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 53 SER OG : rot -15:sc= -5.44! USER MOD Set 1.2: A 91 TYR OH : rot 82:sc= 0.161 USER MOD Set 1.3: A 104 HIS : no HD1:sc= -11.2! C(o=-16!,f=-19!) USER MOD Set 2.1: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 74 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 55 ASN : amide:sc= -3.07! K(o=-2.6!,f=-0.31) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= 0.445 USER MOD Set 4.1: A 26 THR OG1 : rot 160:sc= -0.693 USER MOD Set 4.2: A 30 THR OG1 : rot 29:sc= 0.974 USER MOD Single : A 1 ASP N :NH3+ -153:sc= 0.00979 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 156:sc= -0.0789 (180deg=-0.524) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.083 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 73:sc= -4.34! 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+ -105:sc= 0 (180deg=-0.0676) USER MOD Single : A 22 ASN : amide:sc= -0.424 K(o=-0.42,f=-1.1!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0853 X(o=-0.085,f=-0.47) USER MOD Single : A 36 SER OG : rot 180:sc=-0.00637 USER MOD Single : A 37 TYR OH : rot -178:sc= 1.04 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc=-0.00348 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -161:sc= 0.267 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.94! C(o=-2.9!,f=-8.3!) USER MOD Single : A 72 THR OG1 : rot 176:sc= -1.19 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 65:sc= -0.359 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= -0.0464 (180deg=-0.0464) USER MOD Single : A 90 SER OG : rot -170:sc= -2.06! USER MOD Single : A 96 MET CE :methyl -130:sc= -0.903 (180deg=-3.07!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -9.35! C(o=-9.4!,f=-4.1!) USER MOD Single : A 102 ASN : amide:sc= -2.49! C(o=-2.5!,f=-1.6!) USER MOD Single : A 103 HIS : no HE2:sc= 0.436 K(o=0.44,f=-6.4!) USER MOD Single : A 106 HIS : no HE2:sc= -0.673! C(o=-0.67!,f=-3.1!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 48:sc= -0.347! USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 24.742 3.891 11.191 1.00 50.00 N ATOM 2 CA ASP A 1 23.574 4.521 11.871 1.00 50.00 C ATOM 3 C ASP A 1 22.299 3.724 11.582 1.00 50.00 C ATOM 4 O ASP A 1 22.349 2.583 11.167 1.00 50.00 O ATOM 5 CB ASP A 1 23.476 5.925 11.272 1.00 50.00 C ATOM 6 CG ASP A 1 23.352 6.953 12.398 1.00 50.00 C ATOM 7 OD1 ASP A 1 23.258 6.541 13.542 1.00 50.00 O ATOM 8 OD2 ASP A 1 23.356 8.134 12.098 1.00 50.00 O ATOM 0 H1 ASP A 1 25.611 4.115 11.716 1.00 50.00 H new ATOM 0 H2 ASP A 1 24.611 2.860 11.161 1.00 50.00 H new ATOM 0 H3 ASP A 1 24.819 4.259 10.221 1.00 50.00 H new ATOM 0 HA ASP A 1 23.693 4.547 12.954 1.00 50.00 H new ATOM 0 HB2 ASP A 1 24.358 6.136 10.668 1.00 50.00 H new ATOM 0 HB3 ASP A 1 22.613 5.990 10.609 1.00 50.00 H new ATOM 15 N LYS A 2 21.156 4.317 11.797 1.00 50.00 N ATOM 16 CA LYS A 2 19.879 3.594 11.536 1.00 50.00 C ATOM 17 C LYS A 2 18.697 4.565 11.611 1.00 50.00 C ATOM 18 O LYS A 2 18.853 5.723 11.945 1.00 50.00 O ATOM 19 CB LYS A 2 19.782 2.546 12.644 1.00 50.00 C ATOM 20 CG LYS A 2 19.865 3.234 14.008 1.00 50.00 C ATOM 21 CD LYS A 2 18.592 2.944 14.805 1.00 50.00 C ATOM 22 CE LYS A 2 18.794 1.681 15.647 1.00 50.00 C ATOM 23 NZ LYS A 2 17.777 1.775 16.730 1.00 50.00 N ATOM 0 H LYS A 2 21.052 5.271 12.142 1.00 50.00 H new ATOM 0 HA LYS A 2 19.857 3.141 10.545 1.00 50.00 H new ATOM 0 HB2 LYS A 2 18.844 1.997 12.558 1.00 50.00 H new ATOM 0 HB3 LYS A 2 20.587 1.819 12.542 1.00 50.00 H new ATOM 0 HG2 LYS A 2 20.738 2.877 14.554 1.00 50.00 H new ATOM 0 HG3 LYS A 2 19.988 4.309 13.878 1.00 50.00 H new ATOM 0 HD2 LYS A 2 18.353 3.790 15.450 1.00 50.00 H new ATOM 0 HD3 LYS A 2 17.748 2.811 14.128 1.00 50.00 H new ATOM 0 HE2 LYS A 2 18.652 0.781 15.049 1.00 50.00 H new ATOM 0 HE3 LYS A 2 19.803 1.636 16.056 1.00 50.00 H new ATOM 0 HZ1 LYS A 2 17.852 0.944 17.350 1.00 50.00 H new ATOM 0 HZ2 LYS A 2 17.941 2.638 17.287 1.00 50.00 H new ATOM 0 HZ3 LYS A 2 16.826 1.809 16.311 1.00 50.00 H new ATOM 37 N LEU A 3 17.516 4.103 11.303 1.00 50.00 N ATOM 38 CA LEU A 3 16.327 5.002 11.358 1.00 50.00 C ATOM 39 C LEU A 3 15.708 4.972 12.759 1.00 50.00 C ATOM 40 O LEU A 3 15.653 3.941 13.400 1.00 50.00 O ATOM 41 CB LEU A 3 15.352 4.434 10.325 1.00 50.00 C ATOM 42 CG LEU A 3 15.326 5.341 9.093 1.00 50.00 C ATOM 43 CD1 LEU A 3 14.581 4.640 7.956 1.00 50.00 C ATOM 44 CD2 LEU A 3 14.612 6.649 9.439 1.00 50.00 C ATOM 0 H LEU A 3 17.323 3.144 11.016 1.00 50.00 H new ATOM 0 HA LEU A 3 16.582 6.040 11.146 1.00 50.00 H new ATOM 0 HB2 LEU A 3 15.654 3.426 10.041 1.00 50.00 H new ATOM 0 HB3 LEU A 3 14.353 4.359 10.755 1.00 50.00 H new ATOM 0 HG LEU A 3 16.348 5.555 8.779 1.00 50.00 H new ATOM 0 HD11 LEU A 3 14.563 5.287 7.079 1.00 50.00 H new ATOM 0 HD12 LEU A 3 15.089 3.708 7.709 1.00 50.00 H new ATOM 0 HD13 LEU A 3 13.559 4.425 8.269 1.00 50.00 H new ATOM 0 HD21 LEU A 3 14.593 7.296 8.562 1.00 50.00 H new ATOM 0 HD22 LEU A 3 13.591 6.434 9.754 1.00 50.00 H new ATOM 0 HD23 LEU A 3 15.143 7.150 10.248 1.00 50.00 H new ATOM 56 N ALA A 4 15.245 6.094 13.238 1.00 50.00 N ATOM 57 CA ALA A 4 14.633 6.128 14.598 1.00 50.00 C ATOM 58 C ALA A 4 13.157 6.525 14.506 1.00 50.00 C ATOM 59 O ALA A 4 12.723 7.116 13.536 1.00 50.00 O ATOM 60 CB ALA A 4 15.426 7.187 15.363 1.00 50.00 C ATOM 0 H ALA A 4 15.264 6.988 12.748 1.00 50.00 H new ATOM 0 HA ALA A 4 14.669 5.156 15.091 1.00 50.00 H new ATOM 0 HB1 ALA A 4 15.035 7.272 16.377 1.00 50.00 H new ATOM 0 HB2 ALA A 4 16.476 6.898 15.402 1.00 50.00 H new ATOM 0 HB3 ALA A 4 15.333 8.148 14.856 1.00 50.00 H new ATOM 66 N LEU A 5 12.384 6.207 15.507 1.00 50.00 N ATOM 67 CA LEU A 5 10.938 6.568 15.478 1.00 50.00 C ATOM 68 C LEU A 5 10.643 7.651 16.518 1.00 50.00 C ATOM 69 O LEU A 5 9.888 7.444 17.447 1.00 50.00 O ATOM 70 CB LEU A 5 10.199 5.275 15.826 1.00 50.00 C ATOM 71 CG LEU A 5 9.207 4.939 14.711 1.00 50.00 C ATOM 72 CD1 LEU A 5 9.947 4.854 13.377 1.00 50.00 C ATOM 73 CD2 LEU A 5 8.540 3.594 15.012 1.00 50.00 C ATOM 0 H LEU A 5 12.691 5.712 16.345 1.00 50.00 H new ATOM 0 HA LEU A 5 10.631 6.965 14.510 1.00 50.00 H new ATOM 0 HB2 LEU A 5 10.911 4.459 15.952 1.00 50.00 H new ATOM 0 HB3 LEU A 5 9.673 5.388 16.774 1.00 50.00 H new ATOM 0 HG LEU A 5 8.447 5.718 14.654 1.00 50.00 H new ATOM 0 HD11 LEU A 5 9.240 4.615 12.583 1.00 50.00 H new ATOM 0 HD12 LEU A 5 10.422 5.811 13.163 1.00 50.00 H new ATOM 0 HD13 LEU A 5 10.708 4.075 13.432 1.00 50.00 H new ATOM 0 HD21 LEU A 5 7.833 3.353 14.218 1.00 50.00 H new ATOM 0 HD22 LEU A 5 9.301 2.815 15.069 1.00 50.00 H new ATOM 0 HD23 LEU A 5 8.011 3.655 15.963 1.00 50.00 H new ATOM 85 N LYS A 6 11.235 8.805 16.372 1.00 50.00 N ATOM 86 CA LYS A 6 10.990 9.900 17.353 1.00 50.00 C ATOM 87 C LYS A 6 10.682 11.210 16.622 1.00 50.00 C ATOM 88 O LYS A 6 11.449 11.666 15.798 1.00 50.00 O ATOM 89 CB LYS A 6 12.294 10.021 18.143 1.00 50.00 C ATOM 90 CG LYS A 6 12.104 11.015 19.291 1.00 50.00 C ATOM 91 CD LYS A 6 11.546 10.284 20.514 1.00 50.00 C ATOM 92 CE LYS A 6 10.460 11.139 21.169 1.00 50.00 C ATOM 93 NZ LYS A 6 9.276 11.010 20.274 1.00 50.00 N ATOM 0 H LYS A 6 11.878 9.037 15.615 1.00 50.00 H new ATOM 0 HA LYS A 6 10.138 9.691 18.000 1.00 50.00 H new ATOM 0 HB2 LYS A 6 12.586 9.047 18.536 1.00 50.00 H new ATOM 0 HB3 LYS A 6 13.099 10.355 17.488 1.00 50.00 H new ATOM 0 HG2 LYS A 6 13.055 11.486 19.539 1.00 50.00 H new ATOM 0 HG3 LYS A 6 11.423 11.811 18.988 1.00 50.00 H new ATOM 0 HD2 LYS A 6 11.134 9.319 20.218 1.00 50.00 H new ATOM 0 HD3 LYS A 6 12.346 10.084 21.227 1.00 50.00 H new ATOM 0 HE2 LYS A 6 10.234 10.787 22.176 1.00 50.00 H new ATOM 0 HE3 LYS A 6 10.776 12.178 21.258 1.00 50.00 H new ATOM 0 HZ1 LYS A 6 8.409 11.202 20.815 1.00 50.00 H new ATOM 0 HZ2 LYS A 6 9.355 11.692 19.493 1.00 50.00 H new ATOM 0 HZ3 LYS A 6 9.236 10.045 19.888 1.00 50.00 H new ATOM 107 N GLY A 7 9.564 11.816 16.916 1.00 50.00 N ATOM 108 CA GLY A 7 9.209 13.094 16.237 1.00 50.00 C ATOM 109 C GLY A 7 8.145 13.830 17.055 1.00 50.00 C ATOM 110 O GLY A 7 7.152 13.257 17.456 1.00 50.00 O ATOM 0 H GLY A 7 8.882 11.481 17.596 1.00 50.00 H new ATOM 0 HA2 GLY A 7 10.096 13.719 16.128 1.00 50.00 H new ATOM 0 HA3 GLY A 7 8.836 12.893 15.233 1.00 50.00 H new ATOM 114 N THR A 8 8.346 15.094 17.306 1.00 50.00 N ATOM 115 CA THR A 8 7.345 15.865 18.098 1.00 50.00 C ATOM 116 C THR A 8 5.953 15.726 17.474 1.00 50.00 C ATOM 117 O THR A 8 5.806 15.271 16.357 1.00 50.00 O ATOM 118 CB THR A 8 7.821 17.318 18.031 1.00 50.00 C ATOM 119 OG1 THR A 8 9.234 17.357 18.169 1.00 50.00 O ATOM 120 CG2 THR A 8 7.173 18.122 19.158 1.00 50.00 C ATOM 0 H THR A 8 9.159 15.627 16.998 1.00 50.00 H new ATOM 0 HA THR A 8 7.268 15.508 19.125 1.00 50.00 H new ATOM 0 HB THR A 8 7.537 17.751 17.072 1.00 50.00 H new ATOM 0 HG1 THR A 8 9.541 18.286 18.125 1.00 50.00 H new ATOM 0 HG21 THR A 8 7.513 19.156 19.109 1.00 50.00 H new ATOM 0 HG22 THR A 8 6.089 18.091 19.050 1.00 50.00 H new ATOM 0 HG23 THR A 8 7.455 17.693 20.120 1.00 50.00 H new ATOM 128 N THR A 9 4.931 16.114 18.188 1.00 50.00 N ATOM 129 CA THR A 9 3.550 16.004 17.636 1.00 50.00 C ATOM 130 C THR A 9 3.474 16.678 16.263 1.00 50.00 C ATOM 131 O THR A 9 4.335 17.449 15.890 1.00 50.00 O ATOM 132 CB THR A 9 2.662 16.738 18.643 1.00 50.00 C ATOM 133 OG1 THR A 9 1.297 16.476 18.346 1.00 50.00 O ATOM 134 CG2 THR A 9 2.926 18.242 18.558 1.00 50.00 C ATOM 0 H THR A 9 4.993 16.502 19.129 1.00 50.00 H new ATOM 0 HA THR A 9 3.241 14.968 17.499 1.00 50.00 H new ATOM 0 HB THR A 9 2.889 16.389 19.651 1.00 50.00 H new ATOM 0 HG1 THR A 9 0.726 16.944 18.991 1.00 50.00 H new ATOM 0 HG21 THR A 9 2.293 18.764 19.276 1.00 50.00 H new ATOM 0 HG22 THR A 9 3.973 18.441 18.786 1.00 50.00 H new ATOM 0 HG23 THR A 9 2.700 18.595 17.552 1.00 50.00 H new ATOM 142 N TYR A 10 2.449 16.392 15.507 1.00 50.00 N ATOM 143 CA TYR A 10 2.318 17.016 14.160 1.00 50.00 C ATOM 144 C TYR A 10 0.903 16.809 13.615 1.00 50.00 C ATOM 145 O TYR A 10 0.074 16.178 14.238 1.00 50.00 O ATOM 146 CB TYR A 10 3.341 16.289 13.286 1.00 50.00 C ATOM 147 CG TYR A 10 4.400 17.265 12.834 1.00 50.00 C ATOM 148 CD1 TYR A 10 4.035 18.430 12.150 1.00 50.00 C ATOM 149 CD2 TYR A 10 5.750 17.004 13.098 1.00 50.00 C ATOM 150 CE1 TYR A 10 5.018 19.334 11.730 1.00 50.00 C ATOM 151 CE2 TYR A 10 6.733 17.906 12.679 1.00 50.00 C ATOM 152 CZ TYR A 10 6.368 19.072 11.994 1.00 50.00 C ATOM 153 OH TYR A 10 7.338 19.963 11.581 1.00 49.57 O ATOM 0 H TYR A 10 1.697 15.753 15.764 1.00 50.00 H new ATOM 0 HA TYR A 10 2.493 18.092 14.185 1.00 50.00 H new ATOM 0 HB2 TYR A 10 3.798 15.473 13.845 1.00 50.00 H new ATOM 0 HB3 TYR A 10 2.847 15.846 12.421 1.00 50.00 H new ATOM 0 HD1 TYR A 10 2.994 18.632 11.946 1.00 50.00 H new ATOM 0 HD2 TYR A 10 6.032 16.105 13.626 1.00 50.00 H new ATOM 0 HE1 TYR A 10 4.735 20.233 11.203 1.00 50.00 H new ATOM 0 HE2 TYR A 10 7.774 17.704 12.884 1.00 50.00 H new ATOM 0 HH TYR A 10 8.221 19.631 11.845 1.00 49.57 H new ATOM 163 N GLY A 11 0.622 17.336 12.455 1.00 50.00 N ATOM 164 CA GLY A 11 -0.738 17.168 11.870 1.00 50.00 C ATOM 165 C GLY A 11 -0.682 16.162 10.720 1.00 50.00 C ATOM 166 O GLY A 11 0.365 15.897 10.164 1.00 50.00 O ATOM 0 H GLY A 11 1.275 17.876 11.887 1.00 50.00 H new ATOM 0 HA2 GLY A 11 -1.434 16.823 12.635 1.00 50.00 H new ATOM 0 HA3 GLY A 11 -1.111 18.127 11.510 1.00 50.00 H new ATOM 170 N MET A 12 -1.802 15.599 10.359 1.00 50.00 N ATOM 171 CA MET A 12 -1.817 14.608 9.245 1.00 50.00 C ATOM 172 C MET A 12 -2.547 15.195 8.033 1.00 50.00 C ATOM 173 O MET A 12 -3.705 15.552 8.110 1.00 50.00 O ATOM 174 CB MET A 12 -2.580 13.404 9.797 1.00 50.00 C ATOM 175 CG MET A 12 -3.864 13.882 10.478 1.00 50.00 C ATOM 176 SD MET A 12 -5.215 12.740 10.094 1.00 50.00 S ATOM 177 CE MET A 12 -5.575 12.236 11.793 1.00 50.00 C ATOM 0 H MET A 12 -2.709 15.782 10.788 1.00 50.00 H new ATOM 0 HA MET A 12 -0.814 14.338 8.916 1.00 50.00 H new ATOM 0 HB2 MET A 12 -2.820 12.711 8.990 1.00 50.00 H new ATOM 0 HB3 MET A 12 -1.958 12.861 10.509 1.00 50.00 H new ATOM 0 HG2 MET A 12 -3.717 13.938 11.557 1.00 50.00 H new ATOM 0 HG3 MET A 12 -4.116 14.887 10.138 1.00 50.00 H new ATOM 0 HE1 MET A 12 -6.395 11.517 11.793 1.00 50.00 H new ATOM 0 HE2 MET A 12 -4.689 11.777 12.232 1.00 50.00 H new ATOM 0 HE3 MET A 12 -5.859 13.110 12.379 1.00 50.00 H new ATOM 187 N CYS A 13 -1.880 15.300 6.917 1.00 99.99 N ATOM 188 CA CYS A 13 -2.548 15.868 5.711 1.00 99.99 C ATOM 189 C CYS A 13 -2.122 15.114 4.445 1.00 99.99 C ATOM 190 O CYS A 13 -1.027 15.274 3.950 1.00 99.99 O ATOM 191 CB CYS A 13 -2.073 17.326 5.640 1.00 99.99 C ATOM 192 SG CYS A 13 -0.849 17.658 6.938 1.00 99.99 S ATOM 0 H CYS A 13 -0.908 15.019 6.787 1.00 99.99 H new ATOM 0 HA CYS A 13 -3.633 15.787 5.777 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -1.637 17.526 4.661 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -2.924 17.998 5.753 1.00 99.99 H new ATOM 197 N THR A 14 -2.992 14.312 3.903 1.00 99.99 N ATOM 198 CA THR A 14 -2.642 13.569 2.659 1.00 99.99 C ATOM 199 C THR A 14 -3.910 13.061 1.970 1.00 99.99 C ATOM 200 O THR A 14 -3.930 11.992 1.395 1.00 99.99 O ATOM 201 CB THR A 14 -1.772 12.400 3.116 1.00 99.99 C ATOM 202 OG1 THR A 14 -1.178 12.716 4.368 1.00 99.99 O ATOM 203 CG2 THR A 14 -0.678 12.142 2.080 1.00 99.99 C ATOM 0 H THR A 14 -3.929 14.138 4.265 1.00 99.99 H new ATOM 0 HA THR A 14 -2.122 14.200 1.939 1.00 99.99 H new ATOM 0 HB THR A 14 -2.387 11.506 3.221 1.00 99.99 H new ATOM 0 HG1 THR A 14 -1.859 12.677 5.072 1.00 99.99 H new ATOM 0 HG21 THR A 14 -0.057 11.308 2.406 1.00 99.99 H new ATOM 0 HG22 THR A 14 -1.135 11.900 1.120 1.00 99.99 H new ATOM 0 HG23 THR A 14 -0.060 13.034 1.973 1.00 99.99 H new ATOM 211 N GLU A 15 -4.970 13.818 2.026 1.00 99.99 N ATOM 212 CA GLU A 15 -6.237 13.375 1.375 1.00 99.99 C ATOM 213 C GLU A 15 -6.082 13.371 -0.148 1.00 99.99 C ATOM 214 O GLU A 15 -7.023 13.106 -0.871 1.00 99.99 O ATOM 215 CB GLU A 15 -7.282 14.406 1.803 1.00 99.99 C ATOM 216 CG GLU A 15 -8.680 13.902 1.434 1.00 99.99 C ATOM 217 CD GLU A 15 -9.156 14.604 0.161 1.00 99.99 C ATOM 218 OE1 GLU A 15 -8.503 15.547 -0.252 1.00 99.99 O ATOM 219 OE2 GLU A 15 -10.167 14.185 -0.380 1.00 99.99 O ATOM 0 H GLU A 15 -5.015 14.723 2.494 1.00 99.99 H new ATOM 0 HA GLU A 15 -6.516 12.362 1.666 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -7.218 14.579 2.877 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -7.088 15.361 1.314 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -8.661 12.823 1.281 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -9.375 14.096 2.251 1.00 99.99 H new ATOM 226 N LYS A 16 -4.911 13.666 -0.646 1.00 50.00 N ATOM 227 CA LYS A 16 -4.722 13.679 -2.124 1.00 50.00 C ATOM 228 C LYS A 16 -3.942 12.442 -2.585 1.00 50.00 C ATOM 229 O LYS A 16 -2.882 12.550 -3.170 1.00 50.00 O ATOM 230 CB LYS A 16 -3.918 14.950 -2.403 1.00 50.00 C ATOM 231 CG LYS A 16 -4.589 16.144 -1.719 1.00 50.00 C ATOM 232 CD LYS A 16 -5.367 16.955 -2.755 1.00 50.00 C ATOM 233 CE LYS A 16 -4.830 18.387 -2.793 1.00 50.00 C ATOM 234 NZ LYS A 16 -6.023 19.251 -2.576 1.00 50.00 N ATOM 0 H LYS A 16 -4.083 13.897 -0.097 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.673 13.663 -2.657 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -2.898 14.835 -2.037 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -3.853 15.123 -3.477 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -5.261 15.796 -0.934 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -3.837 16.772 -1.240 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -5.273 16.494 -3.738 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -6.428 16.960 -2.506 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -4.080 18.548 -2.019 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -4.353 18.605 -3.749 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -5.735 20.250 -2.589 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -6.717 19.081 -3.332 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -6.452 19.026 -1.656 1.00 50.00 H new ATOM 248 N PHE A 17 -4.464 11.269 -2.345 1.00 50.00 N ATOM 249 CA PHE A 17 -3.756 10.034 -2.791 1.00 50.00 C ATOM 250 C PHE A 17 -4.265 9.625 -4.176 1.00 50.00 C ATOM 251 O PHE A 17 -5.435 9.756 -4.478 1.00 50.00 O ATOM 252 CB PHE A 17 -4.107 8.971 -1.748 1.00 50.00 C ATOM 253 CG PHE A 17 -2.849 8.529 -1.039 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.807 9.440 -0.829 1.00 50.00 C ATOM 255 CD2 PHE A 17 -2.724 7.207 -0.596 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.639 9.030 -0.176 1.00 50.00 C ATOM 257 CE2 PHE A 17 -1.556 6.797 0.060 1.00 50.00 C ATOM 258 CZ PHE A 17 -0.514 7.708 0.269 1.00 50.00 C ATOM 0 H PHE A 17 -5.348 11.113 -1.861 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.678 10.173 -2.870 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.821 9.373 -1.029 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.585 8.118 -2.229 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.904 10.460 -1.171 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -3.527 6.504 -0.760 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.165 9.733 -0.015 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -1.460 5.778 0.404 1.00 50.00 H new ATOM 0 HZ PHE A 17 0.387 7.391 0.774 1.00 50.00 H new ATOM 268 N SER A 18 -3.400 9.141 -5.024 1.00 50.00 N ATOM 269 CA SER A 18 -3.850 8.740 -6.389 1.00 50.00 C ATOM 270 C SER A 18 -3.415 7.306 -6.700 1.00 50.00 C ATOM 271 O SER A 18 -2.292 7.061 -7.092 1.00 50.00 O ATOM 272 CB SER A 18 -3.164 9.723 -7.335 1.00 50.00 C ATOM 273 OG SER A 18 -3.813 9.689 -8.599 1.00 50.00 O ATOM 0 H SER A 18 -2.407 9.006 -4.834 1.00 50.00 H new ATOM 0 HA SER A 18 -4.935 8.766 -6.486 1.00 50.00 H new ATOM 0 HB2 SER A 18 -3.202 10.731 -6.921 1.00 50.00 H new ATOM 0 HB3 SER A 18 -2.111 9.464 -7.447 1.00 50.00 H new ATOM 0 HG SER A 18 -3.376 10.320 -9.208 1.00 50.00 H new ATOM 279 N PHE A 19 -4.296 6.358 -6.536 1.00 50.00 N ATOM 280 CA PHE A 19 -3.927 4.942 -6.831 1.00 50.00 C ATOM 281 C PHE A 19 -3.420 4.826 -8.270 1.00 50.00 C ATOM 282 O PHE A 19 -4.190 4.724 -9.204 1.00 50.00 O ATOM 283 CB PHE A 19 -5.219 4.143 -6.653 1.00 50.00 C ATOM 284 CG PHE A 19 -5.930 4.599 -5.401 1.00 50.00 C ATOM 285 CD1 PHE A 19 -5.437 4.232 -4.143 1.00 50.00 C ATOM 286 CD2 PHE A 19 -7.079 5.392 -5.499 1.00 50.00 C ATOM 287 CE1 PHE A 19 -6.094 4.658 -2.983 1.00 50.00 C ATOM 288 CE2 PHE A 19 -7.736 5.818 -4.337 1.00 50.00 C ATOM 289 CZ PHE A 19 -7.244 5.451 -3.080 1.00 50.00 C ATOM 0 H PHE A 19 -5.253 6.500 -6.212 1.00 50.00 H new ATOM 0 HA PHE A 19 -3.134 4.577 -6.178 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -5.865 4.280 -7.520 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -4.994 3.078 -6.588 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -4.550 3.620 -4.068 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -7.459 5.675 -6.469 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -5.714 4.375 -2.013 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.623 6.430 -4.412 1.00 50.00 H new ATOM 0 HZ PHE A 19 -7.751 5.779 -2.185 1.00 50.00 H new ATOM 299 N ALA A 20 -2.130 4.844 -8.456 1.00 50.00 N ATOM 300 CA ALA A 20 -1.574 4.739 -9.834 1.00 50.00 C ATOM 301 C ALA A 20 -1.474 3.273 -10.261 1.00 50.00 C ATOM 302 O ALA A 20 -1.570 2.951 -11.428 1.00 50.00 O ATOM 303 CB ALA A 20 -0.182 5.367 -9.747 1.00 50.00 C ATOM 0 H ALA A 20 -1.436 4.927 -7.713 1.00 50.00 H new ATOM 0 HA ALA A 20 -2.204 5.238 -10.570 1.00 50.00 H new ATOM 0 HB1 ALA A 20 0.296 5.329 -10.726 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -0.271 6.405 -9.427 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.422 4.815 -9.026 1.00 50.00 H new ATOM 309 N LYS A 21 -1.277 2.380 -9.329 1.00 50.00 N ATOM 310 CA LYS A 21 -1.166 0.941 -9.697 1.00 50.00 C ATOM 311 C LYS A 21 -1.827 0.065 -8.630 1.00 50.00 C ATOM 312 O LYS A 21 -1.790 0.366 -7.454 1.00 50.00 O ATOM 313 CB LYS A 21 0.336 0.668 -9.761 1.00 50.00 C ATOM 314 CG LYS A 21 1.033 1.821 -10.487 1.00 50.00 C ATOM 315 CD LYS A 21 2.412 1.366 -10.968 1.00 50.00 C ATOM 316 CE LYS A 21 3.121 2.532 -11.660 1.00 50.00 C ATOM 317 NZ LYS A 21 2.571 2.549 -13.044 1.00 50.00 N ATOM 0 H LYS A 21 -1.189 2.584 -8.334 1.00 50.00 H new ATOM 0 HA LYS A 21 -1.664 0.716 -10.640 1.00 50.00 H new ATOM 0 HB2 LYS A 21 0.740 0.560 -8.754 1.00 50.00 H new ATOM 0 HB3 LYS A 21 0.524 -0.271 -10.282 1.00 50.00 H new ATOM 0 HG2 LYS A 21 0.431 2.147 -11.335 1.00 50.00 H new ATOM 0 HG3 LYS A 21 1.134 2.677 -9.819 1.00 50.00 H new ATOM 0 HD2 LYS A 21 3.006 1.015 -10.124 1.00 50.00 H new ATOM 0 HD3 LYS A 21 2.310 0.528 -11.657 1.00 50.00 H new ATOM 0 HE2 LYS A 21 2.927 3.473 -11.146 1.00 50.00 H new ATOM 0 HE3 LYS A 21 4.202 2.390 -11.666 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 3.278 2.167 -13.703 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 1.711 1.966 -13.083 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 2.339 3.526 -13.314 1.00 50.00 H new ATOM 331 N ASN A 22 -2.429 -1.021 -9.033 1.00 50.00 N ATOM 332 CA ASN A 22 -3.088 -1.917 -8.042 1.00 50.00 C ATOM 333 C ASN A 22 -2.034 -2.558 -7.137 1.00 50.00 C ATOM 334 O ASN A 22 -0.860 -2.550 -7.449 1.00 50.00 O ATOM 335 CB ASN A 22 -3.797 -2.981 -8.880 1.00 50.00 C ATOM 336 CG ASN A 22 -2.766 -3.959 -9.447 1.00 50.00 C ATOM 337 OD1 ASN A 22 -2.282 -4.824 -8.746 1.00 50.00 O ATOM 338 ND2 ASN A 22 -2.406 -3.856 -10.698 1.00 50.00 N ATOM 0 H ASN A 22 -2.493 -1.326 -10.004 1.00 50.00 H new ATOM 0 HA ASN A 22 -3.783 -1.382 -7.394 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -4.523 -3.516 -8.268 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -4.351 -2.510 -9.692 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -1.719 -4.502 -11.086 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -2.812 -3.129 -11.287 1.00 50.00 H new ATOM 345 N PRO A 23 -2.491 -3.092 -6.039 1.00 50.00 N ATOM 346 CA PRO A 23 -1.575 -3.746 -5.072 1.00 50.00 C ATOM 347 C PRO A 23 -1.064 -5.073 -5.639 1.00 50.00 C ATOM 348 O PRO A 23 -1.818 -5.861 -6.175 1.00 50.00 O ATOM 349 CB PRO A 23 -2.456 -3.978 -3.846 1.00 50.00 C ATOM 350 CG PRO A 23 -3.853 -4.028 -4.379 1.00 50.00 C ATOM 351 CD PRO A 23 -3.889 -3.141 -5.597 1.00 50.00 C ATOM 0 HA PRO A 23 -0.690 -3.151 -4.846 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -2.193 -4.907 -3.341 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -2.339 -3.175 -3.118 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -4.131 -5.050 -4.637 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.565 -3.683 -3.629 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -4.538 -3.551 -6.371 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -4.267 -2.147 -5.357 1.00 50.00 H new ATOM 359 N ALA A 24 0.211 -5.326 -5.528 1.00 50.00 N ATOM 360 CA ALA A 24 0.767 -6.602 -6.065 1.00 50.00 C ATOM 361 C ALA A 24 1.589 -7.315 -4.988 1.00 50.00 C ATOM 362 O ALA A 24 2.009 -6.718 -4.017 1.00 50.00 O ATOM 363 CB ALA A 24 1.660 -6.183 -7.233 1.00 50.00 C ATOM 0 H ALA A 24 0.892 -4.706 -5.089 1.00 50.00 H new ATOM 0 HA ALA A 24 -0.014 -7.295 -6.378 1.00 50.00 H new ATOM 0 HB1 ALA A 24 2.108 -7.068 -7.684 1.00 50.00 H new ATOM 0 HB2 ALA A 24 1.062 -5.659 -7.979 1.00 50.00 H new ATOM 0 HB3 ALA A 24 2.447 -5.522 -6.870 1.00 50.00 H new ATOM 369 N ASP A 25 1.820 -8.590 -5.151 1.00 50.00 N ATOM 370 CA ASP A 25 2.613 -9.340 -4.136 1.00 50.00 C ATOM 371 C ASP A 25 4.087 -9.391 -4.547 1.00 50.00 C ATOM 372 O ASP A 25 4.413 -9.509 -5.711 1.00 50.00 O ATOM 373 CB ASP A 25 2.010 -10.745 -4.122 1.00 50.00 C ATOM 374 CG ASP A 25 2.047 -11.329 -5.536 1.00 50.00 C ATOM 375 OD1 ASP A 25 1.136 -11.048 -6.295 1.00 50.00 O ATOM 376 OD2 ASP A 25 2.986 -12.049 -5.834 1.00 50.00 O ATOM 0 H ASP A 25 1.494 -9.144 -5.943 1.00 50.00 H new ATOM 0 HA ASP A 25 2.575 -8.871 -3.153 1.00 50.00 H new ATOM 0 HB2 ASP A 25 2.567 -11.385 -3.438 1.00 50.00 H new ATOM 0 HB3 ASP A 25 0.983 -10.708 -3.759 1.00 50.00 H new ATOM 381 N THR A 26 4.980 -9.306 -3.600 1.00 50.00 N ATOM 382 CA THR A 26 6.433 -9.353 -3.936 1.00 50.00 C ATOM 383 C THR A 26 7.044 -10.668 -3.450 1.00 50.00 C ATOM 384 O THR A 26 7.863 -11.269 -4.116 1.00 50.00 O ATOM 385 CB THR A 26 7.052 -8.164 -3.197 1.00 50.00 C ATOM 386 OG1 THR A 26 6.021 -7.385 -2.606 1.00 50.00 O ATOM 387 CG2 THR A 26 7.842 -7.303 -4.183 1.00 50.00 C ATOM 0 H THR A 26 4.767 -9.206 -2.607 1.00 50.00 H new ATOM 0 HA THR A 26 6.611 -9.299 -5.010 1.00 50.00 H new ATOM 0 HB THR A 26 7.722 -8.530 -2.419 1.00 50.00 H new ATOM 0 HG1 THR A 26 6.398 -6.834 -1.889 1.00 50.00 H new ATOM 0 HG21 THR A 26 8.282 -6.457 -3.656 1.00 50.00 H new ATOM 0 HG22 THR A 26 8.634 -7.901 -4.635 1.00 50.00 H new ATOM 0 HG23 THR A 26 7.174 -6.937 -4.963 1.00 50.00 H new ATOM 395 N GLY A 27 6.650 -11.122 -2.291 1.00 50.00 N ATOM 396 CA GLY A 27 7.204 -12.400 -1.761 1.00 50.00 C ATOM 397 C GLY A 27 6.101 -13.168 -1.031 1.00 50.00 C ATOM 398 O GLY A 27 5.225 -13.748 -1.641 1.00 50.00 O ATOM 0 H GLY A 27 5.968 -10.662 -1.688 1.00 50.00 H new ATOM 0 HA2 GLY A 27 7.603 -13.002 -2.577 1.00 50.00 H new ATOM 0 HA3 GLY A 27 8.031 -12.196 -1.081 1.00 50.00 H new ATOM 402 N HIS A 28 6.135 -13.178 0.274 1.00 50.00 N ATOM 403 CA HIS A 28 5.086 -13.908 1.043 1.00 50.00 C ATOM 404 C HIS A 28 4.493 -13.000 2.124 1.00 50.00 C ATOM 405 O HIS A 28 5.049 -12.848 3.194 1.00 50.00 O ATOM 406 CB HIS A 28 5.812 -15.096 1.676 1.00 50.00 C ATOM 407 CG HIS A 28 4.814 -15.968 2.388 1.00 50.00 C ATOM 408 ND1 HIS A 28 3.465 -15.958 2.073 1.00 50.00 N ATOM 409 CD2 HIS A 28 4.955 -16.883 3.403 1.00 50.00 C ATOM 410 CE1 HIS A 28 2.853 -16.840 2.883 1.00 50.00 C ATOM 411 NE2 HIS A 28 3.715 -17.431 3.714 1.00 50.00 N ATOM 0 H HIS A 28 6.844 -12.712 0.841 1.00 50.00 H new ATOM 0 HA HIS A 28 4.258 -14.228 0.410 1.00 50.00 H new ATOM 0 HB2 HIS A 28 6.331 -15.670 0.909 1.00 50.00 H new ATOM 0 HB3 HIS A 28 6.569 -14.743 2.377 1.00 50.00 H new ATOM 0 HD2 HIS A 28 5.887 -17.138 3.886 1.00 50.00 H new ATOM 0 HE1 HIS A 28 1.793 -17.045 2.864 1.00 50.00 H new ATOM 0 HE2 HIS A 28 3.509 -18.133 4.424 1.00 50.00 H new ATOM 419 N GLY A 29 3.367 -12.398 1.854 1.00 50.00 N ATOM 420 CA GLY A 29 2.740 -11.502 2.866 1.00 50.00 C ATOM 421 C GLY A 29 3.206 -10.062 2.638 1.00 50.00 C ATOM 422 O GLY A 29 3.307 -9.279 3.562 1.00 50.00 O ATOM 0 H GLY A 29 2.854 -12.488 0.977 1.00 50.00 H new ATOM 0 HA2 GLY A 29 1.654 -11.559 2.793 1.00 50.00 H new ATOM 0 HA3 GLY A 29 3.010 -11.827 3.871 1.00 50.00 H new ATOM 426 N THR A 30 3.493 -9.707 1.415 1.00 50.00 N ATOM 427 CA THR A 30 3.955 -8.316 1.132 1.00 50.00 C ATOM 428 C THR A 30 3.227 -7.751 -0.092 1.00 50.00 C ATOM 429 O THR A 30 3.388 -8.231 -1.197 1.00 50.00 O ATOM 430 CB THR A 30 5.452 -8.447 0.852 1.00 50.00 C ATOM 431 OG1 THR A 30 5.655 -9.391 -0.190 1.00 50.00 O ATOM 432 CG2 THR A 30 6.172 -8.918 2.118 1.00 50.00 C ATOM 0 H THR A 30 3.428 -10.318 0.601 1.00 50.00 H new ATOM 0 HA THR A 30 3.751 -7.638 1.961 1.00 50.00 H new ATOM 0 HB THR A 30 5.852 -7.479 0.550 1.00 50.00 H new ATOM 0 HG1 THR A 30 4.875 -9.396 -0.784 1.00 50.00 H new ATOM 0 HG21 THR A 30 7.239 -9.011 1.916 1.00 50.00 H new ATOM 0 HG22 THR A 30 6.015 -8.193 2.917 1.00 50.00 H new ATOM 0 HG23 THR A 30 5.775 -9.886 2.424 1.00 50.00 H new ATOM 440 N VAL A 31 2.432 -6.733 0.096 1.00 50.00 N ATOM 441 CA VAL A 31 1.702 -6.137 -1.051 1.00 50.00 C ATOM 442 C VAL A 31 2.250 -4.740 -1.348 1.00 50.00 C ATOM 443 O VAL A 31 2.300 -3.888 -0.485 1.00 50.00 O ATOM 444 CB VAL A 31 0.243 -6.065 -0.600 1.00 50.00 C ATOM 445 CG1 VAL A 31 -0.623 -5.553 -1.753 1.00 50.00 C ATOM 446 CG2 VAL A 31 -0.229 -7.462 -0.189 1.00 50.00 C ATOM 0 H VAL A 31 2.258 -6.290 0.998 1.00 50.00 H new ATOM 0 HA VAL A 31 1.811 -6.721 -1.965 1.00 50.00 H new ATOM 0 HB VAL A 31 0.156 -5.386 0.248 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -1.663 -5.502 -1.432 1.00 50.00 H new ATOM 0 HG12 VAL A 31 -0.285 -4.560 -2.049 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -0.538 -6.232 -2.601 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -1.269 -7.414 0.133 1.00 50.00 H new ATOM 0 HG22 VAL A 31 -0.143 -8.140 -1.038 1.00 50.00 H new ATOM 0 HG23 VAL A 31 0.389 -7.828 0.631 1.00 50.00 H new ATOM 456 N VAL A 32 2.667 -4.500 -2.560 1.00 50.00 N ATOM 457 CA VAL A 32 3.219 -3.157 -2.902 1.00 50.00 C ATOM 458 C VAL A 32 2.239 -2.385 -3.791 1.00 50.00 C ATOM 459 O VAL A 32 1.471 -2.961 -4.535 1.00 50.00 O ATOM 460 CB VAL A 32 4.520 -3.440 -3.655 1.00 50.00 C ATOM 461 CG1 VAL A 32 5.445 -2.227 -3.543 1.00 50.00 C ATOM 462 CG2 VAL A 32 5.212 -4.662 -3.044 1.00 50.00 C ATOM 0 H VAL A 32 2.650 -5.172 -3.327 1.00 50.00 H new ATOM 0 HA VAL A 32 3.386 -2.546 -2.015 1.00 50.00 H new ATOM 0 HB VAL A 32 4.296 -3.636 -4.704 1.00 50.00 H new ATOM 0 HG11 VAL A 32 6.373 -2.426 -4.079 1.00 50.00 H new ATOM 0 HG12 VAL A 32 4.956 -1.355 -3.977 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.667 -2.034 -2.493 1.00 50.00 H new ATOM 0 HG21 VAL A 32 6.139 -4.862 -3.582 1.00 50.00 H new ATOM 0 HG22 VAL A 32 5.436 -4.467 -1.995 1.00 50.00 H new ATOM 0 HG23 VAL A 32 4.554 -5.528 -3.119 1.00 50.00 H new ATOM 472 N ILE A 33 2.268 -1.083 -3.718 1.00 50.00 N ATOM 473 CA ILE A 33 1.348 -0.260 -4.556 1.00 50.00 C ATOM 474 C ILE A 33 2.005 1.084 -4.866 1.00 50.00 C ATOM 475 O ILE A 33 3.001 1.449 -4.271 1.00 50.00 O ATOM 476 CB ILE A 33 0.097 -0.065 -3.700 1.00 50.00 C ATOM 477 CG1 ILE A 33 -0.855 0.905 -4.406 1.00 50.00 C ATOM 478 CG2 ILE A 33 0.493 0.511 -2.340 1.00 50.00 C ATOM 479 CD1 ILE A 33 -2.268 0.729 -3.849 1.00 50.00 C ATOM 0 H ILE A 33 2.892 -0.550 -3.112 1.00 50.00 H new ATOM 0 HA ILE A 33 1.111 -0.733 -5.509 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.399 -1.025 -3.557 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -0.520 1.932 -4.259 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -0.850 0.719 -5.480 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.399 0.650 -1.730 1.00 50.00 H new ATOM 0 HG22 ILE A 33 1.173 -0.177 -1.837 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.989 1.471 -2.482 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -2.946 1.419 -4.351 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -2.601 -0.295 -4.019 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -2.266 0.937 -2.779 1.00 50.00 H new ATOM 491 N GLU A 34 1.466 1.823 -5.792 1.00 50.00 N ATOM 492 CA GLU A 34 2.078 3.138 -6.131 1.00 50.00 C ATOM 493 C GLU A 34 0.999 4.211 -6.295 1.00 50.00 C ATOM 494 O GLU A 34 0.315 4.267 -7.296 1.00 50.00 O ATOM 495 CB GLU A 34 2.806 2.904 -7.455 1.00 50.00 C ATOM 496 CG GLU A 34 3.954 3.906 -7.590 1.00 50.00 C ATOM 497 CD GLU A 34 5.205 3.341 -6.915 1.00 50.00 C ATOM 498 OE1 GLU A 34 5.364 2.131 -6.925 1.00 50.00 O ATOM 499 OE2 GLU A 34 5.984 4.127 -6.400 1.00 50.00 O ATOM 0 H GLU A 34 0.633 1.577 -6.327 1.00 50.00 H new ATOM 0 HA GLU A 34 2.750 3.490 -5.348 1.00 50.00 H new ATOM 0 HB2 GLU A 34 3.192 1.885 -7.495 1.00 50.00 H new ATOM 0 HB3 GLU A 34 2.112 3.015 -8.288 1.00 50.00 H new ATOM 0 HG2 GLU A 34 4.154 4.106 -8.643 1.00 50.00 H new ATOM 0 HG3 GLU A 34 3.678 4.856 -7.132 1.00 50.00 H new ATOM 506 N LEU A 35 0.851 5.072 -5.324 1.00 50.00 N ATOM 507 CA LEU A 35 -0.175 6.150 -5.434 1.00 50.00 C ATOM 508 C LEU A 35 0.518 7.510 -5.501 1.00 50.00 C ATOM 509 O LEU A 35 1.452 7.773 -4.774 1.00 50.00 O ATOM 510 CB LEU A 35 -1.023 6.044 -4.166 1.00 50.00 C ATOM 511 CG LEU A 35 -1.194 4.574 -3.782 1.00 50.00 C ATOM 512 CD1 LEU A 35 -0.007 4.137 -2.929 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.488 4.402 -2.984 1.00 50.00 C ATOM 0 H LEU A 35 1.395 5.076 -4.461 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.787 6.047 -6.330 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.546 6.590 -3.352 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -1.998 6.503 -4.330 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.242 3.963 -4.683 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.124 3.089 -2.652 1.00 50.00 H new ATOM 0 HD12 LEU A 35 0.915 4.262 -3.497 1.00 50.00 H new ATOM 0 HD13 LEU A 35 0.037 4.748 -2.027 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.610 3.354 -2.710 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.442 5.010 -2.081 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.335 4.719 -3.592 1.00 50.00 H new ATOM 525 N SER A 36 0.072 8.378 -6.363 1.00 50.00 N ATOM 526 CA SER A 36 0.711 9.708 -6.471 1.00 50.00 C ATOM 527 C SER A 36 0.089 10.661 -5.462 1.00 50.00 C ATOM 528 O SER A 36 -1.115 10.831 -5.418 1.00 50.00 O ATOM 529 CB SER A 36 0.427 10.173 -7.899 1.00 50.00 C ATOM 530 OG SER A 36 0.669 9.100 -8.797 1.00 50.00 O ATOM 0 H SER A 36 -0.710 8.219 -6.998 1.00 50.00 H new ATOM 0 HA SER A 36 1.781 9.675 -6.265 1.00 50.00 H new ATOM 0 HB2 SER A 36 -0.606 10.509 -7.986 1.00 50.00 H new ATOM 0 HB3 SER A 36 1.061 11.023 -8.150 1.00 50.00 H new ATOM 0 HG SER A 36 0.486 9.393 -9.714 1.00 50.00 H new ATOM 536 N TYR A 37 0.887 11.287 -4.647 1.00 50.00 N ATOM 537 CA TYR A 37 0.310 12.224 -3.653 1.00 50.00 C ATOM 538 C TYR A 37 0.308 13.642 -4.227 1.00 50.00 C ATOM 539 O TYR A 37 1.326 14.305 -4.273 1.00 50.00 O ATOM 540 CB TYR A 37 1.219 12.127 -2.426 1.00 50.00 C ATOM 541 CG TYR A 37 1.059 13.365 -1.578 1.00 50.00 C ATOM 542 CD1 TYR A 37 -0.176 13.653 -0.984 1.00 50.00 C ATOM 543 CD2 TYR A 37 2.146 14.227 -1.384 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.325 14.802 -0.198 1.00 50.00 C ATOM 545 CE2 TYR A 37 1.998 15.376 -0.598 1.00 50.00 C ATOM 546 CZ TYR A 37 0.762 15.663 -0.005 1.00 50.00 C ATOM 547 OH TYR A 37 0.616 16.795 0.771 1.00 49.57 O ATOM 0 H TYR A 37 1.902 11.191 -4.627 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.721 11.981 -3.397 1.00 50.00 H new ATOM 0 HB2 TYR A 37 0.968 11.240 -1.844 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.258 12.020 -2.738 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -1.014 12.988 -1.132 1.00 50.00 H new ATOM 0 HD2 TYR A 37 3.099 14.005 -1.841 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -1.278 15.024 0.259 1.00 50.00 H new ATOM 0 HE2 TYR A 37 2.836 16.041 -0.449 1.00 50.00 H new ATOM 0 HH TYR A 37 1.457 17.298 0.777 1.00 49.57 H new ATOM 557 N SER A 38 -0.825 14.108 -4.674 1.00 50.00 N ATOM 558 CA SER A 38 -0.893 15.471 -5.254 1.00 50.00 C ATOM 559 C SER A 38 -1.361 16.470 -4.197 1.00 50.00 C ATOM 560 O SER A 38 -2.460 16.984 -4.257 1.00 50.00 O ATOM 561 CB SER A 38 -1.912 15.370 -6.388 1.00 50.00 C ATOM 562 OG SER A 38 -1.247 15.536 -7.633 1.00 50.00 O ATOM 0 H SER A 38 -1.708 13.598 -4.661 1.00 50.00 H new ATOM 0 HA SER A 38 0.077 15.818 -5.610 1.00 50.00 H new ATOM 0 HB2 SER A 38 -2.414 14.403 -6.357 1.00 50.00 H new ATOM 0 HB3 SER A 38 -2.682 16.132 -6.269 1.00 50.00 H new ATOM 0 HG SER A 38 -1.898 15.470 -8.363 1.00 50.00 H new ATOM 568 N GLY A 39 -0.537 16.745 -3.228 1.00 99.99 N ATOM 569 CA GLY A 39 -0.936 17.705 -2.166 1.00 99.99 C ATOM 570 C GLY A 39 -0.022 18.931 -2.215 1.00 99.99 C ATOM 571 O GLY A 39 1.185 18.823 -2.122 1.00 99.99 O ATOM 0 H GLY A 39 0.396 16.346 -3.126 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -1.974 18.007 -2.305 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -0.871 17.229 -1.188 1.00 99.99 H new ATOM 575 N SER A 40 -0.588 20.098 -2.363 1.00 99.99 N ATOM 576 CA SER A 40 0.249 21.332 -2.424 1.00 99.99 C ATOM 577 C SER A 40 0.619 21.795 -1.012 1.00 99.99 C ATOM 578 O SER A 40 1.105 22.891 -0.817 1.00 99.99 O ATOM 579 CB SER A 40 -0.631 22.373 -3.114 1.00 99.99 C ATOM 580 OG SER A 40 -1.170 23.255 -2.139 1.00 99.99 O ATOM 0 H SER A 40 -1.593 20.251 -2.444 1.00 99.99 H new ATOM 0 HA SER A 40 1.185 21.168 -2.958 1.00 99.99 H new ATOM 0 HB2 SER A 40 -0.047 22.933 -3.844 1.00 99.99 H new ATOM 0 HB3 SER A 40 -1.436 21.881 -3.660 1.00 99.99 H new ATOM 0 HG SER A 40 -1.734 23.925 -2.580 1.00 99.99 H new ATOM 586 N ASP A 41 0.396 20.969 -0.027 1.00 99.99 N ATOM 587 CA ASP A 41 0.740 21.366 1.366 1.00 99.99 C ATOM 588 C ASP A 41 2.103 20.788 1.754 1.00 99.99 C ATOM 589 O ASP A 41 2.600 21.014 2.839 1.00 99.99 O ATOM 590 CB ASP A 41 -0.366 20.766 2.234 1.00 99.99 C ATOM 591 CG ASP A 41 -1.710 21.383 1.846 1.00 99.99 C ATOM 592 OD1 ASP A 41 -1.984 21.460 0.660 1.00 99.99 O ATOM 593 OD2 ASP A 41 -2.444 21.770 2.742 1.00 99.99 O ATOM 0 H ASP A 41 -0.009 20.038 -0.127 1.00 99.99 H new ATOM 0 HA ASP A 41 0.807 22.447 1.485 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -0.399 19.684 2.103 1.00 99.99 H new ATOM 0 HB3 ASP A 41 -0.158 20.954 3.287 1.00 99.99 H new ATOM 598 N GLY A 42 2.712 20.044 0.870 1.00 99.99 N ATOM 599 CA GLY A 42 4.043 19.452 1.183 1.00 99.99 C ATOM 600 C GLY A 42 3.852 18.067 1.803 1.00 99.99 C ATOM 601 O GLY A 42 2.836 17.432 1.603 1.00 99.99 O ATOM 0 H GLY A 42 2.345 19.821 -0.055 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.642 19.376 0.275 1.00 99.99 H new ATOM 0 HA3 GLY A 42 4.588 20.098 1.871 1.00 99.99 H new ATOM 605 N PRO A 43 4.842 17.647 2.541 1.00 99.99 N ATOM 606 CA PRO A 43 4.789 16.321 3.205 1.00 99.99 C ATOM 607 C PRO A 43 3.783 16.343 4.359 1.00 99.99 C ATOM 608 O PRO A 43 3.540 17.366 4.966 1.00 99.99 O ATOM 609 CB PRO A 43 6.213 16.120 3.717 1.00 99.99 C ATOM 610 CG PRO A 43 6.771 17.498 3.861 1.00 99.99 C ATOM 611 CD PRO A 43 6.094 18.358 2.826 1.00 99.99 C ATOM 0 HA PRO A 43 4.467 15.518 2.542 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.219 15.591 4.670 1.00 99.99 H new ATOM 0 HB3 PRO A 43 6.803 15.526 3.019 1.00 99.99 H new ATOM 0 HG2 PRO A 43 6.588 17.885 4.863 1.00 99.99 H new ATOM 0 HG3 PRO A 43 7.851 17.494 3.713 1.00 99.99 H new ATOM 0 HD2 PRO A 43 5.906 19.363 3.203 1.00 99.99 H new ATOM 0 HD3 PRO A 43 6.707 18.463 1.931 1.00 99.99 H new ATOM 619 N CYS A 44 3.188 15.220 4.658 1.00 50.00 N ATOM 620 CA CYS A 44 2.189 15.173 5.764 1.00 50.00 C ATOM 621 C CYS A 44 1.811 13.721 6.068 1.00 50.00 C ATOM 622 O CYS A 44 2.046 12.831 5.275 1.00 50.00 O ATOM 623 CB CYS A 44 0.981 15.945 5.237 1.00 50.00 C ATOM 624 SG CYS A 44 0.933 17.593 5.986 1.00 50.00 S ATOM 0 H CYS A 44 3.351 14.332 4.183 1.00 50.00 H new ATOM 0 HA CYS A 44 2.572 15.602 6.690 1.00 50.00 H new ATOM 0 HB2 CYS A 44 1.037 16.030 4.152 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.063 15.404 5.467 1.00 50.00 H new ATOM 629 N LYS A 45 1.229 13.471 7.209 1.00 50.00 N ATOM 630 CA LYS A 45 0.842 12.072 7.555 1.00 50.00 C ATOM 631 C LYS A 45 -0.369 11.641 6.722 1.00 50.00 C ATOM 632 O LYS A 45 -1.346 12.355 6.621 1.00 50.00 O ATOM 633 CB LYS A 45 0.488 12.106 9.045 1.00 50.00 C ATOM 634 CG LYS A 45 1.496 12.981 9.800 1.00 50.00 C ATOM 635 CD LYS A 45 2.917 12.650 9.338 1.00 50.00 C ATOM 636 CE LYS A 45 3.897 13.665 9.933 1.00 50.00 C ATOM 637 NZ LYS A 45 5.181 13.423 9.218 1.00 50.00 N ATOM 0 H LYS A 45 1.005 14.172 7.915 1.00 50.00 H new ATOM 0 HA LYS A 45 1.642 11.361 7.348 1.00 50.00 H new ATOM 0 HB2 LYS A 45 -0.520 12.498 9.180 1.00 50.00 H new ATOM 0 HB3 LYS A 45 0.494 11.095 9.452 1.00 50.00 H new ATOM 0 HG2 LYS A 45 1.282 14.035 9.622 1.00 50.00 H new ATOM 0 HG3 LYS A 45 1.404 12.814 10.873 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.187 11.641 9.651 1.00 50.00 H new ATOM 0 HD3 LYS A 45 2.971 12.671 8.250 1.00 50.00 H new ATOM 0 HE2 LYS A 45 3.548 14.686 9.783 1.00 50.00 H new ATOM 0 HE3 LYS A 45 4.010 13.522 11.008 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 5.904 14.082 9.571 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 5.492 12.445 9.385 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 5.044 13.573 8.198 1.00 50.00 H new ATOM 651 N ILE A 46 -0.312 10.482 6.120 1.00 50.00 N ATOM 652 CA ILE A 46 -1.459 10.013 5.286 1.00 50.00 C ATOM 653 C ILE A 46 -2.459 9.225 6.138 1.00 50.00 C ATOM 654 O ILE A 46 -2.182 8.119 6.557 1.00 50.00 O ATOM 655 CB ILE A 46 -0.840 9.109 4.217 1.00 50.00 C ATOM 656 CG1 ILE A 46 0.522 9.667 3.795 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.765 9.053 2.997 1.00 50.00 C ATOM 658 CD1 ILE A 46 1.032 8.900 2.575 1.00 50.00 C ATOM 0 H ILE A 46 0.479 9.840 6.169 1.00 50.00 H new ATOM 0 HA ILE A 46 -2.007 10.847 4.847 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.711 8.106 4.625 1.00 50.00 H new ATOM 0 HG12 ILE A 46 0.435 10.728 3.561 1.00 50.00 H new ATOM 0 HG13 ILE A 46 1.233 9.579 4.616 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -1.324 8.409 2.236 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.735 8.653 3.294 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -1.895 10.057 2.593 1.00 50.00 H new ATOM 0 HD11 ILE A 46 2.002 9.297 2.275 1.00 50.00 H new ATOM 0 HD12 ILE A 46 1.134 7.844 2.826 1.00 50.00 H new ATOM 0 HD13 ILE A 46 0.324 9.011 1.754 1.00 50.00 H new ATOM 670 N PRO A 47 -3.596 9.827 6.358 1.00 50.00 N ATOM 671 CA PRO A 47 -4.659 9.180 7.159 1.00 50.00 C ATOM 672 C PRO A 47 -5.412 8.155 6.306 1.00 50.00 C ATOM 673 O PRO A 47 -6.568 8.338 5.977 1.00 50.00 O ATOM 674 CB PRO A 47 -5.572 10.340 7.541 1.00 50.00 C ATOM 675 CG PRO A 47 -5.362 11.377 6.481 1.00 50.00 C ATOM 676 CD PRO A 47 -3.991 11.158 5.887 1.00 50.00 C ATOM 0 HA PRO A 47 -4.278 8.640 8.026 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -6.614 10.023 7.580 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -5.320 10.730 8.527 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -6.129 11.297 5.711 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -5.439 12.378 6.905 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -4.018 11.202 4.798 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -3.288 11.922 6.219 1.00 50.00 H new ATOM 684 N ILE A 48 -4.768 7.080 5.941 1.00 50.00 N ATOM 685 CA ILE A 48 -5.454 6.052 5.107 1.00 50.00 C ATOM 686 C ILE A 48 -5.670 4.772 5.916 1.00 50.00 C ATOM 687 O ILE A 48 -4.862 4.406 6.747 1.00 50.00 O ATOM 688 CB ILE A 48 -4.506 5.798 3.932 1.00 50.00 C ATOM 689 CG1 ILE A 48 -4.732 6.862 2.858 1.00 50.00 C ATOM 690 CG2 ILE A 48 -4.781 4.414 3.339 1.00 50.00 C ATOM 691 CD1 ILE A 48 -4.436 8.246 3.438 1.00 50.00 C ATOM 0 H ILE A 48 -3.800 6.869 6.183 1.00 50.00 H new ATOM 0 HA ILE A 48 -6.437 6.380 4.771 1.00 50.00 H new ATOM 0 HB ILE A 48 -3.475 5.844 4.283 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -4.087 6.670 2.000 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -5.760 6.819 2.500 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -4.105 4.236 2.503 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -4.622 3.653 4.103 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.812 4.367 2.988 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -4.597 9.004 2.671 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -5.099 8.436 4.282 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -3.400 8.285 3.775 1.00 50.00 H new ATOM 703 N VAL A 49 -6.754 4.088 5.677 1.00 50.00 N ATOM 704 CA VAL A 49 -7.023 2.831 6.429 1.00 50.00 C ATOM 705 C VAL A 49 -7.084 1.644 5.465 1.00 50.00 C ATOM 706 O VAL A 49 -7.642 1.735 4.389 1.00 50.00 O ATOM 707 CB VAL A 49 -8.380 3.051 7.097 1.00 50.00 C ATOM 708 CG1 VAL A 49 -8.295 4.246 8.046 1.00 50.00 C ATOM 709 CG2 VAL A 49 -9.436 3.326 6.023 1.00 50.00 C ATOM 0 H VAL A 49 -7.466 4.345 4.993 1.00 50.00 H new ATOM 0 HA VAL A 49 -6.243 2.609 7.157 1.00 50.00 H new ATOM 0 HB VAL A 49 -8.656 2.160 7.661 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -9.263 4.402 8.522 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -7.542 4.051 8.810 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -8.019 5.138 7.484 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -10.405 3.483 6.497 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -9.159 4.217 5.460 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -9.497 2.474 5.346 1.00 50.00 H new ATOM 719 N SER A 50 -6.519 0.531 5.844 1.00 50.00 N ATOM 720 CA SER A 50 -6.548 -0.660 4.951 1.00 50.00 C ATOM 721 C SER A 50 -7.263 -1.816 5.652 1.00 50.00 C ATOM 722 O SER A 50 -6.697 -2.492 6.488 1.00 50.00 O ATOM 723 CB SER A 50 -5.081 -1.007 4.704 1.00 50.00 C ATOM 724 OG SER A 50 -4.775 -0.809 3.329 1.00 50.00 O ATOM 0 H SER A 50 -6.039 0.395 6.734 1.00 50.00 H new ATOM 0 HA SER A 50 -7.081 -0.470 4.019 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.438 -0.383 5.325 1.00 50.00 H new ATOM 0 HB3 SER A 50 -4.888 -2.042 4.986 1.00 50.00 H new ATOM 0 HG SER A 50 -3.955 -1.296 3.103 1.00 50.00 H new ATOM 730 N VAL A 51 -8.504 -2.045 5.322 1.00 50.00 N ATOM 731 CA VAL A 51 -9.250 -3.154 5.977 1.00 50.00 C ATOM 732 C VAL A 51 -9.801 -4.117 4.924 1.00 50.00 C ATOM 733 O VAL A 51 -9.942 -3.773 3.767 1.00 50.00 O ATOM 734 CB VAL A 51 -10.392 -2.473 6.730 1.00 50.00 C ATOM 735 CG1 VAL A 51 -9.818 -1.560 7.815 1.00 50.00 C ATOM 736 CG2 VAL A 51 -11.222 -1.638 5.752 1.00 50.00 C ATOM 0 H VAL A 51 -9.032 -1.514 4.629 1.00 50.00 H new ATOM 0 HA VAL A 51 -8.616 -3.741 6.642 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.024 -3.232 7.190 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -10.634 -1.075 8.351 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -9.226 -2.152 8.513 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -9.185 -0.802 7.355 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -12.037 -1.152 6.289 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -10.588 -0.880 5.292 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -11.633 -2.286 4.978 1.00 50.00 H new ATOM 746 N ALA A 52 -10.116 -5.318 5.318 1.00 50.00 N ATOM 747 CA ALA A 52 -10.663 -6.304 4.344 1.00 50.00 C ATOM 748 C ALA A 52 -11.914 -5.731 3.675 1.00 50.00 C ATOM 749 O ALA A 52 -12.492 -4.771 4.142 1.00 50.00 O ATOM 750 CB ALA A 52 -11.014 -7.535 5.179 1.00 50.00 C ATOM 0 H ALA A 52 -10.018 -5.661 6.274 1.00 50.00 H new ATOM 0 HA ALA A 52 -9.955 -6.544 3.550 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -11.425 -8.309 4.531 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -10.116 -7.911 5.669 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -11.752 -7.264 5.934 1.00 50.00 H new ATOM 756 N SER A 53 -12.335 -6.305 2.583 1.00 50.00 N ATOM 757 CA SER A 53 -13.548 -5.779 1.896 1.00 50.00 C ATOM 758 C SER A 53 -14.803 -6.152 2.689 1.00 50.00 C ATOM 759 O SER A 53 -15.245 -7.282 2.658 1.00 50.00 O ATOM 760 CB SER A 53 -13.556 -6.457 0.526 1.00 50.00 C ATOM 761 OG SER A 53 -12.810 -5.668 -0.392 1.00 50.00 O ATOM 0 H SER A 53 -11.895 -7.111 2.138 1.00 50.00 H new ATOM 0 HA SER A 53 -13.536 -4.693 1.809 1.00 50.00 H new ATOM 0 HB2 SER A 53 -13.125 -7.456 0.599 1.00 50.00 H new ATOM 0 HB3 SER A 53 -14.580 -6.577 0.172 1.00 50.00 H new ATOM 0 HG SER A 53 -12.669 -4.774 -0.016 1.00 50.00 H new ATOM 767 N LEU A 54 -15.369 -5.197 3.390 1.00 50.00 N ATOM 768 CA LEU A 54 -16.610 -5.439 4.207 1.00 50.00 C ATOM 769 C LEU A 54 -16.330 -5.196 5.693 1.00 50.00 C ATOM 770 O LEU A 54 -17.060 -5.650 6.552 1.00 50.00 O ATOM 771 CB LEU A 54 -17.022 -6.896 3.983 1.00 50.00 C ATOM 772 CG LEU A 54 -18.311 -7.182 4.755 1.00 50.00 C ATOM 773 CD1 LEU A 54 -19.418 -7.574 3.774 1.00 50.00 C ATOM 774 CD2 LEU A 54 -18.072 -8.330 5.738 1.00 50.00 C ATOM 0 H LEU A 54 -15.018 -4.240 3.433 1.00 50.00 H new ATOM 0 HA LEU A 54 -17.405 -4.758 3.904 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -17.172 -7.084 2.920 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -16.229 -7.565 4.316 1.00 50.00 H new ATOM 0 HG LEU A 54 -18.611 -6.289 5.303 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -20.337 -7.778 4.324 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -19.589 -6.757 3.073 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -19.118 -8.467 3.225 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -18.990 -8.535 6.289 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -17.772 -9.222 5.189 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -17.284 -8.052 6.438 1.00 50.00 H new ATOM 786 N ASN A 55 -15.287 -4.476 6.009 1.00 50.00 N ATOM 787 CA ASN A 55 -14.985 -4.204 7.444 1.00 50.00 C ATOM 788 C ASN A 55 -14.558 -2.748 7.630 1.00 50.00 C ATOM 789 O ASN A 55 -13.385 -2.431 7.653 1.00 50.00 O ATOM 790 CB ASN A 55 -13.835 -5.145 7.798 1.00 50.00 C ATOM 791 CG ASN A 55 -14.002 -5.638 9.236 1.00 50.00 C ATOM 792 OD1 ASN A 55 -13.679 -6.769 9.544 1.00 50.00 O ATOM 793 ND2 ASN A 55 -14.496 -4.833 10.136 1.00 50.00 N ATOM 0 H ASN A 55 -14.635 -4.067 5.340 1.00 50.00 H new ATOM 0 HA ASN A 55 -15.854 -4.365 8.082 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -13.820 -5.992 7.112 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -12.882 -4.628 7.688 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -14.611 -5.152 11.098 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -14.767 -3.884 9.878 1.00 50.00 H new ATOM 800 N ASP A 56 -15.502 -1.859 7.772 1.00 50.00 N ATOM 801 CA ASP A 56 -15.149 -0.426 7.967 1.00 50.00 C ATOM 802 C ASP A 56 -15.161 -0.090 9.458 1.00 50.00 C ATOM 803 O ASP A 56 -15.168 1.061 9.847 1.00 50.00 O ATOM 804 CB ASP A 56 -16.238 0.356 7.230 1.00 50.00 C ATOM 805 CG ASP A 56 -15.972 0.310 5.725 1.00 50.00 C ATOM 806 OD1 ASP A 56 -16.174 -0.740 5.139 1.00 50.00 O ATOM 807 OD2 ASP A 56 -15.569 1.326 5.183 1.00 50.00 O ATOM 0 H ASP A 56 -16.501 -2.063 7.761 1.00 50.00 H new ATOM 0 HA ASP A 56 -14.155 -0.185 7.590 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -17.217 -0.069 7.450 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -16.255 1.390 7.575 1.00 50.00 H new ATOM 812 N MET A 57 -15.166 -1.090 10.297 1.00 50.00 N ATOM 813 CA MET A 57 -15.183 -0.830 11.767 1.00 50.00 C ATOM 814 C MET A 57 -14.030 -1.567 12.452 1.00 50.00 C ATOM 815 O MET A 57 -13.712 -1.316 13.597 1.00 50.00 O ATOM 816 CB MET A 57 -16.527 -1.375 12.252 1.00 50.00 C ATOM 817 CG MET A 57 -16.881 -0.738 13.597 1.00 50.00 C ATOM 818 SD MET A 57 -18.308 -1.592 14.311 1.00 50.00 S ATOM 819 CE MET A 57 -19.326 -0.125 14.605 1.00 50.00 C ATOM 0 H MET A 57 -15.159 -2.074 10.030 1.00 50.00 H new ATOM 0 HA MET A 57 -15.064 0.229 11.997 1.00 50.00 H new ATOM 0 HB2 MET A 57 -17.305 -1.159 11.519 1.00 50.00 H new ATOM 0 HB3 MET A 57 -16.477 -2.459 12.353 1.00 50.00 H new ATOM 0 HG2 MET A 57 -16.030 -0.799 14.276 1.00 50.00 H new ATOM 0 HG3 MET A 57 -17.106 0.320 13.463 1.00 50.00 H new ATOM 0 HE1 MET A 57 -20.274 -0.424 15.052 1.00 50.00 H new ATOM 0 HE2 MET A 57 -18.803 0.551 15.282 1.00 50.00 H new ATOM 0 HE3 MET A 57 -19.514 0.383 13.659 1.00 50.00 H new ATOM 829 N THR A 58 -13.401 -2.475 11.759 1.00 50.00 N ATOM 830 CA THR A 58 -12.270 -3.227 12.373 1.00 50.00 C ATOM 831 C THR A 58 -11.041 -3.174 11.460 1.00 50.00 C ATOM 832 O THR A 58 -11.132 -3.456 10.282 1.00 50.00 O ATOM 833 CB THR A 58 -12.777 -4.664 12.507 1.00 50.00 C ATOM 834 OG1 THR A 58 -14.128 -4.649 12.946 1.00 50.00 O ATOM 835 CG2 THR A 58 -11.917 -5.417 13.523 1.00 50.00 C ATOM 0 H THR A 58 -13.620 -2.729 10.796 1.00 50.00 H new ATOM 0 HA THR A 58 -11.969 -2.809 13.334 1.00 50.00 H new ATOM 0 HB THR A 58 -12.715 -5.163 11.540 1.00 50.00 H new ATOM 0 HG1 THR A 58 -14.455 -5.569 13.031 1.00 50.00 H new ATOM 0 HG21 THR A 58 -12.279 -6.441 13.618 1.00 50.00 H new ATOM 0 HG22 THR A 58 -10.881 -5.428 13.185 1.00 50.00 H new ATOM 0 HG23 THR A 58 -11.978 -4.919 14.491 1.00 50.00 H new ATOM 843 N PRO A 59 -9.930 -2.814 12.041 1.00 50.00 N ATOM 844 CA PRO A 59 -8.665 -2.723 11.274 1.00 50.00 C ATOM 845 C PRO A 59 -8.150 -4.124 10.937 1.00 50.00 C ATOM 846 O PRO A 59 -8.093 -4.996 11.781 1.00 50.00 O ATOM 847 CB PRO A 59 -7.715 -2.009 12.232 1.00 50.00 C ATOM 848 CG PRO A 59 -8.257 -2.293 13.598 1.00 50.00 C ATOM 849 CD PRO A 59 -9.748 -2.462 13.454 1.00 50.00 C ATOM 0 HA PRO A 59 -8.773 -2.200 10.324 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -6.696 -2.380 12.127 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -7.686 -0.938 12.034 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -7.805 -3.194 14.013 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -8.026 -1.477 14.282 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -10.127 -3.244 14.112 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -10.280 -1.546 13.709 1.00 50.00 H new ATOM 857 N VAL A 60 -7.776 -4.350 9.707 1.00 50.00 N ATOM 858 CA VAL A 60 -7.266 -5.696 9.320 1.00 50.00 C ATOM 859 C VAL A 60 -6.051 -5.555 8.409 1.00 50.00 C ATOM 860 O VAL A 60 -5.068 -6.256 8.546 1.00 50.00 O ATOM 861 CB VAL A 60 -8.425 -6.361 8.576 1.00 50.00 C ATOM 862 CG1 VAL A 60 -8.144 -7.857 8.423 1.00 50.00 C ATOM 863 CG2 VAL A 60 -9.718 -6.165 9.371 1.00 50.00 C ATOM 0 H VAL A 60 -7.801 -3.662 8.955 1.00 50.00 H new ATOM 0 HA VAL A 60 -6.949 -6.283 10.182 1.00 50.00 H new ATOM 0 HB VAL A 60 -8.530 -5.909 7.590 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -8.970 -8.330 7.893 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -7.222 -7.998 7.858 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -8.039 -8.310 9.409 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -10.545 -6.638 8.842 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -9.611 -6.617 10.357 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -9.920 -5.099 9.481 1.00 50.00 H new ATOM 873 N GLY A 61 -6.115 -4.646 7.485 1.00 50.00 N ATOM 874 CA GLY A 61 -4.967 -4.439 6.558 1.00 50.00 C ATOM 875 C GLY A 61 -3.860 -3.683 7.295 1.00 50.00 C ATOM 876 O GLY A 61 -4.114 -2.727 8.000 1.00 50.00 O ATOM 0 H GLY A 61 -6.915 -4.033 7.328 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -4.594 -5.399 6.201 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.288 -3.876 5.682 1.00 50.00 H new ATOM 880 N ARG A 62 -2.634 -4.107 7.150 1.00 50.00 N ATOM 881 CA ARG A 62 -1.520 -3.409 7.858 1.00 50.00 C ATOM 882 C ARG A 62 -0.509 -2.849 6.853 1.00 50.00 C ATOM 883 O ARG A 62 -0.345 -3.366 5.768 1.00 50.00 O ATOM 884 CB ARG A 62 -0.870 -4.485 8.727 1.00 50.00 C ATOM 885 CG ARG A 62 -1.880 -4.982 9.763 1.00 50.00 C ATOM 886 CD ARG A 62 -1.200 -5.092 11.130 1.00 50.00 C ATOM 887 NE ARG A 62 -1.234 -6.543 11.460 1.00 50.00 N ATOM 888 CZ ARG A 62 -0.282 -7.073 12.178 1.00 50.00 C ATOM 889 NH1 ARG A 62 0.897 -7.270 11.655 1.00 50.00 N ATOM 890 NH2 ARG A 62 -0.509 -7.404 13.419 1.00 50.00 N ATOM 0 H ARG A 62 -2.355 -4.902 6.575 1.00 50.00 H new ATOM 0 HA ARG A 62 -1.876 -2.564 8.447 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.532 -5.314 8.106 1.00 50.00 H new ATOM 0 HB3 ARG A 62 0.011 -4.081 9.226 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -2.725 -4.296 9.820 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -2.276 -5.952 9.463 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -0.176 -4.719 11.093 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -1.726 -4.504 11.881 1.00 50.00 H new ATOM 0 HE ARG A 62 -2.002 -7.124 11.124 1.00 50.00 H new ATOM 0 HH11 ARG A 62 1.075 -7.010 10.685 1.00 50.00 H new ATOM 0 HH12 ARG A 62 1.641 -7.684 12.216 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -1.430 -7.249 13.828 1.00 50.00 H new ATOM 0 HH22 ARG A 62 0.235 -7.818 13.981 1.00 50.00 H new ATOM 904 N LEU A 63 0.174 -1.795 7.212 1.00 50.00 N ATOM 905 CA LEU A 63 1.179 -1.203 6.282 1.00 50.00 C ATOM 906 C LEU A 63 2.570 -1.770 6.581 1.00 50.00 C ATOM 907 O LEU A 63 3.055 -1.696 7.692 1.00 50.00 O ATOM 908 CB LEU A 63 1.140 0.302 6.561 1.00 50.00 C ATOM 909 CG LEU A 63 -0.283 0.825 6.356 1.00 50.00 C ATOM 910 CD1 LEU A 63 -0.762 1.520 7.632 1.00 50.00 C ATOM 911 CD2 LEU A 63 -0.295 1.827 5.198 1.00 50.00 C ATOM 0 H LEU A 63 0.079 -1.318 8.109 1.00 50.00 H new ATOM 0 HA LEU A 63 0.961 -1.428 5.238 1.00 50.00 H new ATOM 0 HB2 LEU A 63 1.468 0.502 7.581 1.00 50.00 H new ATOM 0 HB3 LEU A 63 1.829 0.823 5.897 1.00 50.00 H new ATOM 0 HG LEU A 63 -0.946 -0.009 6.126 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -1.776 1.892 7.485 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -0.753 0.810 8.459 1.00 50.00 H new ATOM 0 HD13 LEU A 63 -0.099 2.354 7.863 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -1.308 2.201 5.051 1.00 50.00 H new ATOM 0 HD22 LEU A 63 0.369 2.660 5.431 1.00 50.00 H new ATOM 0 HD23 LEU A 63 0.046 1.335 4.287 1.00 50.00 H new ATOM 923 N VAL A 64 3.214 -2.339 5.598 1.00 50.00 N ATOM 924 CA VAL A 64 4.571 -2.912 5.829 1.00 50.00 C ATOM 925 C VAL A 64 5.630 -1.808 5.784 1.00 50.00 C ATOM 926 O VAL A 64 6.573 -1.809 6.550 1.00 50.00 O ATOM 927 CB VAL A 64 4.781 -3.903 4.684 1.00 50.00 C ATOM 928 CG1 VAL A 64 6.196 -4.480 4.760 1.00 50.00 C ATOM 929 CG2 VAL A 64 3.761 -5.039 4.799 1.00 50.00 C ATOM 0 H VAL A 64 2.860 -2.432 4.646 1.00 50.00 H new ATOM 0 HA VAL A 64 4.655 -3.390 6.805 1.00 50.00 H new ATOM 0 HB VAL A 64 4.649 -3.390 3.732 1.00 50.00 H new ATOM 0 HG11 VAL A 64 6.345 -5.186 3.943 1.00 50.00 H new ATOM 0 HG12 VAL A 64 6.923 -3.672 4.678 1.00 50.00 H new ATOM 0 HG13 VAL A 64 6.329 -4.993 5.712 1.00 50.00 H new ATOM 0 HG21 VAL A 64 3.910 -5.746 3.983 1.00 50.00 H new ATOM 0 HG22 VAL A 64 3.893 -5.552 5.752 1.00 50.00 H new ATOM 0 HG23 VAL A 64 2.752 -4.629 4.744 1.00 50.00 H new ATOM 939 N THR A 65 5.483 -0.865 4.895 1.00 50.00 N ATOM 940 CA THR A 65 6.483 0.236 4.806 1.00 50.00 C ATOM 941 C THR A 65 6.443 1.087 6.078 1.00 50.00 C ATOM 942 O THR A 65 5.587 0.915 6.923 1.00 50.00 O ATOM 943 CB THR A 65 6.058 1.063 3.590 1.00 50.00 C ATOM 944 OG1 THR A 65 7.137 1.894 3.184 1.00 50.00 O ATOM 945 CG2 THR A 65 4.852 1.932 3.954 1.00 50.00 C ATOM 0 H THR A 65 4.714 -0.809 4.227 1.00 50.00 H new ATOM 0 HA THR A 65 7.502 -0.137 4.705 1.00 50.00 H new ATOM 0 HB THR A 65 5.786 0.394 2.774 1.00 50.00 H new ATOM 0 HG1 THR A 65 6.867 2.423 2.404 1.00 50.00 H new ATOM 0 HG21 THR A 65 4.552 2.520 3.086 1.00 50.00 H new ATOM 0 HG22 THR A 65 4.024 1.294 4.264 1.00 50.00 H new ATOM 0 HG23 THR A 65 5.120 2.602 4.771 1.00 50.00 H new ATOM 953 N VAL A 66 7.358 2.005 6.220 1.00 50.00 N ATOM 954 CA VAL A 66 7.368 2.864 7.434 1.00 50.00 C ATOM 955 C VAL A 66 5.996 3.519 7.624 1.00 50.00 C ATOM 956 O VAL A 66 5.089 3.320 6.841 1.00 50.00 O ATOM 957 CB VAL A 66 8.437 3.918 7.154 1.00 50.00 C ATOM 958 CG1 VAL A 66 9.824 3.297 7.324 1.00 50.00 C ATOM 959 CG2 VAL A 66 8.282 4.438 5.723 1.00 50.00 C ATOM 0 H VAL A 66 8.100 2.197 5.546 1.00 50.00 H new ATOM 0 HA VAL A 66 7.578 2.303 8.344 1.00 50.00 H new ATOM 0 HB VAL A 66 8.321 4.745 7.854 1.00 50.00 H new ATOM 0 HG11 VAL A 66 10.587 4.050 7.124 1.00 50.00 H new ATOM 0 HG12 VAL A 66 9.936 2.929 8.344 1.00 50.00 H new ATOM 0 HG13 VAL A 66 9.940 2.469 6.625 1.00 50.00 H new ATOM 0 HG21 VAL A 66 9.046 5.190 5.524 1.00 50.00 H new ATOM 0 HG22 VAL A 66 8.396 3.612 5.021 1.00 50.00 H new ATOM 0 HG23 VAL A 66 7.294 4.883 5.603 1.00 50.00 H new ATOM 969 N ASN A 67 5.836 4.298 8.659 1.00 50.00 N ATOM 970 CA ASN A 67 4.521 4.961 8.893 1.00 50.00 C ATOM 971 C ASN A 67 4.010 5.592 7.595 1.00 50.00 C ATOM 972 O ASN A 67 4.783 6.089 6.799 1.00 50.00 O ATOM 973 CB ASN A 67 4.800 6.036 9.943 1.00 50.00 C ATOM 974 CG ASN A 67 4.051 5.696 11.232 1.00 50.00 C ATOM 975 OD1 ASN A 67 2.870 5.416 11.206 1.00 50.00 O ATOM 976 ND2 ASN A 67 4.694 5.708 12.368 1.00 50.00 N ATOM 0 H ASN A 67 6.557 4.504 9.351 1.00 50.00 H new ATOM 0 HA ASN A 67 3.756 4.259 9.225 1.00 50.00 H new ATOM 0 HB2 ASN A 67 5.871 6.100 10.138 1.00 50.00 H new ATOM 0 HB3 ASN A 67 4.485 7.012 9.573 1.00 50.00 H new ATOM 0 HD21 ASN A 67 4.204 5.482 13.234 1.00 50.00 H new ATOM 0 HD22 ASN A 67 5.686 5.943 12.390 1.00 50.00 H new ATOM 983 N PRO A 68 2.717 5.542 7.423 1.00 50.00 N ATOM 984 CA PRO A 68 2.086 6.109 6.205 1.00 50.00 C ATOM 985 C PRO A 68 2.086 7.641 6.250 1.00 50.00 C ATOM 986 O PRO A 68 1.048 8.267 6.321 1.00 50.00 O ATOM 987 CB PRO A 68 0.660 5.567 6.257 1.00 50.00 C ATOM 988 CG PRO A 68 0.403 5.286 7.704 1.00 50.00 C ATOM 989 CD PRO A 68 1.731 4.958 8.338 1.00 50.00 C ATOM 0 HA PRO A 68 2.613 5.837 5.290 1.00 50.00 H new ATOM 0 HB2 PRO A 68 -0.052 6.292 5.864 1.00 50.00 H new ATOM 0 HB3 PRO A 68 0.559 4.663 5.656 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -0.052 6.150 8.189 1.00 50.00 H new ATOM 0 HG3 PRO A 68 -0.293 4.455 7.817 1.00 50.00 H new ATOM 0 HD2 PRO A 68 1.812 5.385 9.337 1.00 50.00 H new ATOM 0 HD3 PRO A 68 1.870 3.882 8.439 1.00 50.00 H new ATOM 997 N PHE A 69 3.242 8.247 6.195 1.00 50.00 N ATOM 998 CA PHE A 69 3.308 9.739 6.221 1.00 50.00 C ATOM 999 C PHE A 69 4.113 10.250 5.024 1.00 50.00 C ATOM 1000 O PHE A 69 5.262 9.899 4.842 1.00 50.00 O ATOM 1001 CB PHE A 69 4.027 10.095 7.525 1.00 50.00 C ATOM 1002 CG PHE A 69 3.266 9.542 8.708 1.00 50.00 C ATOM 1003 CD1 PHE A 69 1.878 9.381 8.638 1.00 50.00 C ATOM 1004 CD2 PHE A 69 3.953 9.196 9.878 1.00 50.00 C ATOM 1005 CE1 PHE A 69 1.176 8.871 9.737 1.00 50.00 C ATOM 1006 CE2 PHE A 69 3.250 8.686 10.977 1.00 50.00 C ATOM 1007 CZ PHE A 69 1.863 8.523 10.907 1.00 50.00 C ATOM 0 H PHE A 69 4.144 7.774 6.133 1.00 50.00 H new ATOM 0 HA PHE A 69 2.317 10.189 6.167 1.00 50.00 H new ATOM 0 HB2 PHE A 69 5.039 9.690 7.513 1.00 50.00 H new ATOM 0 HB3 PHE A 69 4.117 11.177 7.615 1.00 50.00 H new ATOM 0 HD1 PHE A 69 1.348 9.650 7.736 1.00 50.00 H new ATOM 0 HD2 PHE A 69 5.024 9.322 9.933 1.00 50.00 H new ATOM 0 HE1 PHE A 69 0.105 8.746 9.683 1.00 50.00 H new ATOM 0 HE2 PHE A 69 3.780 8.418 11.879 1.00 50.00 H new ATOM 0 HZ PHE A 69 1.322 8.129 11.755 1.00 50.00 H new ATOM 1017 N VAL A 70 3.525 11.081 4.206 1.00 50.00 N ATOM 1018 CA VAL A 70 4.268 11.612 3.027 1.00 50.00 C ATOM 1019 C VAL A 70 5.356 12.585 3.492 1.00 50.00 C ATOM 1020 O VAL A 70 5.351 13.749 3.149 1.00 50.00 O ATOM 1021 CB VAL A 70 3.214 12.339 2.190 1.00 50.00 C ATOM 1022 CG1 VAL A 70 3.905 13.200 1.131 1.00 50.00 C ATOM 1023 CG2 VAL A 70 2.317 11.311 1.497 1.00 50.00 C ATOM 0 H VAL A 70 2.566 11.414 4.303 1.00 50.00 H new ATOM 0 HA VAL A 70 4.765 10.826 2.457 1.00 50.00 H new ATOM 0 HB VAL A 70 2.611 12.974 2.840 1.00 50.00 H new ATOM 0 HG11 VAL A 70 3.153 13.717 0.535 1.00 50.00 H new ATOM 0 HG12 VAL A 70 4.547 13.932 1.620 1.00 50.00 H new ATOM 0 HG13 VAL A 70 4.508 12.565 0.482 1.00 50.00 H new ATOM 0 HG21 VAL A 70 1.565 11.828 0.900 1.00 50.00 H new ATOM 0 HG22 VAL A 70 2.923 10.678 0.849 1.00 50.00 H new ATOM 0 HG23 VAL A 70 1.823 10.694 2.248 1.00 50.00 H new ATOM 1033 N ALA A 71 6.290 12.115 4.274 1.00 50.00 N ATOM 1034 CA ALA A 71 7.377 13.013 4.763 1.00 50.00 C ATOM 1035 C ALA A 71 8.614 12.882 3.869 1.00 50.00 C ATOM 1036 O ALA A 71 9.650 12.410 4.293 1.00 50.00 O ATOM 1037 CB ALA A 71 7.683 12.527 6.180 1.00 50.00 C ATOM 0 H ALA A 71 6.348 11.149 4.596 1.00 50.00 H new ATOM 0 HA ALA A 71 7.085 14.063 4.747 1.00 50.00 H new ATOM 0 HB1 ALA A 71 8.476 13.139 6.611 1.00 50.00 H new ATOM 0 HB2 ALA A 71 6.786 12.609 6.794 1.00 50.00 H new ATOM 0 HB3 ALA A 71 8.006 11.486 6.146 1.00 50.00 H new ATOM 1043 N THR A 72 8.513 13.297 2.637 1.00 50.00 N ATOM 1044 CA THR A 72 9.684 13.194 1.718 1.00 50.00 C ATOM 1045 C THR A 72 9.745 14.415 0.797 1.00 50.00 C ATOM 1046 O THR A 72 8.822 15.203 0.731 1.00 50.00 O ATOM 1047 CB THR A 72 9.446 11.919 0.906 1.00 50.00 C ATOM 1048 OG1 THR A 72 8.227 11.316 1.317 1.00 50.00 O ATOM 1049 CG2 THR A 72 10.602 10.944 1.134 1.00 50.00 C ATOM 0 H THR A 72 7.672 13.703 2.226 1.00 50.00 H new ATOM 0 HA THR A 72 10.629 13.159 2.260 1.00 50.00 H new ATOM 0 HB THR A 72 9.388 12.169 -0.153 1.00 50.00 H new ATOM 0 HG1 THR A 72 8.041 10.536 0.753 1.00 50.00 H new ATOM 0 HG21 THR A 72 10.432 10.036 0.555 1.00 50.00 H new ATOM 0 HG22 THR A 72 11.536 11.407 0.816 1.00 50.00 H new ATOM 0 HG23 THR A 72 10.663 10.693 2.193 1.00 50.00 H new ATOM 1057 N SER A 73 10.825 14.577 0.083 1.00 50.00 N ATOM 1058 CA SER A 73 10.944 15.745 -0.835 1.00 50.00 C ATOM 1059 C SER A 73 10.426 15.377 -2.228 1.00 50.00 C ATOM 1060 O SER A 73 10.186 16.233 -3.058 1.00 50.00 O ATOM 1061 CB SER A 73 12.439 16.058 -0.884 1.00 50.00 C ATOM 1062 OG SER A 73 13.001 15.484 -2.056 1.00 50.00 O ATOM 0 H SER A 73 11.630 13.951 0.096 1.00 50.00 H new ATOM 0 HA SER A 73 10.360 16.600 -0.495 1.00 50.00 H new ATOM 0 HB2 SER A 73 12.597 17.137 -0.882 1.00 50.00 H new ATOM 0 HB3 SER A 73 12.934 15.662 0.002 1.00 50.00 H new ATOM 0 HG SER A 73 13.960 15.684 -2.091 1.00 50.00 H new ATOM 1068 N SER A 74 10.254 14.110 -2.493 1.00 99.99 N ATOM 1069 CA SER A 74 9.754 13.691 -3.835 1.00 99.99 C ATOM 1070 C SER A 74 8.449 12.901 -3.694 1.00 99.99 C ATOM 1071 O SER A 74 8.087 12.126 -4.557 1.00 99.99 O ATOM 1072 CB SER A 74 10.857 12.805 -4.409 1.00 99.99 C ATOM 1073 OG SER A 74 12.022 13.589 -4.630 1.00 99.99 O ATOM 0 H SER A 74 10.437 13.348 -1.840 1.00 99.99 H new ATOM 0 HA SER A 74 9.539 14.544 -4.479 1.00 99.99 H new ATOM 0 HB2 SER A 74 11.079 11.989 -3.721 1.00 99.99 H new ATOM 0 HB3 SER A 74 10.526 12.353 -5.344 1.00 99.99 H new ATOM 0 HG SER A 74 12.733 13.023 -4.997 1.00 99.99 H new ATOM 1079 N ALA A 75 7.738 13.090 -2.615 1.00 99.99 N ATOM 1080 CA ALA A 75 6.457 12.348 -2.431 1.00 99.99 C ATOM 1081 C ALA A 75 5.334 13.025 -3.217 1.00 99.99 C ATOM 1082 O ALA A 75 4.176 12.688 -3.076 1.00 99.99 O ATOM 1083 CB ALA A 75 6.170 12.410 -0.932 1.00 99.99 C ATOM 0 H ALA A 75 7.987 13.724 -1.856 1.00 99.99 H new ATOM 0 HA ALA A 75 6.524 11.321 -2.791 1.00 99.99 H new ATOM 0 HB1 ALA A 75 5.240 11.884 -0.718 1.00 99.99 H new ATOM 0 HB2 ALA A 75 6.987 11.940 -0.385 1.00 99.99 H new ATOM 0 HB3 ALA A 75 6.078 13.451 -0.622 1.00 99.99 H new ATOM 1089 N ASN A 76 5.666 13.969 -4.052 1.00 99.99 N ATOM 1090 CA ASN A 76 4.625 14.656 -4.851 1.00 99.99 C ATOM 1091 C ASN A 76 4.394 13.882 -6.145 1.00 99.99 C ATOM 1092 O ASN A 76 3.847 14.394 -7.102 1.00 99.99 O ATOM 1093 CB ASN A 76 5.193 16.044 -5.143 1.00 99.99 C ATOM 1094 CG ASN A 76 5.205 16.873 -3.857 1.00 99.99 C ATOM 1095 OD1 ASN A 76 4.167 17.281 -3.374 1.00 99.99 O ATOM 1096 ND2 ASN A 76 6.344 17.140 -3.277 1.00 99.99 N ATOM 0 H ASN A 76 6.620 14.293 -4.213 1.00 99.99 H new ATOM 0 HA ASN A 76 3.668 14.721 -4.333 1.00 99.99 H new ATOM 0 HB2 ASN A 76 6.204 15.958 -5.542 1.00 99.99 H new ATOM 0 HB3 ASN A 76 4.591 16.542 -5.903 1.00 99.99 H new ATOM 0 HD21 ASN A 76 6.362 17.691 -2.419 1.00 99.99 H new ATOM 0 HD22 ASN A 76 7.215 16.798 -3.682 1.00 99.99 H new ATOM 1103 N SER A 77 4.815 12.648 -6.179 1.00 99.99 N ATOM 1104 CA SER A 77 4.633 11.832 -7.404 1.00 99.99 C ATOM 1105 C SER A 77 4.073 10.462 -7.027 1.00 99.99 C ATOM 1106 O SER A 77 3.708 10.224 -5.891 1.00 99.99 O ATOM 1107 CB SER A 77 6.031 11.695 -8.006 1.00 99.99 C ATOM 1108 OG SER A 77 6.001 10.727 -9.048 1.00 99.99 O ATOM 0 H SER A 77 5.279 12.171 -5.406 1.00 99.99 H new ATOM 0 HA SER A 77 3.936 12.285 -8.109 1.00 99.99 H new ATOM 0 HB2 SER A 77 6.367 12.656 -8.396 1.00 99.99 H new ATOM 0 HB3 SER A 77 6.743 11.396 -7.237 1.00 99.99 H new ATOM 0 HG SER A 77 5.432 11.049 -9.778 1.00 99.99 H new ATOM 1114 N LYS A 78 4.003 9.560 -7.965 1.00 99.99 N ATOM 1115 CA LYS A 78 3.475 8.208 -7.646 1.00 99.99 C ATOM 1116 C LYS A 78 4.391 7.540 -6.622 1.00 99.99 C ATOM 1117 O LYS A 78 5.345 6.872 -6.968 1.00 99.99 O ATOM 1118 CB LYS A 78 3.501 7.445 -8.970 1.00 99.99 C ATOM 1119 CG LYS A 78 4.948 7.310 -9.452 1.00 99.99 C ATOM 1120 CD LYS A 78 4.984 7.359 -10.981 1.00 99.99 C ATOM 1121 CE LYS A 78 4.695 5.965 -11.542 1.00 99.99 C ATOM 1122 NZ LYS A 78 5.772 5.723 -12.542 1.00 99.99 N ATOM 0 H LYS A 78 4.288 9.701 -8.934 1.00 99.99 H new ATOM 0 HA LYS A 78 2.471 8.236 -7.222 1.00 99.99 H new ATOM 0 HB2 LYS A 78 3.055 6.459 -8.843 1.00 99.99 H new ATOM 0 HB3 LYS A 78 2.905 7.970 -9.717 1.00 99.99 H new ATOM 0 HG2 LYS A 78 5.557 8.113 -9.037 1.00 99.99 H new ATOM 0 HG3 LYS A 78 5.374 6.372 -9.098 1.00 99.99 H new ATOM 0 HD2 LYS A 78 4.246 8.072 -11.350 1.00 99.99 H new ATOM 0 HD3 LYS A 78 5.960 7.705 -11.322 1.00 99.99 H new ATOM 0 HE2 LYS A 78 4.710 5.211 -10.755 1.00 99.99 H new ATOM 0 HE3 LYS A 78 3.709 5.922 -12.005 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 5.642 4.785 -12.972 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 5.728 6.452 -13.283 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 6.698 5.763 -12.071 1.00 99.99 H new ATOM 1136 N VAL A 79 4.112 7.720 -5.361 1.00 99.99 N ATOM 1137 CA VAL A 79 4.964 7.104 -4.318 1.00 99.99 C ATOM 1138 C VAL A 79 4.650 5.608 -4.217 1.00 99.99 C ATOM 1139 O VAL A 79 3.722 5.124 -4.832 1.00 99.99 O ATOM 1140 CB VAL A 79 4.573 7.827 -3.032 1.00 99.99 C ATOM 1141 CG1 VAL A 79 4.918 9.313 -3.157 1.00 99.99 C ATOM 1142 CG2 VAL A 79 3.068 7.674 -2.801 1.00 99.99 C ATOM 0 H VAL A 79 3.327 8.270 -5.011 1.00 99.99 H new ATOM 0 HA VAL A 79 6.030 7.193 -4.528 1.00 99.99 H new ATOM 0 HB VAL A 79 5.118 7.396 -2.192 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.639 9.830 -2.239 1.00 99.99 H new ATOM 0 HG12 VAL A 79 5.989 9.425 -3.325 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.372 9.744 -3.996 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.787 8.190 -1.883 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.525 8.107 -3.641 1.00 99.99 H new ATOM 0 HG23 VAL A 79 2.819 6.616 -2.714 1.00 99.99 H new ATOM 1152 N LEU A 80 5.415 4.869 -3.461 1.00 50.00 N ATOM 1153 CA LEU A 80 5.149 3.404 -3.348 1.00 50.00 C ATOM 1154 C LEU A 80 4.788 3.021 -1.910 1.00 50.00 C ATOM 1155 O LEU A 80 5.566 3.199 -0.994 1.00 50.00 O ATOM 1156 CB LEU A 80 6.460 2.735 -3.762 1.00 50.00 C ATOM 1157 CG LEU A 80 6.219 1.245 -4.013 1.00 50.00 C ATOM 1158 CD1 LEU A 80 7.216 0.735 -5.055 1.00 50.00 C ATOM 1159 CD2 LEU A 80 6.413 0.474 -2.705 1.00 50.00 C ATOM 0 H LEU A 80 6.208 5.212 -2.919 1.00 50.00 H new ATOM 0 HA LEU A 80 4.309 3.096 -3.970 1.00 50.00 H new ATOM 0 HB2 LEU A 80 6.852 3.207 -4.663 1.00 50.00 H new ATOM 0 HB3 LEU A 80 7.209 2.866 -2.981 1.00 50.00 H new ATOM 0 HG LEU A 80 5.203 1.097 -4.379 1.00 50.00 H new ATOM 0 HD11 LEU A 80 7.044 -0.326 -5.234 1.00 50.00 H new ATOM 0 HD12 LEU A 80 7.083 1.286 -5.986 1.00 50.00 H new ATOM 0 HD13 LEU A 80 8.232 0.882 -4.689 1.00 50.00 H new ATOM 0 HD21 LEU A 80 6.242 -0.588 -2.880 1.00 50.00 H new ATOM 0 HD22 LEU A 80 7.430 0.623 -2.342 1.00 50.00 H new ATOM 0 HD23 LEU A 80 5.705 0.837 -1.960 1.00 50.00 H new ATOM 1171 N VAL A 81 3.616 2.483 -1.710 1.00 50.00 N ATOM 1172 CA VAL A 81 3.202 2.072 -0.338 1.00 50.00 C ATOM 1173 C VAL A 81 3.190 0.543 -0.242 1.00 50.00 C ATOM 1174 O VAL A 81 3.312 -0.147 -1.234 1.00 50.00 O ATOM 1175 CB VAL A 81 1.792 2.635 -0.163 1.00 50.00 C ATOM 1176 CG1 VAL A 81 1.442 2.684 1.325 1.00 50.00 C ATOM 1177 CG2 VAL A 81 1.733 4.049 -0.746 1.00 50.00 C ATOM 0 H VAL A 81 2.925 2.310 -2.440 1.00 50.00 H new ATOM 0 HA VAL A 81 3.879 2.439 0.433 1.00 50.00 H new ATOM 0 HB VAL A 81 1.079 1.995 -0.683 1.00 50.00 H new ATOM 0 HG11 VAL A 81 0.436 3.086 1.449 1.00 50.00 H new ATOM 0 HG12 VAL A 81 1.485 1.678 1.742 1.00 50.00 H new ATOM 0 HG13 VAL A 81 2.155 3.323 1.846 1.00 50.00 H new ATOM 0 HG21 VAL A 81 0.728 4.452 -0.622 1.00 50.00 H new ATOM 0 HG22 VAL A 81 2.447 4.687 -0.225 1.00 50.00 H new ATOM 0 HG23 VAL A 81 1.982 4.016 -1.807 1.00 50.00 H new ATOM 1187 N GLU A 82 3.047 0.005 0.939 1.00 50.00 N ATOM 1188 CA GLU A 82 3.034 -1.481 1.076 1.00 50.00 C ATOM 1189 C GLU A 82 2.191 -1.903 2.283 1.00 50.00 C ATOM 1190 O GLU A 82 2.070 -1.181 3.252 1.00 50.00 O ATOM 1191 CB GLU A 82 4.498 -1.870 1.279 1.00 50.00 C ATOM 1192 CG GLU A 82 5.039 -2.503 -0.004 1.00 50.00 C ATOM 1193 CD GLU A 82 6.350 -3.233 0.300 1.00 50.00 C ATOM 1194 OE1 GLU A 82 7.218 -2.622 0.902 1.00 50.00 O ATOM 1195 OE2 GLU A 82 6.462 -4.389 -0.074 1.00 50.00 O ATOM 0 H GLU A 82 2.939 0.525 1.810 1.00 50.00 H new ATOM 0 HA GLU A 82 2.597 -1.970 0.205 1.00 50.00 H new ATOM 0 HB2 GLU A 82 5.087 -0.990 1.540 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.588 -2.571 2.109 1.00 50.00 H new ATOM 0 HG2 GLU A 82 4.309 -3.201 -0.414 1.00 50.00 H new ATOM 0 HG3 GLU A 82 5.205 -1.735 -0.759 1.00 50.00 H new ATOM 1202 N MET A 83 1.609 -3.072 2.230 1.00 50.00 N ATOM 1203 CA MET A 83 0.773 -3.545 3.370 1.00 50.00 C ATOM 1204 C MET A 83 0.610 -5.067 3.310 1.00 50.00 C ATOM 1205 O MET A 83 0.680 -5.666 2.255 1.00 50.00 O ATOM 1206 CB MET A 83 -0.577 -2.854 3.182 1.00 50.00 C ATOM 1207 CG MET A 83 -1.108 -3.144 1.776 1.00 50.00 C ATOM 1208 SD MET A 83 -2.277 -1.850 1.292 1.00 50.00 S ATOM 1209 CE MET A 83 -2.381 -2.284 -0.461 1.00 50.00 C ATOM 0 H MET A 83 1.677 -3.720 1.445 1.00 50.00 H new ATOM 0 HA MET A 83 1.220 -3.311 4.336 1.00 50.00 H new ATOM 0 HB2 MET A 83 -1.286 -3.208 3.930 1.00 50.00 H new ATOM 0 HB3 MET A 83 -0.471 -1.779 3.327 1.00 50.00 H new ATOM 0 HG2 MET A 83 -0.282 -3.187 1.066 1.00 50.00 H new ATOM 0 HG3 MET A 83 -1.598 -4.118 1.755 1.00 50.00 H new ATOM 0 HE1 MET A 83 -3.063 -1.600 -0.965 1.00 50.00 H new ATOM 0 HE2 MET A 83 -1.392 -2.209 -0.914 1.00 50.00 H new ATOM 0 HE3 MET A 83 -2.750 -3.305 -0.562 1.00 50.00 H new ATOM 1219 N GLU A 84 0.396 -5.699 4.433 1.00 50.00 N ATOM 1220 CA GLU A 84 0.231 -7.170 4.439 1.00 50.00 C ATOM 1221 C GLU A 84 -1.190 -7.548 4.866 1.00 50.00 C ATOM 1222 O GLU A 84 -1.381 -8.248 5.840 1.00 50.00 O ATOM 1223 CB GLU A 84 1.250 -7.682 5.457 1.00 50.00 C ATOM 1224 CG GLU A 84 1.332 -6.721 6.644 1.00 50.00 C ATOM 1225 CD GLU A 84 1.907 -7.455 7.856 1.00 50.00 C ATOM 1226 OE1 GLU A 84 2.676 -8.381 7.654 1.00 50.00 O ATOM 1227 OE2 GLU A 84 1.568 -7.081 8.967 1.00 50.00 O ATOM 0 H GLU A 84 0.329 -5.252 5.347 1.00 50.00 H new ATOM 0 HA GLU A 84 0.389 -7.603 3.451 1.00 50.00 H new ATOM 0 HB2 GLU A 84 0.964 -8.676 5.802 1.00 50.00 H new ATOM 0 HB3 GLU A 84 2.229 -7.777 4.987 1.00 50.00 H new ATOM 0 HG2 GLU A 84 1.960 -5.867 6.391 1.00 50.00 H new ATOM 0 HG3 GLU A 84 0.342 -6.330 6.878 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.145 -7.073 4.113 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.568 -7.367 4.411 1.00 50.00 C ATOM 1236 C PRO A 85 -3.885 -8.831 4.099 1.00 50.00 C ATOM 1237 O PRO A 85 -3.085 -9.528 3.507 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.329 -6.436 3.470 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.381 -6.166 2.346 1.00 50.00 C ATOM 1240 CD PRO A 85 -1.992 -6.225 2.926 1.00 50.00 C ATOM 0 HA PRO A 85 -3.828 -7.214 5.458 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.246 -6.902 3.110 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -4.617 -5.514 3.974 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -3.501 -6.904 1.553 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.574 -5.189 1.903 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.281 -6.651 2.219 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.625 -5.233 3.188 1.00 50.00 H new ATOM 1248 N PRO A 86 -5.051 -9.246 4.510 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.492 -10.643 4.274 1.00 50.00 C ATOM 1250 C PRO A 86 -5.776 -10.868 2.786 1.00 50.00 C ATOM 1251 O PRO A 86 -5.930 -9.933 2.026 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.772 -10.758 5.098 1.00 50.00 C ATOM 1253 CG PRO A 86 -7.274 -9.355 5.220 1.00 50.00 C ATOM 1254 CD PRO A 86 -6.061 -8.461 5.226 1.00 50.00 C ATOM 0 HA PRO A 86 -4.743 -11.384 4.555 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -7.504 -11.399 4.605 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -6.574 -11.194 6.077 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -7.934 -9.106 4.389 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.852 -9.229 6.135 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.260 -7.512 4.727 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.741 -8.226 6.241 1.00 50.00 H new ATOM 1262 N PHE A 87 -5.845 -12.101 2.363 1.00 50.00 N ATOM 1263 CA PHE A 87 -6.120 -12.378 0.920 1.00 50.00 C ATOM 1264 C PHE A 87 -7.580 -12.061 0.591 1.00 50.00 C ATOM 1265 O PHE A 87 -8.468 -12.270 1.395 1.00 50.00 O ATOM 1266 CB PHE A 87 -5.838 -13.871 0.725 1.00 50.00 C ATOM 1267 CG PHE A 87 -6.195 -14.622 1.984 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -7.537 -14.813 2.328 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -5.181 -15.114 2.812 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -7.866 -15.499 3.502 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -5.510 -15.801 3.986 1.00 50.00 C ATOM 1272 CZ PHE A 87 -6.853 -15.994 4.332 1.00 50.00 C ATOM 0 H PHE A 87 -5.724 -12.927 2.950 1.00 50.00 H new ATOM 0 HA PHE A 87 -5.502 -11.765 0.264 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -6.417 -14.254 -0.115 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -4.786 -14.024 0.484 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -8.319 -14.431 1.688 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -4.145 -14.964 2.546 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -8.902 -15.647 3.768 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -4.728 -16.182 4.625 1.00 50.00 H new ATOM 0 HZ PHE A 87 -7.107 -16.524 5.238 1.00 50.00 H new ATOM 1282 N GLY A 88 -7.835 -11.556 -0.585 1.00 50.00 N ATOM 1283 CA GLY A 88 -9.236 -11.222 -0.966 1.00 50.00 C ATOM 1284 C GLY A 88 -9.342 -9.721 -1.237 1.00 50.00 C ATOM 1285 O GLY A 88 -8.355 -9.054 -1.478 1.00 50.00 O ATOM 0 H GLY A 88 -7.133 -11.360 -1.299 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -9.528 -11.785 -1.853 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -9.920 -11.508 -0.167 1.00 50.00 H new ATOM 1289 N ASP A 89 -10.529 -9.183 -1.199 1.00 50.00 N ATOM 1290 CA ASP A 89 -10.691 -7.723 -1.453 1.00 50.00 C ATOM 1291 C ASP A 89 -10.596 -6.942 -0.138 1.00 50.00 C ATOM 1292 O ASP A 89 -10.994 -7.418 0.906 1.00 50.00 O ATOM 1293 CB ASP A 89 -12.087 -7.581 -2.062 1.00 50.00 C ATOM 1294 CG ASP A 89 -12.260 -8.603 -3.187 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -12.481 -9.763 -2.878 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -12.168 -8.209 -4.338 1.00 50.00 O ATOM 0 H ASP A 89 -11.393 -9.689 -1.004 1.00 50.00 H new ATOM 0 HA ASP A 89 -9.916 -7.330 -2.111 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -12.847 -7.736 -1.296 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -12.225 -6.571 -2.449 1.00 50.00 H new ATOM 1301 N SER A 90 -10.070 -5.749 -0.183 1.00 50.00 N ATOM 1302 CA SER A 90 -9.950 -4.938 1.064 1.00 50.00 C ATOM 1303 C SER A 90 -10.509 -3.531 0.832 1.00 50.00 C ATOM 1304 O SER A 90 -10.367 -2.967 -0.234 1.00 50.00 O ATOM 1305 CB SER A 90 -8.451 -4.877 1.351 1.00 50.00 C ATOM 1306 OG SER A 90 -7.785 -4.273 0.251 1.00 50.00 O ATOM 0 H SER A 90 -9.718 -5.300 -1.028 1.00 50.00 H new ATOM 0 HA SER A 90 -10.507 -5.370 1.895 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.267 -4.305 2.261 1.00 50.00 H new ATOM 0 HB3 SER A 90 -8.061 -5.881 1.520 1.00 50.00 H new ATOM 0 HG SER A 90 -6.816 -4.374 0.360 1.00 50.00 H new ATOM 1312 N TYR A 91 -11.145 -2.960 1.819 1.00 50.00 N ATOM 1313 CA TYR A 91 -11.708 -1.594 1.646 1.00 50.00 C ATOM 1314 C TYR A 91 -10.689 -0.545 2.085 1.00 50.00 C ATOM 1315 O TYR A 91 -10.422 -0.378 3.260 1.00 50.00 O ATOM 1316 CB TYR A 91 -12.937 -1.554 2.552 1.00 50.00 C ATOM 1317 CG TYR A 91 -14.181 -1.423 1.710 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -14.149 -0.689 0.518 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -15.369 -2.039 2.120 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -15.304 -0.571 -0.262 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -16.523 -1.921 1.341 1.00 50.00 C ATOM 1322 CZ TYR A 91 -16.492 -1.188 0.148 1.00 50.00 C ATOM 1323 OH TYR A 91 -17.631 -1.071 -0.621 1.00 49.57 O ATOM 0 H TYR A 91 -11.298 -3.381 2.735 1.00 50.00 H new ATOM 0 HA TYR A 91 -11.959 -1.380 0.607 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -12.987 -2.461 3.154 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -12.864 -0.715 3.244 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -13.232 -0.214 0.201 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -15.394 -2.606 3.039 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -15.279 -0.004 -1.181 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -17.440 -2.395 1.659 1.00 50.00 H new ATOM 0 HH TYR A 91 -17.602 -1.724 -1.351 1.00 49.57 H new ATOM 1333 N ILE A 92 -10.122 0.168 1.155 1.00 50.00 N ATOM 1334 CA ILE A 92 -9.129 1.210 1.529 1.00 50.00 C ATOM 1335 C ILE A 92 -9.797 2.587 1.484 1.00 50.00 C ATOM 1336 O ILE A 92 -10.384 2.966 0.491 1.00 50.00 O ATOM 1337 CB ILE A 92 -8.026 1.110 0.475 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -7.187 -0.145 0.733 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -7.127 2.346 0.554 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -7.888 -1.361 0.126 1.00 50.00 C ATOM 0 H ILE A 92 -10.302 0.075 0.155 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.732 1.072 2.535 1.00 50.00 H new ATOM 0 HB ILE A 92 -8.477 1.052 -0.516 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -6.195 -0.028 0.296 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -7.049 -0.289 1.805 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -6.341 2.273 -0.198 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -7.722 3.241 0.372 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -6.677 2.406 1.545 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -7.291 -2.254 0.309 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -8.870 -1.481 0.583 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -8.003 -1.216 -0.948 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.730 3.337 2.550 1.00 50.00 N ATOM 1353 CA VAL A 93 -10.386 4.677 2.547 1.00 50.00 C ATOM 1354 C VAL A 93 -9.391 5.783 2.906 1.00 50.00 C ATOM 1355 O VAL A 93 -8.855 5.823 3.995 1.00 50.00 O ATOM 1356 CB VAL A 93 -11.478 4.583 3.611 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -12.328 5.854 3.585 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -12.366 3.370 3.323 1.00 50.00 C ATOM 0 H VAL A 93 -9.254 3.084 3.416 1.00 50.00 H new ATOM 0 HA VAL A 93 -10.782 4.927 1.563 1.00 50.00 H new ATOM 0 HB VAL A 93 -11.019 4.474 4.594 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -13.107 5.786 4.344 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -11.696 6.718 3.789 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -12.787 5.964 2.603 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -13.146 3.302 4.082 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.824 3.480 2.340 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.761 2.464 3.342 1.00 50.00 H new ATOM 1368 N VAL A 94 -9.155 6.692 2.000 1.00 50.00 N ATOM 1369 CA VAL A 94 -8.215 7.810 2.291 1.00 50.00 C ATOM 1370 C VAL A 94 -9.008 9.026 2.774 1.00 50.00 C ATOM 1371 O VAL A 94 -9.677 9.688 2.003 1.00 50.00 O ATOM 1372 CB VAL A 94 -7.528 8.110 0.957 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -6.355 9.062 1.190 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -7.011 6.805 0.347 1.00 50.00 C ATOM 0 H VAL A 94 -9.573 6.708 1.070 1.00 50.00 H new ATOM 0 HA VAL A 94 -7.491 7.562 3.067 1.00 50.00 H new ATOM 0 HB VAL A 94 -8.242 8.573 0.276 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -5.866 9.276 0.240 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -6.722 9.991 1.626 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -5.640 8.599 1.870 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -6.521 7.017 -0.603 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -6.297 6.343 1.028 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -7.846 6.125 0.181 1.00 50.00 H new ATOM 1384 N GLY A 95 -8.955 9.318 4.045 1.00 50.00 N ATOM 1385 CA GLY A 95 -9.722 10.485 4.567 1.00 50.00 C ATOM 1386 C GLY A 95 -8.839 11.321 5.493 1.00 50.00 C ATOM 1387 O GLY A 95 -8.073 10.797 6.278 1.00 50.00 O ATOM 0 H GLY A 95 -8.417 8.802 4.741 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -10.076 11.098 3.738 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -10.604 10.139 5.107 1.00 50.00 H new ATOM 1391 N MET A 96 -8.944 12.620 5.410 1.00 50.00 N ATOM 1392 CA MET A 96 -8.116 13.495 6.288 1.00 50.00 C ATOM 1393 C MET A 96 -8.994 14.560 6.955 1.00 50.00 C ATOM 1394 O MET A 96 -8.682 15.057 8.018 1.00 50.00 O ATOM 1395 CB MET A 96 -7.099 14.149 5.353 1.00 50.00 C ATOM 1396 CG MET A 96 -6.027 14.858 6.182 1.00 50.00 C ATOM 1397 SD MET A 96 -6.414 16.623 6.288 1.00 50.00 S ATOM 1398 CE MET A 96 -5.656 17.116 4.720 1.00 50.00 C ATOM 0 H MET A 96 -9.568 13.113 4.771 1.00 50.00 H new ATOM 0 HA MET A 96 -7.632 12.935 7.088 1.00 50.00 H new ATOM 0 HB2 MET A 96 -6.640 13.395 4.713 1.00 50.00 H new ATOM 0 HB3 MET A 96 -7.598 14.863 4.697 1.00 50.00 H new ATOM 0 HG2 MET A 96 -5.979 14.425 7.181 1.00 50.00 H new ATOM 0 HG3 MET A 96 -5.047 14.717 5.726 1.00 50.00 H new ATOM 0 HE1 MET A 96 -4.998 17.969 4.886 1.00 50.00 H new ATOM 0 HE2 MET A 96 -5.077 16.284 4.318 1.00 50.00 H new ATOM 0 HE3 MET A 96 -6.436 17.392 4.010 1.00 50.00 H new ATOM 1408 N GLY A 97 -10.091 14.914 6.339 1.00 50.00 N ATOM 1409 CA GLY A 97 -10.984 15.944 6.942 1.00 50.00 C ATOM 1410 C GLY A 97 -12.002 16.419 5.903 1.00 50.00 C ATOM 1411 O GLY A 97 -13.067 16.897 6.239 1.00 50.00 O ATOM 0 H GLY A 97 -10.406 14.535 5.446 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -11.501 15.529 7.808 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -10.393 16.788 7.298 1.00 50.00 H new ATOM 1415 N ASP A 98 -11.684 16.294 4.644 1.00 50.00 N ATOM 1416 CA ASP A 98 -12.636 16.744 3.587 1.00 50.00 C ATOM 1417 C ASP A 98 -13.704 15.673 3.341 1.00 50.00 C ATOM 1418 O ASP A 98 -14.858 15.844 3.682 1.00 50.00 O ATOM 1419 CB ASP A 98 -11.776 16.940 2.338 1.00 50.00 C ATOM 1420 CG ASP A 98 -11.071 18.295 2.412 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -11.040 18.867 3.489 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -10.573 18.738 1.390 1.00 50.00 O ATOM 0 H ASP A 98 -10.808 15.900 4.301 1.00 50.00 H new ATOM 0 HA ASP A 98 -13.162 17.656 3.868 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -11.041 16.139 2.260 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -12.397 16.890 1.444 1.00 50.00 H new ATOM 1427 N LYS A 99 -13.327 14.570 2.756 1.00 50.00 N ATOM 1428 CA LYS A 99 -14.313 13.491 2.491 1.00 50.00 C ATOM 1429 C LYS A 99 -13.616 12.128 2.509 1.00 50.00 C ATOM 1430 O LYS A 99 -12.540 11.963 1.969 1.00 50.00 O ATOM 1431 CB LYS A 99 -14.878 13.793 1.103 1.00 50.00 C ATOM 1432 CG LYS A 99 -16.332 14.252 1.231 1.00 50.00 C ATOM 1433 CD LYS A 99 -17.130 13.770 0.017 1.00 50.00 C ATOM 1434 CE LYS A 99 -17.517 14.970 -0.852 1.00 50.00 C ATOM 1435 NZ LYS A 99 -18.896 14.672 -1.328 1.00 50.00 N ATOM 0 H LYS A 99 -12.375 14.371 2.450 1.00 50.00 H new ATOM 0 HA LYS A 99 -15.100 13.456 3.245 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -14.283 14.566 0.617 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -14.820 12.904 0.474 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -16.770 13.856 2.147 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -16.376 15.339 1.300 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -16.537 13.064 -0.564 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -18.025 13.241 0.344 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -17.489 15.897 -0.280 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -16.828 15.090 -1.688 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -19.231 15.450 -1.931 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -18.891 13.788 -1.875 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -19.531 14.570 -0.511 1.00 50.00 H new ATOM 1449 N GLN A 100 -14.217 11.153 3.134 1.00 0.00 N ATOM 1450 CA GLN A 100 -13.584 9.803 3.192 1.00 0.00 C ATOM 1451 C GLN A 100 -13.789 9.057 1.873 1.00 0.00 C ATOM 1452 O GLN A 100 -14.877 8.620 1.556 1.00 0.00 O ATOM 1453 CB GLN A 100 -14.299 9.081 4.336 1.00 0.00 C ATOM 1454 CG GLN A 100 -13.715 9.542 5.674 1.00 0.00 C ATOM 1455 CD GLN A 100 -13.623 11.068 5.694 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -14.441 11.730 6.303 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -12.655 11.661 5.048 1.00 0.00 N ATOM 0 H GLN A 100 -15.118 11.231 3.607 1.00 0.00 H new ATOM 0 HA GLN A 100 -12.508 9.861 3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.368 9.292 4.302 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.183 8.003 4.229 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.342 9.194 6.495 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -12.727 9.106 5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.968 11.106 4.537 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.586 12.679 5.055 1.00 0.00 H new ATOM 1466 N ILE A 101 -12.747 8.908 1.101 1.00 0.00 N ATOM 1467 CA ILE A 101 -12.879 8.188 -0.198 1.00 0.00 C ATOM 1468 C ILE A 101 -12.499 6.715 -0.025 1.00 0.00 C ATOM 1469 O ILE A 101 -11.351 6.382 0.193 1.00 0.00 O ATOM 1470 CB ILE A 101 -11.902 8.887 -1.142 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -12.253 10.374 -1.228 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -11.997 8.261 -2.534 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -10.990 11.210 -1.017 1.00 0.00 C ATOM 0 H ILE A 101 -11.811 9.253 1.313 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.899 8.211 -0.581 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.887 8.773 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -12.693 10.599 -2.200 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -12.999 10.627 -0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -11.299 8.761 -3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -11.747 7.202 -2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -13.012 8.374 -2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -11.240 12.269 -1.078 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -10.570 10.993 -0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -10.259 10.965 -1.787 1.00 0.00 H new ATOM 1485 N ASN A 102 -13.454 5.831 -0.118 1.00 0.00 N ATOM 1486 CA ASN A 102 -13.143 4.381 0.043 1.00 0.00 C ATOM 1487 C ASN A 102 -13.196 3.670 -1.311 1.00 0.00 C ATOM 1488 O ASN A 102 -14.147 3.799 -2.056 1.00 0.00 O ATOM 1489 CB ASN A 102 -14.227 3.840 0.977 1.00 0.00 C ATOM 1490 CG ASN A 102 -15.603 4.288 0.480 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -15.975 4.013 -0.643 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -16.379 4.970 1.276 1.00 0.00 N ATOM 0 H ASN A 102 -14.434 6.048 -0.298 1.00 0.00 H new ATOM 0 HA ASN A 102 -12.143 4.219 0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.179 2.752 1.014 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -14.060 4.201 1.992 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -17.299 5.273 0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -16.066 5.201 2.219 1.00 0.00 H new ATOM 1499 N HIS A 103 -12.179 2.919 -1.632 1.00 0.00 N ATOM 1500 CA HIS A 103 -12.164 2.195 -2.934 1.00 0.00 C ATOM 1501 C HIS A 103 -11.749 0.738 -2.723 1.00 0.00 C ATOM 1502 O HIS A 103 -10.806 0.447 -2.014 1.00 0.00 O ATOM 1503 CB HIS A 103 -11.128 2.929 -3.785 1.00 0.00 C ATOM 1504 CG HIS A 103 -11.826 3.947 -4.642 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -13.103 4.399 -4.353 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -11.443 4.605 -5.784 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -13.441 5.290 -5.301 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -12.465 5.453 -6.200 1.00 0.00 N ATOM 0 H HIS A 103 -11.356 2.775 -1.047 1.00 0.00 H new ATOM 0 HA HIS A 103 -13.145 2.181 -3.409 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.393 3.417 -3.145 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.585 2.220 -4.410 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -13.681 4.109 -3.565 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -10.493 4.483 -6.284 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -14.386 5.811 -5.333 1.00 0.00 H new ATOM 1516 N HIS A 104 -12.446 -0.180 -3.332 1.00 0.00 N ATOM 1517 CA HIS A 104 -12.090 -1.618 -3.167 1.00 0.00 C ATOM 1518 C HIS A 104 -10.799 -1.930 -3.927 1.00 0.00 C ATOM 1519 O HIS A 104 -10.573 -1.438 -5.014 1.00 0.00 O ATOM 1520 CB HIS A 104 -13.267 -2.390 -3.765 1.00 0.00 C ATOM 1521 CG HIS A 104 -14.204 -2.804 -2.665 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -13.751 -3.172 -1.408 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -15.572 -2.914 -2.616 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -14.827 -3.483 -0.663 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -15.963 -3.343 -1.351 1.00 0.00 N ATOM 0 H HIS A 104 -13.247 0.003 -3.937 1.00 0.00 H new ATOM 0 HA HIS A 104 -11.918 -1.885 -2.124 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -13.792 -1.769 -4.490 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -12.906 -3.268 -4.300 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -16.243 -2.700 -3.435 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -14.778 -3.807 0.366 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -16.913 -3.514 -1.021 1.00 0.00 H new ATOM 1533 N TRP A 105 -9.948 -2.744 -3.364 1.00 0.00 N ATOM 1534 CA TRP A 105 -8.678 -3.084 -4.053 1.00 0.00 C ATOM 1535 C TRP A 105 -8.424 -4.592 -3.990 1.00 0.00 C ATOM 1536 O TRP A 105 -8.623 -5.224 -2.972 1.00 0.00 O ATOM 1537 CB TRP A 105 -7.595 -2.323 -3.290 1.00 0.00 C ATOM 1538 CG TRP A 105 -7.371 -0.995 -3.938 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -7.279 0.185 -3.283 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -7.214 -0.691 -5.354 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -7.075 1.194 -4.206 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -7.026 0.703 -5.497 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -7.214 -1.483 -6.516 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -6.846 1.292 -6.749 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -7.033 -0.893 -7.778 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -6.849 0.492 -7.894 1.00 0.00 C ATOM 0 H TRP A 105 -10.081 -3.187 -2.455 1.00 0.00 H new ATOM 0 HA TRP A 105 -8.698 -2.813 -5.109 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -7.894 -2.187 -2.251 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -6.668 -2.897 -3.282 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -7.353 0.317 -2.214 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -6.973 2.180 -3.964 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -7.354 -2.551 -6.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -6.705 2.360 -6.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.036 -1.510 -8.664 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -6.710 0.940 -8.867 1.00 0.00 H new ATOM 1557 N HIS A 106 -7.984 -5.172 -5.073 1.00 0.00 N ATOM 1558 CA HIS A 106 -7.717 -6.639 -5.079 1.00 0.00 C ATOM 1559 C HIS A 106 -6.772 -6.998 -6.228 1.00 0.00 C ATOM 1560 O HIS A 106 -6.967 -6.587 -7.355 1.00 0.00 O ATOM 1561 CB HIS A 106 -9.084 -7.288 -5.287 1.00 0.00 C ATOM 1562 CG HIS A 106 -9.714 -6.735 -6.535 1.00 0.00 C ATOM 1563 ND1 HIS A 106 -9.946 -7.518 -7.656 1.00 0.00 N ATOM 1564 CD2 HIS A 106 -10.165 -5.478 -6.855 1.00 0.00 C ATOM 1565 CE1 HIS A 106 -10.514 -6.731 -8.588 1.00 0.00 C ATOM 1566 NE2 HIS A 106 -10.669 -5.478 -8.152 1.00 0.00 N ATOM 0 H HIS A 106 -7.798 -4.694 -5.954 1.00 0.00 H new ATOM 0 HA HIS A 106 -7.241 -6.977 -4.159 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -8.977 -8.370 -5.369 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -9.725 -7.096 -4.427 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -9.726 -8.509 -7.756 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -10.133 -4.620 -6.200 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -10.809 -7.071 -9.570 1.00 0.00 H new ATOM 1574 N LYS A 107 -5.751 -7.763 -5.954 1.00 0.00 N ATOM 1575 CA LYS A 107 -4.797 -8.147 -7.035 1.00 0.00 C ATOM 1576 C LYS A 107 -5.360 -9.317 -7.846 1.00 0.00 C ATOM 1577 O LYS A 107 -4.838 -9.674 -8.884 1.00 0.00 O ATOM 1578 CB LYS A 107 -3.517 -8.561 -6.306 1.00 0.00 C ATOM 1579 CG LYS A 107 -3.672 -9.982 -5.759 1.00 0.00 C ATOM 1580 CD LYS A 107 -3.006 -10.972 -6.716 1.00 0.00 C ATOM 1581 CE LYS A 107 -3.639 -12.355 -6.544 1.00 0.00 C ATOM 1582 NZ LYS A 107 -2.500 -13.311 -6.628 1.00 0.00 N ATOM 0 H LYS A 107 -5.536 -8.139 -5.030 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.618 -7.333 -7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -2.667 -8.514 -6.987 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -3.311 -7.868 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -3.218 -10.054 -4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -4.728 -10.226 -5.644 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.122 -10.633 -7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.936 -11.023 -6.516 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.154 -12.437 -5.587 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -4.377 -12.551 -7.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.854 -14.283 -6.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.033 -13.214 -7.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.817 -13.104 -5.872 1.00 0.00 H new ATOM 1596 N ALA A 108 -6.421 -9.918 -7.381 1.00 0.00 N ATOM 1597 CA ALA A 108 -7.015 -11.066 -8.125 1.00 0.00 C ATOM 1598 C ALA A 108 -8.201 -10.594 -8.970 1.00 0.00 C ATOM 1599 O ALA A 108 -9.235 -10.222 -8.452 1.00 0.00 O ATOM 1600 CB ALA A 108 -7.482 -12.039 -7.042 1.00 0.00 C ATOM 0 H ALA A 108 -6.902 -9.664 -6.518 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.303 -11.527 -8.809 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -7.933 -12.914 -7.509 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.629 -12.349 -6.439 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.218 -11.548 -6.405 1.00 0.00 H new ATOM 1606 N GLY A 109 -8.060 -10.608 -10.267 1.00 0.00 N ATOM 1607 CA GLY A 109 -9.180 -10.163 -11.142 1.00 0.00 C ATOM 1608 C GLY A 109 -9.950 -11.384 -11.647 1.00 0.00 C ATOM 1609 O GLY A 109 -9.757 -12.489 -11.178 1.00 0.00 O ATOM 0 H GLY A 109 -7.218 -10.908 -10.758 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.847 -9.502 -10.588 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.792 -9.591 -11.985 1.00 0.00 H new ATOM 1613 N SER A 110 -10.821 -11.197 -12.599 1.00 0.00 N ATOM 1614 CA SER A 110 -11.602 -12.351 -13.132 1.00 0.00 C ATOM 1615 C SER A 110 -11.177 -12.655 -14.571 1.00 0.00 C ATOM 1616 O SER A 110 -10.756 -13.751 -14.885 1.00 0.00 O ATOM 1617 CB SER A 110 -13.059 -11.895 -13.088 1.00 0.00 C ATOM 1618 OG SER A 110 -13.592 -12.152 -11.795 1.00 0.00 O ATOM 0 H SER A 110 -11.027 -10.296 -13.032 1.00 0.00 H new ATOM 0 HA SER A 110 -11.443 -13.262 -12.555 1.00 0.00 H new ATOM 0 HB2 SER A 110 -13.126 -10.831 -13.317 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.640 -12.422 -13.845 1.00 0.00 H new ATOM 0 HG SER A 110 -14.527 -11.859 -11.762 1.00 0.00 H new ATOM 1624 N THR A 111 -11.285 -11.695 -15.447 1.00 0.00 N ATOM 1625 CA THR A 111 -10.888 -11.928 -16.865 1.00 0.00 C ATOM 1626 C THR A 111 -11.387 -13.298 -17.334 1.00 0.00 C ATOM 1627 O THR A 111 -10.574 -14.069 -17.818 1.00 49.57 O ATOM 1628 CB THR A 111 -9.359 -11.887 -16.860 1.00 0.00 C ATOM 1629 OG1 THR A 111 -8.872 -12.570 -15.713 1.00 0.00 O ATOM 1630 CG2 THR A 111 -8.885 -10.434 -16.829 1.00 0.00 C ATOM 1631 OXT THR A 111 -12.573 -13.551 -17.202 1.00 49.57 O ATOM 0 H THR A 111 -11.631 -10.758 -15.242 1.00 0.00 H new ATOM 0 HA THR A 111 -11.313 -11.186 -17.541 1.00 0.00 H new ATOM 0 HB THR A 111 -8.980 -12.371 -17.760 1.00 0.00 H new ATOM 0 HG1 THR A 111 -9.320 -13.438 -15.635 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.795 -10.407 -16.825 1.00 0.00 H new ATOM 0 HG22 THR A 111 -9.258 -9.911 -17.709 1.00 0.00 H new ATOM 0 HG23 THR A 111 -9.263 -9.947 -15.930 1.00 0.00 H new TER 1639 THR A 111