE A 101 -11.855 7.189 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.836 7.671 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -10.012 8.695 -4.417 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -11.261 8.958 -3.216 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.805 6.676 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -9.283 5.470 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -10.516 6.219 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -9.699 10.886 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -9.603 10.068 -1.714 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.334 9.801 -2.934 1.00 0.00 H new ATOM 1485 N ASN A 102 -11.665 4.817 -1.430 1.00 0.00 N ATOM 1486 CA ASN A 102 -11.550 3.387 -1.016 1.00 0.00 C ATOM 1487 C ASN A 102 -11.194 2.503 -2.216 1.00 0.00 C ATOM 1488 O ASN A 102 -11.704 2.681 -3.305 1.00 0.00 O ATOM 1489 CB ASN A 102 -12.931 3.020 -0.471 1.00 0.00 C ATOM 1490 CG ASN A 102 -13.904 2.815 -1.635 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -13.923 1.765 -2.248 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -14.719 3.778 -1.967 1.00 0.00 N ATOM 0 H ASN A 102 -12.541 5.068 -1.889 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.764 3.239 -0.276 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.867 2.111 0.127 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.295 3.810 0.186 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -15.372 3.650 -2.740 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -14.704 4.659 -1.453 1.00 0.00 H new ATOM 1499 N HIS A 103 -10.326 1.548 -2.019 1.00 0.00 N ATOM 1500 CA HIS A 103 -9.938 0.645 -3.140 1.00 0.00 C ATOM 1501 C HIS A 103 -10.274 -0.805 -2.780 1.00 0.00 C ATOM 1502 O HIS A 103 -10.458 -1.140 -1.627 1.00 0.00 O ATOM 1503 CB HIS A 103 -8.427 0.825 -3.294 1.00 0.00 C ATOM 1504 CG HIS A 103 -8.151 2.073 -4.086 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -9.035 2.557 -5.036 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -7.091 2.947 -4.080 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -8.498 3.675 -5.558 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -7.314 3.958 -5.011 1.00 0.00 N ATOM 0 H HIS A 103 -9.868 1.354 -1.128 1.00 0.00 H new ATOM 0 HA HIS A 103 -10.468 0.878 -4.064 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -7.956 0.892 -2.313 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -7.996 -0.041 -3.797 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -6.218 2.863 -3.450 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.968 4.271 -6.326 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -6.704 4.746 -5.228 1.00 0.00 H new ATOM 1516 N HIS A 104 -10.361 -1.666 -3.756 1.00 0.00 N ATOM 1517 CA HIS A 104 -10.692 -3.091 -3.462 1.00 0.00 C ATOM 1518 C HIS A 104 -9.548 -4.009 -3.901 1.00 0.00 C ATOM 1519 O HIS A 104 -9.493 -4.451 -5.032 1.00 0.00 O ATOM 1520 CB HIS A 104 -11.951 -3.380 -4.279 1.00 0.00 C ATOM 1521 CG HIS A 104 -11.665 -3.149 -5.738 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -11.692 -1.886 -6.306 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -11.346 -4.012 -6.757 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -11.395 -2.022 -7.611 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -11.176 -3.298 -7.940 1.00 0.00 N ATOM 0 H HIS A 104 -10.218 -1.447 -4.742 1.00 0.00 H new ATOM 0 HA HIS A 104 -10.844 -3.265 -2.397 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -12.273 -4.409 -4.119 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -12.767 -2.736 -3.951 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -11.243 -5.082 -6.656 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -11.340 -1.199 -8.308 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -10.936 -3.669 -8.859 1.00 0.00 H new ATOM 1533 N TRP A 105 -8.636 -4.305 -3.015 1.00 0.00 N ATOM 1534 CA TRP A 105 -7.505 -5.199 -3.384 1.00 0.00 C ATOM 1535 C TRP A 105 -8.019 -6.619 -3.634 1.00 0.00 C ATOM 1536 O TRP A 105 -8.446 -7.303 -2.725 1.00 0.00 O ATOM 1537 CB TRP A 105 -6.563 -5.169 -2.178 1.00 0.00 C ATOM 1538 CG TRP A 105 -5.678 -6.374 -2.205 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -5.319 -7.098 -1.120 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -5.037 -7.007 -3.350 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -4.499 -8.136 -1.526 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -4.295 -8.122 -2.891 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -5.027 -6.725 -4.728 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -3.570 -8.929 -3.769 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -4.297 -7.535 -5.614 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -3.570 -8.635 -5.136 1.00 0.00 C ATOM 0 H TRP A 105 -8.626 -3.966 -2.053 1.00 0.00 H new ATOM 0 HA TRP A 105 -7.003 -4.878 -4.296 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.960 -4.261 -2.197 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -7.140 -5.149 -1.253 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -5.623 -6.898 -0.103 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -4.095 -8.827 -0.894 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.584 -5.881 -5.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.013 -9.775 -3.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -4.296 -7.309 -6.670 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -3.011 -9.254 -5.822 1.00 0.00 H new ATOM 1557 N HIS A 106 -7.982 -7.067 -4.859 1.00 0.00 N ATOM 1558 CA HIS A 106 -8.471 -8.442 -5.166 1.00 0.00 C ATOM 1559 C HIS A 106 -7.442 -9.193 -6.016 1.00 0.00 C ATOM 1560 O HIS A 106 -6.849 -8.640 -6.921 1.00 0.00 O ATOM 1561 CB HIS A 106 -9.766 -8.233 -5.952 1.00 0.00 C ATOM 1562 CG HIS A 106 -10.853 -9.092 -5.367 1.00 0.00 C ATOM 1563 ND1 HIS A 106 -12.159 -8.647 -5.239 1.00 0.00 N ATOM 1564 CD2 HIS A 106 -10.843 -10.373 -4.872 1.00 0.00 C ATOM 1565 CE1 HIS A 106 -12.875 -9.643 -4.686 1.00 0.00 C ATOM 1566 NE2 HIS A 106 -12.122 -10.719 -4.442 1.00 0.00 N ATOM 0 H HIS A 106 -7.634 -6.541 -5.661 1.00 0.00 H new ATOM 0 HA HIS A 106 -8.631 -9.035 -4.265 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.059 -7.184 -5.918 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -9.612 -8.487 -7.001 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -9.976 -11.015 -4.823 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -13.931 -9.580 -4.466 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.419 -11.603 -4.030 1.00 0.00 H new ATOM 1574 N LYS A 107 -7.224 -10.448 -5.731 1.00 0.00 N ATOM 1575 CA LYS A 107 -6.233 -11.231 -6.523 1.00 0.00 C ATOM 1576 C LYS A 107 -6.787 -11.528 -7.921 1.00 0.00 C ATOM 1577 O LYS A 107 -6.082 -12.000 -8.791 1.00 0.00 O ATOM 1578 CB LYS A 107 -6.033 -12.529 -5.740 1.00 0.00 C ATOM 1579 CG LYS A 107 -4.835 -13.291 -6.310 1.00 0.00 C ATOM 1580 CD LYS A 107 -5.227 -14.749 -6.558 1.00 0.00 C ATOM 1581 CE LYS A 107 -4.259 -15.374 -7.565 1.00 0.00 C ATOM 1582 NZ LYS A 107 -4.654 -14.804 -8.883 1.00 0.00 N ATOM 0 H LYS A 107 -7.689 -10.965 -4.984 1.00 0.00 H new ATOM 0 HA LYS A 107 -5.297 -10.690 -6.660 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -5.868 -12.308 -4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.931 -13.144 -5.800 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.506 -12.829 -7.241 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.996 -13.242 -5.616 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -5.205 -15.307 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.248 -14.803 -6.937 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.225 -15.129 -7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.337 -16.461 -7.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -5.057 -15.555 -9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.364 -14.058 -8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -3.818 -14.401 -9.352 1.00 0.00 H new ATOM 1596 N ALA A 108 -8.044 -11.254 -8.141 1.00 0.00 N ATOM 1597 CA ALA A 108 -8.642 -11.519 -9.481 1.00 0.00 C ATOM 1598 C ALA A 108 -10.094 -11.036 -9.515 1.00 0.00 C ATOM 1599 O ALA A 108 -10.768 -10.997 -8.505 1.00 0.00 O ATOM 1600 CB ALA A 108 -8.576 -13.037 -9.652 1.00 0.00 C ATOM 0 H ALA A 108 -8.683 -10.858 -7.451 1.00 0.00 H new ATOM 0 HA ALA A 108 -8.115 -10.997 -10.280 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -8.999 -13.313 -10.618 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.537 -13.364 -9.604 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.145 -13.518 -8.856 1.00 0.00 H new ATOM 1606 N GLY A 109 -10.581 -10.666 -10.668 1.00 0.00 N ATOM 1607 CA GLY A 109 -11.989 -10.184 -10.761 1.00 0.00 C ATOM 1608 C GLY A 109 -12.711 -10.920 -11.892 1.00 0.00 C ATOM 1609 O GLY A 109 -12.180 -11.837 -12.487 1.00 0.00 O ATOM 0 H GLY A 109 -10.066 -10.676 -11.548 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -12.505 -10.353 -9.816 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -12.005 -9.110 -10.945 1.00 0.00 H new ATOM 1613 N SER A 110 -13.918 -10.525 -12.192 1.00 0.00 N ATOM 1614 CA SER A 110 -14.675 -11.203 -13.284 1.00 0.00 C ATOM 1615 C SER A 110 -15.481 -10.177 -14.085 1.00 0.00 C ATOM 1616 O SER A 110 -16.628 -10.398 -14.418 1.00 0.00 O ATOM 1617 CB SER A 110 -15.608 -12.180 -12.571 1.00 0.00 C ATOM 1618 OG SER A 110 -15.069 -13.493 -12.660 1.00 0.00 O ATOM 0 H SER A 110 -14.413 -9.763 -11.729 1.00 0.00 H new ATOM 0 HA SER A 110 -14.017 -11.710 -13.990 1.00 0.00 H new ATOM 0 HB2 SER A 110 -15.725 -11.892 -11.526 1.00 0.00 H new ATOM 0 HB3 SER A 110 -16.599 -12.150 -13.023 1.00 0.00 H new ATOM 0 HG SER A 110 -15.664 -14.123 -12.202 1.00 0.00 H new ATOM 1624 N THR A 111 -14.890 -9.055 -14.396 1.00 0.00 N ATOM 1625 CA THR A 111 -15.623 -8.017 -15.175 1.00 0.00 C ATOM 1626 C THR A 111 -14.782 -7.560 -16.370 1.00 0.00 C ATOM 1627 O THR A 111 -15.339 -7.433 -17.447 1.00 49.57 O ATOM 1628 CB THR A 111 -15.836 -6.861 -14.195 1.00 0.00 C ATOM 1629 OG1 THR A 111 -16.360 -7.366 -12.975 1.00 0.00 O ATOM 1630 CG2 THR A 111 -16.817 -5.854 -14.797 1.00 0.00 C ATOM 1631 OXT THR A 111 -13.595 -7.344 -16.185 1.00 49.57 O ATOM 0 H THR A 111 -13.932 -8.813 -14.144 1.00 0.00 H new ATOM 0 HA THR A 111 -16.566 -8.391 -15.575 1.00 0.00 H new ATOM 0 HB THR A 111 -14.884 -6.366 -14.003 1.00 0.00 H new ATOM 0 HG1 THR A 111 -16.495 -6.627 -12.346 1.00 0.00 H new ATOM 0 HG21 THR A 111 -16.968 -5.031 -14.098 1.00 0.00 H new ATOM 0 HG22 THR A 111 -16.413 -5.467 -15.732 1.00 0.00 H new ATOM 0 HG23 THR A 111 -17.770 -6.346 -14.990 1.00 0.00 H new TER 1639 THR A 111