USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=31 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 55 ASN : amide:sc= 0 X(o=-0.95,f=-0.96) USER MOD Set 1.2: A 58 THR OG1 : rot -150:sc= -0.948 USER MOD Set 2.1: A 26 THR OG1 : rot 81:sc= 1.14 USER MOD Set 2.2: A 30 THR OG1 : rot -84:sc= 1.29 USER MOD Set 3.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 36 SER OG : rot 180:sc= -0.189 USER MOD Single : A 1 ASP N :NH3+ -170:sc= -0.075 (180deg=-0.148) USER MOD Single : A 2 LYS NZ :NH3+ -148:sc= -0.368 (180deg=-2.29!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 51:sc= 0.0708 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.146 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 67:sc= -5.36! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00501) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 37 TYR OH : rot 142:sc= 1.02 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0635 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -157:sc= -0.117 (180deg=-1.34!) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -2.52! C(o=-2.5!,f=-2.1!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 50:sc= 1.08 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= -0.806 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -161:sc= -0.244 (180deg=-1.54) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -7.54! C(o=-7.5!,f=-3.8!) USER MOD Single : A 102 ASN : amide:sc= -1.46! C(o=-1.5!,f=-8!) USER MOD Single : A 103 HIS : no HE2:sc= -1.05 K(o=-1,f=-3.3!) USER MOD Single : A 104 HIS : no HE2:sc= 0.165 K(o=0.16,f=-5.5!) USER MOD Single : A 106 HIS : no HD1:sc= -3.73! C(o=-3.7!,f=-3.6!) USER MOD Single : A 107 LYS NZ :NH3+ 145:sc= -0.962 (180deg=-2.45!) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.249 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 16.602 5.496 7.498 1.00 50.00 N ATOM 2 CA ASP A 1 17.563 6.453 8.115 1.00 50.00 C ATOM 3 C ASP A 1 16.993 6.999 9.427 1.00 50.00 C ATOM 4 O ASP A 1 17.704 7.551 10.243 1.00 50.00 O ATOM 5 CB ASP A 1 17.715 7.577 7.089 1.00 50.00 C ATOM 6 CG ASP A 1 19.141 7.574 6.537 1.00 50.00 C ATOM 7 OD1 ASP A 1 20.006 7.011 7.188 1.00 50.00 O ATOM 8 OD2 ASP A 1 19.344 8.135 5.473 1.00 50.00 O ATOM 0 H1 ASP A 1 17.062 5.005 6.705 1.00 50.00 H new ATOM 0 H2 ASP A 1 16.301 4.799 8.209 1.00 50.00 H new ATOM 0 H3 ASP A 1 15.771 6.015 7.149 1.00 50.00 H new ATOM 0 HA ASP A 1 18.519 5.985 8.352 1.00 50.00 H new ATOM 0 HB2 ASP A 1 16.999 7.443 6.278 1.00 50.00 H new ATOM 0 HB3 ASP A 1 17.495 8.539 7.552 1.00 50.00 H new ATOM 15 N LYS A 2 15.715 6.845 9.636 1.00 50.00 N ATOM 16 CA LYS A 2 15.096 7.352 10.893 1.00 50.00 C ATOM 17 C LYS A 2 14.116 6.317 11.450 1.00 50.00 C ATOM 18 O LYS A 2 13.545 5.534 10.718 1.00 50.00 O ATOM 19 CB LYS A 2 14.359 8.628 10.485 1.00 50.00 C ATOM 20 CG LYS A 2 13.521 8.357 9.232 1.00 50.00 C ATOM 21 CD LYS A 2 12.690 9.597 8.896 1.00 50.00 C ATOM 22 CE LYS A 2 12.182 9.499 7.456 1.00 50.00 C ATOM 23 NZ LYS A 2 13.411 9.403 6.621 1.00 50.00 N ATOM 0 H LYS A 2 15.071 6.389 8.989 1.00 50.00 H new ATOM 0 HA LYS A 2 15.834 7.542 11.672 1.00 50.00 H new ATOM 0 HB2 LYS A 2 13.717 8.965 11.299 1.00 50.00 H new ATOM 0 HB3 LYS A 2 15.074 9.427 10.291 1.00 50.00 H new ATOM 0 HG2 LYS A 2 14.171 8.104 8.394 1.00 50.00 H new ATOM 0 HG3 LYS A 2 12.866 7.501 9.397 1.00 50.00 H new ATOM 0 HD2 LYS A 2 11.849 9.681 9.584 1.00 50.00 H new ATOM 0 HD3 LYS A 2 13.294 10.496 9.019 1.00 50.00 H new ATOM 0 HE2 LYS A 2 11.544 8.626 7.321 1.00 50.00 H new ATOM 0 HE3 LYS A 2 11.589 10.373 7.186 1.00 50.00 H new ATOM 0 HZ1 LYS A 2 13.242 9.858 5.701 1.00 50.00 H new ATOM 0 HZ2 LYS A 2 14.198 9.882 7.105 1.00 50.00 H new ATOM 0 HZ3 LYS A 2 13.653 8.402 6.473 1.00 50.00 H new ATOM 37 N LEU A 3 13.918 6.304 12.740 1.00 50.00 N ATOM 38 CA LEU A 3 12.975 5.316 13.339 1.00 50.00 C ATOM 39 C LEU A 3 11.690 6.016 13.788 1.00 50.00 C ATOM 40 O LEU A 3 11.634 6.615 14.843 1.00 50.00 O ATOM 41 CB LEU A 3 13.720 4.736 14.541 1.00 50.00 C ATOM 42 CG LEU A 3 14.193 5.874 15.447 1.00 50.00 C ATOM 43 CD1 LEU A 3 13.774 5.587 16.890 1.00 50.00 C ATOM 44 CD2 LEU A 3 15.718 5.982 15.374 1.00 50.00 C ATOM 0 H LEU A 3 14.368 6.934 13.405 1.00 50.00 H new ATOM 0 HA LEU A 3 12.682 4.542 12.630 1.00 50.00 H new ATOM 0 HB2 LEU A 3 13.067 4.063 15.096 1.00 50.00 H new ATOM 0 HB3 LEU A 3 14.573 4.147 14.204 1.00 50.00 H new ATOM 0 HG LEU A 3 13.744 6.811 15.117 1.00 50.00 H new ATOM 0 HD11 LEU A 3 14.111 6.398 17.535 1.00 50.00 H new ATOM 0 HD12 LEU A 3 12.688 5.508 16.945 1.00 50.00 H new ATOM 0 HD13 LEU A 3 14.223 4.650 17.220 1.00 50.00 H new ATOM 0 HD21 LEU A 3 16.057 6.793 16.019 1.00 50.00 H new ATOM 0 HD22 LEU A 3 16.165 5.044 15.704 1.00 50.00 H new ATOM 0 HD23 LEU A 3 16.020 6.186 14.347 1.00 50.00 H new ATOM 56 N ALA A 4 10.658 5.949 12.992 1.00 50.00 N ATOM 57 CA ALA A 4 9.379 6.613 13.373 1.00 50.00 C ATOM 58 C ALA A 4 8.292 5.566 13.631 1.00 50.00 C ATOM 59 O ALA A 4 8.109 4.643 12.863 1.00 50.00 O ATOM 60 CB ALA A 4 9.010 7.482 12.171 1.00 50.00 C ATOM 0 H ALA A 4 10.645 5.464 12.095 1.00 50.00 H new ATOM 0 HA ALA A 4 9.477 7.199 14.287 1.00 50.00 H new ATOM 0 HB1 ALA A 4 8.076 8.006 12.374 1.00 50.00 H new ATOM 0 HB2 ALA A 4 9.802 8.209 11.991 1.00 50.00 H new ATOM 0 HB3 ALA A 4 8.889 6.852 11.290 1.00 50.00 H new ATOM 66 N LEU A 5 7.566 5.708 14.705 1.00 50.00 N ATOM 67 CA LEU A 5 6.486 4.730 15.013 1.00 50.00 C ATOM 68 C LEU A 5 5.122 5.403 14.864 1.00 50.00 C ATOM 69 O LEU A 5 5.029 6.605 14.706 1.00 50.00 O ATOM 70 CB LEU A 5 6.728 4.313 16.465 1.00 50.00 C ATOM 71 CG LEU A 5 7.377 2.928 16.496 1.00 50.00 C ATOM 72 CD1 LEU A 5 6.521 1.945 15.696 1.00 50.00 C ATOM 73 CD2 LEU A 5 8.773 3.007 15.875 1.00 50.00 C ATOM 0 H LEU A 5 7.675 6.461 15.384 1.00 50.00 H new ATOM 0 HA LEU A 5 6.495 3.871 14.342 1.00 50.00 H new ATOM 0 HB2 LEU A 5 7.372 5.039 16.961 1.00 50.00 H new ATOM 0 HB3 LEU A 5 5.785 4.297 17.012 1.00 50.00 H new ATOM 0 HG LEU A 5 7.455 2.586 17.528 1.00 50.00 H new ATOM 0 HD11 LEU A 5 6.983 0.958 15.718 1.00 50.00 H new ATOM 0 HD12 LEU A 5 5.525 1.889 16.135 1.00 50.00 H new ATOM 0 HD13 LEU A 5 6.444 2.286 14.664 1.00 50.00 H new ATOM 0 HD21 LEU A 5 9.237 2.021 15.896 1.00 50.00 H new ATOM 0 HD22 LEU A 5 8.693 3.348 14.843 1.00 50.00 H new ATOM 0 HD23 LEU A 5 9.385 3.708 16.443 1.00 50.00 H new ATOM 85 N LYS A 6 4.064 4.646 14.906 1.00 50.00 N ATOM 86 CA LYS A 6 2.714 5.259 14.761 1.00 50.00 C ATOM 87 C LYS A 6 2.047 5.407 16.131 1.00 50.00 C ATOM 88 O LYS A 6 2.187 4.566 16.996 1.00 50.00 O ATOM 89 CB LYS A 6 1.928 4.289 13.881 1.00 50.00 C ATOM 90 CG LYS A 6 0.433 4.599 13.990 1.00 50.00 C ATOM 91 CD LYS A 6 -0.305 3.973 12.805 1.00 50.00 C ATOM 92 CE LYS A 6 -1.225 2.858 13.310 1.00 50.00 C ATOM 93 NZ LYS A 6 -1.181 1.815 12.247 1.00 50.00 N ATOM 0 H LYS A 6 4.073 3.634 15.034 1.00 50.00 H new ATOM 0 HA LYS A 6 2.760 6.257 14.324 1.00 50.00 H new ATOM 0 HB2 LYS A 6 2.254 4.376 12.844 1.00 50.00 H new ATOM 0 HB3 LYS A 6 2.121 3.262 14.191 1.00 50.00 H new ATOM 0 HG2 LYS A 6 0.037 4.207 14.927 1.00 50.00 H new ATOM 0 HG3 LYS A 6 0.274 5.677 14.003 1.00 50.00 H new ATOM 0 HD2 LYS A 6 -0.888 4.732 12.283 1.00 50.00 H new ATOM 0 HD3 LYS A 6 0.411 3.572 12.087 1.00 50.00 H new ATOM 0 HE2 LYS A 6 -0.880 2.463 14.266 1.00 50.00 H new ATOM 0 HE3 LYS A 6 -2.241 3.223 13.464 1.00 50.00 H new ATOM 0 HZ1 LYS A 6 -1.788 1.016 12.520 1.00 50.00 H new ATOM 0 HZ2 LYS A 6 -1.521 2.218 11.351 1.00 50.00 H new ATOM 0 HZ3 LYS A 6 -0.203 1.482 12.128 1.00 50.00 H new ATOM 107 N GLY A 7 1.322 6.473 16.332 1.00 50.00 N ATOM 108 CA GLY A 7 0.646 6.678 17.644 1.00 50.00 C ATOM 109 C GLY A 7 1.096 8.011 18.244 1.00 50.00 C ATOM 110 O GLY A 7 0.324 8.717 18.863 1.00 50.00 O ATOM 0 H GLY A 7 1.169 7.211 15.645 1.00 50.00 H new ATOM 0 HA2 GLY A 7 -0.436 6.672 17.513 1.00 50.00 H new ATOM 0 HA3 GLY A 7 0.889 5.860 18.323 1.00 50.00 H new ATOM 114 N THR A 8 2.339 8.361 18.063 1.00 50.00 N ATOM 115 CA THR A 8 2.841 9.649 18.620 1.00 50.00 C ATOM 116 C THR A 8 3.638 10.408 17.555 1.00 50.00 C ATOM 117 O THR A 8 4.796 10.129 17.317 1.00 50.00 O ATOM 118 CB THR A 8 3.748 9.248 19.785 1.00 50.00 C ATOM 119 OG1 THR A 8 4.505 8.102 19.422 1.00 50.00 O ATOM 120 CG2 THR A 8 2.893 8.931 21.013 1.00 50.00 C ATOM 0 H THR A 8 3.030 7.810 17.553 1.00 50.00 H new ATOM 0 HA THR A 8 2.032 10.306 18.940 1.00 50.00 H new ATOM 0 HB THR A 8 4.425 10.070 20.019 1.00 50.00 H new ATOM 0 HG1 THR A 8 4.941 8.258 18.559 1.00 50.00 H new ATOM 0 HG21 THR A 8 3.540 8.645 21.843 1.00 50.00 H new ATOM 0 HG22 THR A 8 2.314 9.812 21.291 1.00 50.00 H new ATOM 0 HG23 THR A 8 2.215 8.109 20.782 1.00 50.00 H new ATOM 128 N THR A 9 3.027 11.366 16.914 1.00 50.00 N ATOM 129 CA THR A 9 3.752 12.140 15.866 1.00 50.00 C ATOM 130 C THR A 9 2.885 13.302 15.369 1.00 50.00 C ATOM 131 O THR A 9 1.715 13.393 15.680 1.00 50.00 O ATOM 132 CB THR A 9 4.004 11.139 14.737 1.00 50.00 C ATOM 133 OG1 THR A 9 4.614 11.807 13.642 1.00 50.00 O ATOM 134 CG2 THR A 9 2.676 10.527 14.289 1.00 50.00 C ATOM 0 H THR A 9 2.059 11.646 17.070 1.00 50.00 H new ATOM 0 HA THR A 9 4.679 12.574 16.241 1.00 50.00 H new ATOM 0 HB THR A 9 4.663 10.347 15.093 1.00 50.00 H new ATOM 0 HG1 THR A 9 4.778 11.167 12.918 1.00 50.00 H new ATOM 0 HG21 THR A 9 2.857 9.814 13.485 1.00 50.00 H new ATOM 0 HG22 THR A 9 2.209 10.014 15.130 1.00 50.00 H new ATOM 0 HG23 THR A 9 2.014 11.316 13.932 1.00 50.00 H new ATOM 142 N TYR A 10 3.454 14.186 14.596 1.00 50.00 N ATOM 143 CA TYR A 10 2.667 15.341 14.073 1.00 50.00 C ATOM 144 C TYR A 10 1.338 14.854 13.492 1.00 50.00 C ATOM 145 O TYR A 10 1.049 13.673 13.482 1.00 50.00 O ATOM 146 CB TYR A 10 3.542 15.953 12.978 1.00 50.00 C ATOM 147 CG TYR A 10 4.141 17.246 13.475 1.00 50.00 C ATOM 148 CD1 TYR A 10 4.440 17.404 14.835 1.00 50.00 C ATOM 149 CD2 TYR A 10 4.399 18.289 12.578 1.00 50.00 C ATOM 150 CE1 TYR A 10 4.995 18.603 15.295 1.00 50.00 C ATOM 151 CE2 TYR A 10 4.955 19.488 13.038 1.00 50.00 C ATOM 152 CZ TYR A 10 5.254 19.646 14.397 1.00 50.00 C ATOM 153 OH TYR A 10 5.802 20.828 14.851 1.00 49.57 O ATOM 0 H TYR A 10 4.431 14.159 14.303 1.00 50.00 H new ATOM 0 HA TYR A 10 2.426 16.064 14.852 1.00 50.00 H new ATOM 0 HB2 TYR A 10 4.333 15.257 12.699 1.00 50.00 H new ATOM 0 HB3 TYR A 10 2.948 16.136 12.083 1.00 50.00 H new ATOM 0 HD1 TYR A 10 4.242 16.600 15.528 1.00 50.00 H new ATOM 0 HD2 TYR A 10 4.169 18.168 11.530 1.00 50.00 H new ATOM 0 HE1 TYR A 10 5.224 18.724 16.343 1.00 50.00 H new ATOM 0 HE2 TYR A 10 5.154 20.292 12.345 1.00 50.00 H new ATOM 0 HH TYR A 10 5.918 21.445 14.099 1.00 49.57 H new ATOM 163 N GLY A 11 0.524 15.752 13.009 1.00 50.00 N ATOM 164 CA GLY A 11 -0.786 15.336 12.435 1.00 50.00 C ATOM 165 C GLY A 11 -0.556 14.610 11.108 1.00 50.00 C ATOM 166 O GLY A 11 0.533 14.610 10.569 1.00 50.00 O ATOM 0 H GLY A 11 0.709 16.755 12.987 1.00 50.00 H new ATOM 0 HA2 GLY A 11 -1.310 14.683 13.133 1.00 50.00 H new ATOM 0 HA3 GLY A 11 -1.420 16.209 12.279 1.00 50.00 H new ATOM 170 N MET A 12 -1.573 13.986 10.580 1.00 50.00 N ATOM 171 CA MET A 12 -1.413 13.254 9.290 1.00 50.00 C ATOM 172 C MET A 12 -2.209 13.947 8.185 1.00 50.00 C ATOM 173 O MET A 12 -3.386 14.210 8.330 1.00 50.00 O ATOM 174 CB MET A 12 -1.979 11.859 9.561 1.00 50.00 C ATOM 175 CG MET A 12 -3.498 11.944 9.715 1.00 50.00 C ATOM 176 SD MET A 12 -4.110 10.421 10.482 1.00 50.00 S ATOM 177 CE MET A 12 -5.226 11.199 11.676 1.00 50.00 C ATOM 0 H MET A 12 -2.508 13.951 10.986 1.00 50.00 H new ATOM 0 HA MET A 12 -0.375 13.220 8.959 1.00 50.00 H new ATOM 0 HB2 MET A 12 -1.723 11.186 8.742 1.00 50.00 H new ATOM 0 HB3 MET A 12 -1.534 11.444 10.465 1.00 50.00 H new ATOM 0 HG2 MET A 12 -3.765 12.805 10.327 1.00 50.00 H new ATOM 0 HG3 MET A 12 -3.966 12.088 8.741 1.00 50.00 H new ATOM 0 HE1 MET A 12 -5.720 10.428 12.268 1.00 50.00 H new ATOM 0 HE2 MET A 12 -4.655 11.853 12.335 1.00 50.00 H new ATOM 0 HE3 MET A 12 -5.976 11.785 11.145 1.00 50.00 H new ATOM 187 N CYS A 13 -1.582 14.245 7.078 1.00 99.99 N ATOM 188 CA CYS A 13 -2.324 14.921 5.978 1.00 99.99 C ATOM 189 C CYS A 13 -1.794 14.488 4.605 1.00 99.99 C ATOM 190 O CYS A 13 -0.745 14.912 4.164 1.00 99.99 O ATOM 191 CB CYS A 13 -2.073 16.419 6.185 1.00 99.99 C ATOM 192 SG CYS A 13 -1.182 16.706 7.739 1.00 99.99 S ATOM 0 H CYS A 13 -0.598 14.051 6.890 1.00 99.99 H new ATOM 0 HA CYS A 13 -3.384 14.667 6.000 1.00 99.99 H new ATOM 0 HB2 CYS A 13 -1.496 16.816 5.350 1.00 99.99 H new ATOM 0 HB3 CYS A 13 -3.022 16.954 6.199 1.00 99.99 H new ATOM 197 N THR A 14 -2.533 13.673 3.913 1.00 99.99 N ATOM 198 CA THR A 14 -2.101 13.234 2.554 1.00 99.99 C ATOM 199 C THR A 14 -3.295 12.663 1.786 1.00 99.99 C ATOM 200 O THR A 14 -3.142 11.855 0.892 1.00 99.99 O ATOM 201 CB THR A 14 -1.040 12.161 2.785 1.00 99.99 C ATOM 202 OG1 THR A 14 -0.478 12.323 4.079 1.00 99.99 O ATOM 203 CG2 THR A 14 0.060 12.298 1.732 1.00 99.99 C ATOM 0 H THR A 14 -3.423 13.288 4.229 1.00 99.99 H new ATOM 0 HA THR A 14 -1.705 14.060 1.962 1.00 99.99 H new ATOM 0 HB THR A 14 -1.497 11.175 2.708 1.00 99.99 H new ATOM 0 HG1 THR A 14 -1.156 12.123 4.758 1.00 99.99 H new ATOM 0 HG21 THR A 14 0.818 11.532 1.896 1.00 99.99 H new ATOM 0 HG22 THR A 14 -0.370 12.175 0.738 1.00 99.99 H new ATOM 0 HG23 THR A 14 0.518 13.284 1.810 1.00 99.99 H new ATOM 211 N GLU A 15 -4.485 13.073 2.134 1.00 99.99 N ATOM 212 CA GLU A 15 -5.691 12.551 1.430 1.00 99.99 C ATOM 213 C GLU A 15 -5.511 12.658 -0.086 1.00 99.99 C ATOM 214 O GLU A 15 -6.195 12.005 -0.849 1.00 99.99 O ATOM 215 CB GLU A 15 -6.839 13.444 1.899 1.00 99.99 C ATOM 216 CG GLU A 15 -8.063 13.213 1.009 1.00 99.99 C ATOM 217 CD GLU A 15 -9.337 13.484 1.812 1.00 99.99 C ATOM 218 OE1 GLU A 15 -9.218 13.847 2.971 1.00 99.99 O ATOM 219 OE2 GLU A 15 -10.410 13.327 1.253 1.00 99.99 O ATOM 0 H GLU A 15 -4.674 13.747 2.876 1.00 99.99 H new ATOM 0 HA GLU A 15 -5.875 11.500 1.651 1.00 99.99 H new ATOM 0 HB2 GLU A 15 -7.085 13.223 2.938 1.00 99.99 H new ATOM 0 HB3 GLU A 15 -6.539 14.491 1.858 1.00 99.99 H new ATOM 0 HG2 GLU A 15 -8.022 13.869 0.139 1.00 99.99 H new ATOM 0 HG3 GLU A 15 -8.067 12.189 0.636 1.00 99.99 H new ATOM 226 N LYS A 16 -4.597 13.476 -0.531 1.00 50.00 N ATOM 227 CA LYS A 16 -4.380 13.621 -1.999 1.00 50.00 C ATOM 228 C LYS A 16 -3.611 12.415 -2.547 1.00 50.00 C ATOM 229 O LYS A 16 -2.526 12.549 -3.076 1.00 50.00 O ATOM 230 CB LYS A 16 -3.555 14.898 -2.152 1.00 50.00 C ATOM 231 CG LYS A 16 -4.343 16.085 -1.592 1.00 50.00 C ATOM 232 CD LYS A 16 -5.184 16.710 -2.706 1.00 50.00 C ATOM 233 CE LYS A 16 -4.880 18.206 -2.798 1.00 50.00 C ATOM 234 NZ LYS A 16 -6.213 18.870 -2.785 1.00 50.00 N ATOM 0 H LYS A 16 -3.992 14.049 0.057 1.00 50.00 H new ATOM 0 HA LYS A 16 -5.319 13.672 -2.551 1.00 50.00 H new ATOM 0 HB2 LYS A 16 -2.606 14.796 -1.625 1.00 50.00 H new ATOM 0 HB3 LYS A 16 -3.319 15.068 -3.203 1.00 50.00 H new ATOM 0 HG2 LYS A 16 -4.987 15.755 -0.777 1.00 50.00 H new ATOM 0 HG3 LYS A 16 -3.659 16.826 -1.178 1.00 50.00 H new ATOM 0 HD2 LYS A 16 -4.965 16.225 -3.657 1.00 50.00 H new ATOM 0 HD3 LYS A 16 -6.244 16.555 -2.506 1.00 50.00 H new ATOM 0 HE2 LYS A 16 -4.266 18.536 -1.960 1.00 50.00 H new ATOM 0 HE3 LYS A 16 -4.330 18.442 -3.709 1.00 50.00 H new ATOM 0 HZ1 LYS A 16 -6.088 19.901 -2.845 1.00 50.00 H new ATOM 0 HZ2 LYS A 16 -6.773 18.541 -3.597 1.00 50.00 H new ATOM 0 HZ3 LYS A 16 -6.710 18.633 -1.903 1.00 50.00 H new ATOM 248 N PHE A 17 -4.168 11.239 -2.433 1.00 50.00 N ATOM 249 CA PHE A 17 -3.468 10.032 -2.959 1.00 50.00 C ATOM 250 C PHE A 17 -4.030 9.660 -4.332 1.00 50.00 C ATOM 251 O PHE A 17 -5.223 9.707 -4.559 1.00 50.00 O ATOM 252 CB PHE A 17 -3.759 8.922 -1.951 1.00 50.00 C ATOM 253 CG PHE A 17 -2.464 8.459 -1.325 1.00 50.00 C ATOM 254 CD1 PHE A 17 -1.457 9.387 -1.033 1.00 50.00 C ATOM 255 CD2 PHE A 17 -2.271 7.103 -1.040 1.00 50.00 C ATOM 256 CE1 PHE A 17 -0.256 8.957 -0.455 1.00 50.00 C ATOM 257 CE2 PHE A 17 -1.070 6.673 -0.462 1.00 50.00 C ATOM 258 CZ PHE A 17 -0.062 7.600 -0.170 1.00 50.00 C ATOM 0 H PHE A 17 -5.074 11.062 -2.000 1.00 50.00 H new ATOM 0 HA PHE A 17 -2.398 10.199 -3.079 1.00 50.00 H new ATOM 0 HB2 PHE A 17 -4.439 9.285 -1.180 1.00 50.00 H new ATOM 0 HB3 PHE A 17 -4.255 8.087 -2.446 1.00 50.00 H new ATOM 0 HD1 PHE A 17 -1.606 10.434 -1.253 1.00 50.00 H new ATOM 0 HD2 PHE A 17 -3.048 6.388 -1.266 1.00 50.00 H new ATOM 0 HE1 PHE A 17 0.521 9.672 -0.229 1.00 50.00 H new ATOM 0 HE2 PHE A 17 -0.921 5.626 -0.241 1.00 50.00 H new ATOM 0 HZ PHE A 17 0.865 7.268 0.275 1.00 50.00 H new ATOM 268 N SER A 18 -3.182 9.290 -5.250 1.00 50.00 N ATOM 269 CA SER A 18 -3.673 8.918 -6.608 1.00 50.00 C ATOM 270 C SER A 18 -3.124 7.551 -7.024 1.00 50.00 C ATOM 271 O SER A 18 -2.015 7.441 -7.507 1.00 50.00 O ATOM 272 CB SER A 18 -3.139 10.010 -7.532 1.00 50.00 C ATOM 273 OG SER A 18 -3.278 9.591 -8.884 1.00 50.00 O ATOM 0 H SER A 18 -2.172 9.229 -5.120 1.00 50.00 H new ATOM 0 HA SER A 18 -4.760 8.843 -6.643 1.00 50.00 H new ATOM 0 HB2 SER A 18 -3.685 10.939 -7.369 1.00 50.00 H new ATOM 0 HB3 SER A 18 -2.092 10.212 -7.308 1.00 50.00 H new ATOM 0 HG SER A 18 -2.937 10.291 -9.480 1.00 50.00 H new ATOM 279 N PHE A 19 -3.889 6.507 -6.852 1.00 50.00 N ATOM 280 CA PHE A 19 -3.399 5.159 -7.250 1.00 50.00 C ATOM 281 C PHE A 19 -3.003 5.166 -8.728 1.00 50.00 C ATOM 282 O PHE A 19 -3.816 5.404 -9.599 1.00 50.00 O ATOM 283 CB PHE A 19 -4.575 4.210 -7.005 1.00 50.00 C ATOM 284 CG PHE A 19 -5.872 4.859 -7.430 1.00 50.00 C ATOM 285 CD1 PHE A 19 -6.243 4.863 -8.780 1.00 50.00 C ATOM 286 CD2 PHE A 19 -6.705 5.450 -6.473 1.00 50.00 C ATOM 287 CE1 PHE A 19 -7.447 5.461 -9.173 1.00 50.00 C ATOM 288 CE2 PHE A 19 -7.908 6.048 -6.865 1.00 50.00 C ATOM 289 CZ PHE A 19 -8.280 6.053 -8.215 1.00 50.00 C ATOM 0 H PHE A 19 -4.828 6.530 -6.455 1.00 50.00 H new ATOM 0 HA PHE A 19 -2.518 4.854 -6.685 1.00 50.00 H new ATOM 0 HB2 PHE A 19 -4.425 3.284 -7.560 1.00 50.00 H new ATOM 0 HB3 PHE A 19 -4.623 3.944 -5.949 1.00 50.00 H new ATOM 0 HD1 PHE A 19 -5.601 4.405 -9.518 1.00 50.00 H new ATOM 0 HD2 PHE A 19 -6.419 5.445 -5.432 1.00 50.00 H new ATOM 0 HE1 PHE A 19 -7.733 5.466 -10.214 1.00 50.00 H new ATOM 0 HE2 PHE A 19 -8.549 6.506 -6.126 1.00 50.00 H new ATOM 0 HZ PHE A 19 -9.209 6.513 -8.518 1.00 50.00 H new ATOM 299 N ALA A 20 -1.756 4.916 -9.017 1.00 50.00 N ATOM 300 CA ALA A 20 -1.304 4.916 -10.436 1.00 50.00 C ATOM 301 C ALA A 20 -1.032 3.488 -10.916 1.00 50.00 C ATOM 302 O ALA A 20 -0.997 3.221 -12.100 1.00 50.00 O ATOM 303 CB ALA A 20 -0.012 5.735 -10.436 1.00 50.00 C ATOM 0 H ALA A 20 -1.030 4.711 -8.331 1.00 50.00 H new ATOM 0 HA ALA A 20 -2.057 5.332 -11.106 1.00 50.00 H new ATOM 0 HB1 ALA A 20 0.388 5.784 -11.449 1.00 50.00 H new ATOM 0 HB2 ALA A 20 -0.221 6.744 -10.079 1.00 50.00 H new ATOM 0 HB3 ALA A 20 0.719 5.262 -9.780 1.00 50.00 H new ATOM 309 N LYS A 21 -0.835 2.568 -10.010 1.00 50.00 N ATOM 310 CA LYS A 21 -0.561 1.164 -10.433 1.00 50.00 C ATOM 311 C LYS A 21 -1.273 0.172 -9.509 1.00 50.00 C ATOM 312 O LYS A 21 -1.495 0.440 -8.346 1.00 50.00 O ATOM 313 CB LYS A 21 0.956 1.007 -10.321 1.00 50.00 C ATOM 314 CG LYS A 21 1.643 2.228 -10.937 1.00 50.00 C ATOM 315 CD LYS A 21 3.080 1.867 -11.319 1.00 50.00 C ATOM 316 CE LYS A 21 3.819 3.127 -11.777 1.00 50.00 C ATOM 317 NZ LYS A 21 3.451 3.291 -13.210 1.00 50.00 N ATOM 0 H LYS A 21 -0.852 2.726 -9.002 1.00 50.00 H new ATOM 0 HA LYS A 21 -0.922 0.964 -11.442 1.00 50.00 H new ATOM 0 HB2 LYS A 21 1.245 0.903 -9.275 1.00 50.00 H new ATOM 0 HB3 LYS A 21 1.277 0.099 -10.832 1.00 50.00 H new ATOM 0 HG2 LYS A 21 1.094 2.561 -11.818 1.00 50.00 H new ATOM 0 HG3 LYS A 21 1.641 3.056 -10.228 1.00 50.00 H new ATOM 0 HD2 LYS A 21 3.593 1.421 -10.467 1.00 50.00 H new ATOM 0 HD3 LYS A 21 3.080 1.123 -12.116 1.00 50.00 H new ATOM 0 HE2 LYS A 21 3.519 3.995 -11.191 1.00 50.00 H new ATOM 0 HE3 LYS A 21 4.897 3.018 -11.656 1.00 50.00 H new ATOM 0 HZ1 LYS A 21 3.960 4.106 -13.608 1.00 50.00 H new ATOM 0 HZ2 LYS A 21 3.709 2.431 -13.735 1.00 50.00 H new ATOM 0 HZ3 LYS A 21 2.426 3.450 -13.289 1.00 50.00 H new ATOM 331 N ASN A 22 -1.629 -0.974 -10.024 1.00 50.00 N ATOM 332 CA ASN A 22 -2.323 -1.989 -9.183 1.00 50.00 C ATOM 333 C ASN A 22 -1.369 -2.529 -8.113 1.00 50.00 C ATOM 334 O ASN A 22 -0.172 -2.333 -8.191 1.00 50.00 O ATOM 335 CB ASN A 22 -2.722 -3.100 -10.154 1.00 50.00 C ATOM 336 CG ASN A 22 -4.194 -2.936 -10.541 1.00 50.00 C ATOM 337 OD1 ASN A 22 -5.017 -3.766 -10.210 1.00 50.00 O ATOM 338 ND2 ASN A 22 -4.562 -1.893 -11.233 1.00 50.00 N ATOM 0 H ASN A 22 -1.468 -1.251 -10.993 1.00 50.00 H new ATOM 0 HA ASN A 22 -3.185 -1.574 -8.661 1.00 50.00 H new ATOM 0 HB2 ASN A 22 -2.095 -3.062 -11.044 1.00 50.00 H new ATOM 0 HB3 ASN A 22 -2.563 -4.075 -9.693 1.00 50.00 H new ATOM 0 HD21 ASN A 22 -5.540 -1.775 -11.496 1.00 50.00 H new ATOM 0 HD22 ASN A 22 -3.871 -1.196 -11.511 1.00 50.00 H new ATOM 345 N PRO A 23 -1.938 -3.192 -7.145 1.00 50.00 N ATOM 346 CA PRO A 23 -1.134 -3.767 -6.038 1.00 50.00 C ATOM 347 C PRO A 23 -0.344 -4.984 -6.531 1.00 50.00 C ATOM 348 O PRO A 23 -0.817 -5.759 -7.339 1.00 50.00 O ATOM 349 CB PRO A 23 -2.184 -4.179 -5.011 1.00 50.00 C ATOM 350 CG PRO A 23 -3.437 -4.389 -5.800 1.00 50.00 C ATOM 351 CD PRO A 23 -3.370 -3.466 -6.989 1.00 50.00 C ATOM 0 HA PRO A 23 -0.399 -3.071 -5.633 1.00 50.00 H new ATOM 0 HB2 PRO A 23 -1.889 -5.089 -4.489 1.00 50.00 H new ATOM 0 HB3 PRO A 23 -2.319 -3.407 -4.254 1.00 50.00 H new ATOM 0 HG2 PRO A 23 -3.520 -5.427 -6.122 1.00 50.00 H new ATOM 0 HG3 PRO A 23 -4.316 -4.172 -5.193 1.00 50.00 H new ATOM 0 HD2 PRO A 23 -3.786 -3.934 -7.881 1.00 50.00 H new ATOM 0 HD3 PRO A 23 -3.935 -2.550 -6.816 1.00 50.00 H new ATOM 359 N ALA A 24 0.858 -5.156 -6.052 1.00 50.00 N ATOM 360 CA ALA A 24 1.678 -6.322 -6.494 1.00 50.00 C ATOM 361 C ALA A 24 2.315 -7.011 -5.284 1.00 50.00 C ATOM 362 O ALA A 24 2.561 -6.396 -4.266 1.00 50.00 O ATOM 363 CB ALA A 24 2.754 -5.726 -7.403 1.00 50.00 C ATOM 0 H ALA A 24 1.308 -4.541 -5.374 1.00 50.00 H new ATOM 0 HA ALA A 24 1.082 -7.076 -7.008 1.00 50.00 H new ATOM 0 HB1 ALA A 24 3.401 -6.522 -7.771 1.00 50.00 H new ATOM 0 HB2 ALA A 24 2.280 -5.224 -8.247 1.00 50.00 H new ATOM 0 HB3 ALA A 24 3.348 -5.006 -6.840 1.00 50.00 H new ATOM 369 N ASP A 25 2.582 -8.285 -5.388 1.00 50.00 N ATOM 370 CA ASP A 25 3.201 -9.013 -4.243 1.00 50.00 C ATOM 371 C ASP A 25 4.727 -9.012 -4.374 1.00 50.00 C ATOM 372 O ASP A 25 5.271 -9.328 -5.413 1.00 50.00 O ATOM 373 CB ASP A 25 2.657 -10.438 -4.341 1.00 50.00 C ATOM 374 CG ASP A 25 2.963 -11.008 -5.727 1.00 50.00 C ATOM 375 OD1 ASP A 25 4.035 -11.564 -5.894 1.00 50.00 O ATOM 376 OD2 ASP A 25 2.119 -10.878 -6.599 1.00 50.00 O ATOM 0 H ASP A 25 2.399 -8.853 -6.215 1.00 50.00 H new ATOM 0 HA ASP A 25 2.966 -8.550 -3.285 1.00 50.00 H new ATOM 0 HB2 ASP A 25 3.108 -11.064 -3.571 1.00 50.00 H new ATOM 0 HB3 ASP A 25 1.581 -10.441 -4.165 1.00 50.00 H new ATOM 381 N THR A 26 5.420 -8.660 -3.326 1.00 50.00 N ATOM 382 CA THR A 26 6.911 -8.641 -3.389 1.00 50.00 C ATOM 383 C THR A 26 7.480 -9.900 -2.729 1.00 50.00 C ATOM 384 O THR A 26 7.835 -10.855 -3.391 1.00 50.00 O ATOM 385 CB THR A 26 7.327 -7.392 -2.611 1.00 50.00 C ATOM 386 OG1 THR A 26 6.204 -6.875 -1.910 1.00 50.00 O ATOM 387 CG2 THR A 26 7.854 -6.334 -3.583 1.00 50.00 C ATOM 0 H THR A 26 5.020 -8.385 -2.429 1.00 50.00 H new ATOM 0 HA THR A 26 7.282 -8.622 -4.414 1.00 50.00 H new ATOM 0 HB THR A 26 8.111 -7.652 -1.900 1.00 50.00 H new ATOM 0 HG1 THR A 26 6.073 -7.383 -1.082 1.00 50.00 H new ATOM 0 HG21 THR A 26 8.150 -5.444 -3.027 1.00 50.00 H new ATOM 0 HG22 THR A 26 8.716 -6.730 -4.120 1.00 50.00 H new ATOM 0 HG23 THR A 26 7.072 -6.073 -4.296 1.00 50.00 H new ATOM 395 N GLY A 27 7.568 -9.909 -1.426 1.00 50.00 N ATOM 396 CA GLY A 27 8.112 -11.106 -0.723 1.00 50.00 C ATOM 397 C GLY A 27 6.993 -12.130 -0.521 1.00 50.00 C ATOM 398 O GLY A 27 6.528 -12.748 -1.458 1.00 50.00 O ATOM 0 H GLY A 27 7.287 -9.139 -0.818 1.00 50.00 H new ATOM 0 HA2 GLY A 27 8.922 -11.546 -1.305 1.00 50.00 H new ATOM 0 HA3 GLY A 27 8.532 -10.816 0.240 1.00 50.00 H new ATOM 402 N HIS A 28 6.554 -12.311 0.695 1.00 50.00 N ATOM 403 CA HIS A 28 5.463 -13.295 0.953 1.00 50.00 C ATOM 404 C HIS A 28 4.355 -12.647 1.786 1.00 50.00 C ATOM 405 O HIS A 28 4.440 -12.565 2.995 1.00 50.00 O ATOM 406 CB HIS A 28 6.126 -14.428 1.736 1.00 50.00 C ATOM 407 CG HIS A 28 5.473 -15.734 1.377 1.00 50.00 C ATOM 408 ND1 HIS A 28 4.116 -15.956 1.555 1.00 50.00 N ATOM 409 CD2 HIS A 28 5.977 -16.898 0.852 1.00 50.00 C ATOM 410 CE1 HIS A 28 3.852 -17.209 1.142 1.00 50.00 C ATOM 411 NE2 HIS A 28 4.952 -17.828 0.703 1.00 50.00 N ATOM 0 H HIS A 28 6.902 -11.822 1.519 1.00 50.00 H new ATOM 0 HA HIS A 28 5.003 -13.652 0.031 1.00 50.00 H new ATOM 0 HB2 HIS A 28 7.191 -14.467 1.508 1.00 50.00 H new ATOM 0 HB3 HIS A 28 6.035 -14.246 2.807 1.00 50.00 H new ATOM 0 HD2 HIS A 28 7.012 -17.067 0.594 1.00 50.00 H new ATOM 0 HE1 HIS A 28 2.871 -17.660 1.163 1.00 50.00 H new ATOM 0 HE2 HIS A 28 5.025 -18.777 0.337 1.00 50.00 H new ATOM 419 N GLY A 29 3.313 -12.184 1.148 1.00 50.00 N ATOM 420 CA GLY A 29 2.201 -11.541 1.904 1.00 50.00 C ATOM 421 C GLY A 29 2.380 -10.022 1.885 1.00 50.00 C ATOM 422 O GLY A 29 1.683 -9.298 2.568 1.00 50.00 O ATOM 0 H GLY A 29 3.185 -12.224 0.137 1.00 50.00 H new ATOM 0 HA2 GLY A 29 1.243 -11.810 1.460 1.00 50.00 H new ATOM 0 HA3 GLY A 29 2.189 -11.903 2.932 1.00 50.00 H new ATOM 426 N THR A 30 3.308 -9.535 1.108 1.00 50.00 N ATOM 427 CA THR A 30 3.531 -8.061 1.048 1.00 50.00 C ATOM 428 C THR A 30 2.926 -7.485 -0.235 1.00 50.00 C ATOM 429 O THR A 30 3.191 -7.956 -1.323 1.00 50.00 O ATOM 430 CB THR A 30 5.050 -7.889 1.048 1.00 50.00 C ATOM 431 OG1 THR A 30 5.598 -8.540 -0.090 1.00 50.00 O ATOM 432 CG2 THR A 30 5.636 -8.502 2.320 1.00 50.00 C ATOM 0 H THR A 30 3.921 -10.092 0.513 1.00 50.00 H new ATOM 0 HA THR A 30 3.062 -7.539 1.882 1.00 50.00 H new ATOM 0 HB THR A 30 5.295 -6.828 1.014 1.00 50.00 H new ATOM 0 HG1 THR A 30 5.725 -9.492 0.107 1.00 50.00 H new ATOM 0 HG21 THR A 30 6.719 -8.378 2.318 1.00 50.00 H new ATOM 0 HG22 THR A 30 5.215 -8.002 3.192 1.00 50.00 H new ATOM 0 HG23 THR A 30 5.392 -9.564 2.358 1.00 50.00 H new ATOM 440 N VAL A 31 2.119 -6.467 -0.114 1.00 50.00 N ATOM 441 CA VAL A 31 1.502 -5.857 -1.318 1.00 50.00 C ATOM 442 C VAL A 31 2.106 -4.475 -1.569 1.00 50.00 C ATOM 443 O VAL A 31 2.319 -3.705 -0.654 1.00 50.00 O ATOM 444 CB VAL A 31 0.013 -5.749 -0.991 1.00 50.00 C ATOM 445 CG1 VAL A 31 -0.746 -5.248 -2.221 1.00 50.00 C ATOM 446 CG2 VAL A 31 -0.521 -7.126 -0.591 1.00 50.00 C ATOM 0 H VAL A 31 1.861 -6.032 0.772 1.00 50.00 H new ATOM 0 HA VAL A 31 1.673 -6.446 -2.219 1.00 50.00 H new ATOM 0 HB VAL A 31 -0.128 -5.049 -0.167 1.00 50.00 H new ATOM 0 HG11 VAL A 31 -1.808 -5.171 -1.987 1.00 50.00 H new ATOM 0 HG12 VAL A 31 -0.366 -4.268 -2.509 1.00 50.00 H new ATOM 0 HG13 VAL A 31 -0.606 -5.948 -3.045 1.00 50.00 H new ATOM 0 HG21 VAL A 31 -1.583 -7.051 -0.357 1.00 50.00 H new ATOM 0 HG22 VAL A 31 -0.380 -7.825 -1.416 1.00 50.00 H new ATOM 0 HG23 VAL A 31 0.019 -7.485 0.285 1.00 50.00 H new ATOM 456 N VAL A 32 2.395 -4.157 -2.801 1.00 50.00 N ATOM 457 CA VAL A 32 2.998 -2.828 -3.101 1.00 50.00 C ATOM 458 C VAL A 32 2.067 -2.009 -4.000 1.00 50.00 C ATOM 459 O VAL A 32 1.412 -2.534 -4.878 1.00 50.00 O ATOM 460 CB VAL A 32 4.306 -3.144 -3.827 1.00 50.00 C ATOM 461 CG1 VAL A 32 5.305 -2.013 -3.586 1.00 50.00 C ATOM 462 CG2 VAL A 32 4.887 -4.456 -3.290 1.00 50.00 C ATOM 0 H VAL A 32 2.240 -4.758 -3.610 1.00 50.00 H new ATOM 0 HA VAL A 32 3.163 -2.237 -2.200 1.00 50.00 H new ATOM 0 HB VAL A 32 4.113 -3.242 -4.895 1.00 50.00 H new ATOM 0 HG11 VAL A 32 6.239 -2.236 -4.103 1.00 50.00 H new ATOM 0 HG12 VAL A 32 4.894 -1.078 -3.966 1.00 50.00 H new ATOM 0 HG13 VAL A 32 5.496 -1.918 -2.517 1.00 50.00 H new ATOM 0 HG21 VAL A 32 5.819 -4.680 -3.808 1.00 50.00 H new ATOM 0 HG22 VAL A 32 5.080 -4.358 -2.222 1.00 50.00 H new ATOM 0 HG23 VAL A 32 4.175 -5.265 -3.457 1.00 50.00 H new ATOM 472 N ILE A 33 2.009 -0.722 -3.789 1.00 50.00 N ATOM 473 CA ILE A 33 1.126 0.139 -4.629 1.00 50.00 C ATOM 474 C ILE A 33 1.809 1.483 -4.888 1.00 50.00 C ATOM 475 O ILE A 33 2.517 2.001 -4.048 1.00 50.00 O ATOM 476 CB ILE A 33 -0.148 0.330 -3.807 1.00 50.00 C ATOM 477 CG1 ILE A 33 -1.133 1.200 -4.590 1.00 50.00 C ATOM 478 CG2 ILE A 33 0.197 1.015 -2.482 1.00 50.00 C ATOM 479 CD1 ILE A 33 -2.565 0.757 -4.285 1.00 50.00 C ATOM 0 H ILE A 33 2.536 -0.228 -3.069 1.00 50.00 H new ATOM 0 HA ILE A 33 0.913 -0.306 -5.601 1.00 50.00 H new ATOM 0 HB ILE A 33 -0.600 -0.641 -3.606 1.00 50.00 H new ATOM 0 HG12 ILE A 33 -1.001 2.248 -4.321 1.00 50.00 H new ATOM 0 HG13 ILE A 33 -0.936 1.118 -5.659 1.00 50.00 H new ATOM 0 HG21 ILE A 33 -0.712 1.151 -1.896 1.00 50.00 H new ATOM 0 HG22 ILE A 33 0.899 0.396 -1.924 1.00 50.00 H new ATOM 0 HG23 ILE A 33 0.649 1.986 -2.682 1.00 50.00 H new ATOM 0 HD11 ILE A 33 -3.265 1.378 -4.844 1.00 50.00 H new ATOM 0 HD12 ILE A 33 -2.693 -0.286 -4.576 1.00 50.00 H new ATOM 0 HD13 ILE A 33 -2.759 0.862 -3.218 1.00 50.00 H new ATOM 491 N GLU A 34 1.610 2.050 -6.046 1.00 50.00 N ATOM 492 CA GLU A 34 2.261 3.356 -6.350 1.00 50.00 C ATOM 493 C GLU A 34 1.210 4.449 -6.561 1.00 50.00 C ATOM 494 O GLU A 34 0.594 4.536 -7.605 1.00 50.00 O ATOM 495 CB GLU A 34 3.046 3.113 -7.639 1.00 50.00 C ATOM 496 CG GLU A 34 4.288 4.007 -7.657 1.00 50.00 C ATOM 497 CD GLU A 34 5.035 3.814 -8.978 1.00 50.00 C ATOM 498 OE1 GLU A 34 4.982 2.718 -9.510 1.00 50.00 O ATOM 499 OE2 GLU A 34 5.646 4.767 -9.435 1.00 50.00 O ATOM 0 H GLU A 34 1.028 1.668 -6.792 1.00 50.00 H new ATOM 0 HA GLU A 34 2.901 3.693 -5.534 1.00 50.00 H new ATOM 0 HB2 GLU A 34 3.338 2.065 -7.707 1.00 50.00 H new ATOM 0 HB3 GLU A 34 2.419 3.326 -8.505 1.00 50.00 H new ATOM 0 HG2 GLU A 34 3.999 5.051 -7.539 1.00 50.00 H new ATOM 0 HG3 GLU A 34 4.939 3.760 -6.819 1.00 50.00 H new ATOM 506 N LEU A 35 1.008 5.289 -5.584 1.00 50.00 N ATOM 507 CA LEU A 35 0.005 6.385 -5.733 1.00 50.00 C ATOM 508 C LEU A 35 0.721 7.736 -5.739 1.00 50.00 C ATOM 509 O LEU A 35 1.615 7.972 -4.956 1.00 50.00 O ATOM 510 CB LEU A 35 -0.908 6.267 -4.513 1.00 50.00 C ATOM 511 CG LEU A 35 -1.226 4.795 -4.259 1.00 50.00 C ATOM 512 CD1 LEU A 35 -0.097 4.170 -3.441 1.00 50.00 C ATOM 513 CD2 LEU A 35 -2.541 4.683 -3.484 1.00 50.00 C ATOM 0 H LEU A 35 1.494 5.265 -4.687 1.00 50.00 H new ATOM 0 HA LEU A 35 -0.559 6.310 -6.663 1.00 50.00 H new ATOM 0 HB2 LEU A 35 -0.424 6.702 -3.639 1.00 50.00 H new ATOM 0 HB3 LEU A 35 -1.829 6.826 -4.678 1.00 50.00 H new ATOM 0 HG LEU A 35 -1.322 4.272 -5.210 1.00 50.00 H new ATOM 0 HD11 LEU A 35 -0.320 3.119 -3.257 1.00 50.00 H new ATOM 0 HD12 LEU A 35 0.840 4.251 -3.992 1.00 50.00 H new ATOM 0 HD13 LEU A 35 -0.005 4.693 -2.489 1.00 50.00 H new ATOM 0 HD21 LEU A 35 -2.768 3.632 -3.303 1.00 50.00 H new ATOM 0 HD22 LEU A 35 -2.447 5.204 -2.531 1.00 50.00 H new ATOM 0 HD23 LEU A 35 -3.346 5.133 -4.066 1.00 50.00 H new ATOM 525 N SER A 36 0.340 8.622 -6.613 1.00 50.00 N ATOM 526 CA SER A 36 1.007 9.944 -6.668 1.00 50.00 C ATOM 527 C SER A 36 0.348 10.899 -5.682 1.00 50.00 C ATOM 528 O SER A 36 -0.860 11.042 -5.659 1.00 50.00 O ATOM 529 CB SER A 36 0.808 10.429 -8.104 1.00 50.00 C ATOM 530 OG SER A 36 0.354 9.348 -8.908 1.00 50.00 O ATOM 0 H SER A 36 -0.408 8.484 -7.293 1.00 50.00 H new ATOM 0 HA SER A 36 2.063 9.890 -6.403 1.00 50.00 H new ATOM 0 HB2 SER A 36 0.084 11.243 -8.128 1.00 50.00 H new ATOM 0 HB3 SER A 36 1.744 10.823 -8.500 1.00 50.00 H new ATOM 0 HG SER A 36 0.224 9.657 -9.829 1.00 50.00 H new ATOM 536 N TYR A 37 1.119 11.554 -4.862 1.00 50.00 N ATOM 537 CA TYR A 37 0.503 12.490 -3.888 1.00 50.00 C ATOM 538 C TYR A 37 0.524 13.914 -4.450 1.00 50.00 C ATOM 539 O TYR A 37 1.526 14.598 -4.400 1.00 50.00 O ATOM 540 CB TYR A 37 1.366 12.386 -2.628 1.00 50.00 C ATOM 541 CG TYR A 37 1.177 13.621 -1.779 1.00 50.00 C ATOM 542 CD1 TYR A 37 -0.080 13.912 -1.235 1.00 50.00 C ATOM 543 CD2 TYR A 37 2.259 14.476 -1.535 1.00 50.00 C ATOM 544 CE1 TYR A 37 -0.255 15.056 -0.448 1.00 50.00 C ATOM 545 CE2 TYR A 37 2.084 15.621 -0.748 1.00 50.00 C ATOM 546 CZ TYR A 37 0.827 15.910 -0.205 1.00 50.00 C ATOM 547 OH TYR A 37 0.654 17.038 0.572 1.00 49.57 O ATOM 0 H TYR A 37 2.136 11.483 -4.824 1.00 50.00 H new ATOM 0 HA TYR A 37 -0.539 12.247 -3.678 1.00 50.00 H new ATOM 0 HB2 TYR A 37 1.092 11.497 -2.060 1.00 50.00 H new ATOM 0 HB3 TYR A 37 2.415 12.278 -2.902 1.00 50.00 H new ATOM 0 HD1 TYR A 37 -0.915 13.253 -1.423 1.00 50.00 H new ATOM 0 HD2 TYR A 37 3.229 14.252 -1.954 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -1.225 15.280 -0.028 1.00 50.00 H new ATOM 0 HE2 TYR A 37 2.918 16.280 -0.560 1.00 50.00 H new ATOM 0 HH TYR A 37 1.450 17.179 1.126 1.00 49.57 H new ATOM 557 N SER A 38 -0.575 14.366 -4.990 1.00 50.00 N ATOM 558 CA SER A 38 -0.616 15.737 -5.556 1.00 50.00 C ATOM 559 C SER A 38 -1.193 16.713 -4.530 1.00 50.00 C ATOM 560 O SER A 38 -2.307 17.180 -4.659 1.00 50.00 O ATOM 561 CB SER A 38 -1.529 15.640 -6.778 1.00 50.00 C ATOM 562 OG SER A 38 -0.904 14.833 -7.767 1.00 50.00 O ATOM 0 H SER A 38 -1.446 13.841 -5.062 1.00 50.00 H new ATOM 0 HA SER A 38 0.376 16.103 -5.821 1.00 50.00 H new ATOM 0 HB2 SER A 38 -2.490 15.210 -6.495 1.00 50.00 H new ATOM 0 HB3 SER A 38 -1.729 16.634 -7.177 1.00 50.00 H new ATOM 0 HG SER A 38 -1.487 14.767 -8.552 1.00 50.00 H new ATOM 568 N GLY A 39 -0.444 17.022 -3.510 1.00 99.99 N ATOM 569 CA GLY A 39 -0.948 17.965 -2.474 1.00 99.99 C ATOM 570 C GLY A 39 0.037 19.124 -2.315 1.00 99.99 C ATOM 571 O GLY A 39 1.208 18.925 -2.053 1.00 99.99 O ATOM 0 H GLY A 39 0.497 16.662 -3.348 1.00 99.99 H new ATOM 0 HA2 GLY A 39 -1.929 18.344 -2.759 1.00 99.99 H new ATOM 0 HA3 GLY A 39 -1.071 17.446 -1.524 1.00 99.99 H new ATOM 575 N SER A 40 -0.424 20.334 -2.474 1.00 99.99 N ATOM 576 CA SER A 40 0.487 21.506 -2.334 1.00 99.99 C ATOM 577 C SER A 40 0.401 22.078 -0.917 1.00 99.99 C ATOM 578 O SER A 40 0.596 23.257 -0.698 1.00 99.99 O ATOM 579 CB SER A 40 -0.019 22.525 -3.354 1.00 99.99 C ATOM 580 OG SER A 40 1.087 23.067 -4.065 1.00 99.99 O ATOM 0 H SER A 40 -1.393 20.562 -2.695 1.00 99.99 H new ATOM 0 HA SER A 40 1.530 21.240 -2.506 1.00 99.99 H new ATOM 0 HB2 SER A 40 -0.714 22.049 -4.047 1.00 99.99 H new ATOM 0 HB3 SER A 40 -0.567 23.321 -2.849 1.00 99.99 H new ATOM 0 HG SER A 40 0.766 23.720 -4.721 1.00 99.99 H new ATOM 586 N ASP A 41 0.110 21.249 0.047 1.00 99.99 N ATOM 587 CA ASP A 41 0.010 21.739 1.452 1.00 99.99 C ATOM 588 C ASP A 41 1.267 21.353 2.236 1.00 99.99 C ATOM 589 O ASP A 41 1.392 21.642 3.409 1.00 99.99 O ATOM 590 CB ASP A 41 -1.222 21.042 2.030 1.00 99.99 C ATOM 591 CG ASP A 41 -0.919 19.557 2.237 1.00 99.99 C ATOM 592 OD1 ASP A 41 -0.014 19.258 2.999 1.00 99.99 O ATOM 593 OD2 ASP A 41 -1.599 18.744 1.633 1.00 99.99 O ATOM 0 H ASP A 41 -0.063 20.252 -0.077 1.00 99.99 H new ATOM 0 HA ASP A 41 -0.076 22.824 1.506 1.00 99.99 H new ATOM 0 HB2 ASP A 41 -1.502 21.502 2.978 1.00 99.99 H new ATOM 0 HB3 ASP A 41 -2.070 21.160 1.355 1.00 99.99 H new ATOM 598 N GLY A 42 2.195 20.696 1.597 1.00 99.99 N ATOM 599 CA GLY A 42 3.440 20.286 2.306 1.00 99.99 C ATOM 600 C GLY A 42 3.371 18.792 2.624 1.00 99.99 C ATOM 601 O GLY A 42 2.363 18.154 2.389 1.00 99.99 O ATOM 0 H GLY A 42 2.145 20.425 0.615 1.00 99.99 H new ATOM 0 HA2 GLY A 42 4.312 20.498 1.687 1.00 99.99 H new ATOM 0 HA3 GLY A 42 3.555 20.860 3.225 1.00 99.99 H new ATOM 605 N PRO A 43 4.450 18.283 3.150 1.00 99.99 N ATOM 606 CA PRO A 43 4.516 16.845 3.506 1.00 99.99 C ATOM 607 C PRO A 43 3.668 16.558 4.750 1.00 99.99 C ATOM 608 O PRO A 43 3.502 17.400 5.610 1.00 99.99 O ATOM 609 CB PRO A 43 5.997 16.613 3.785 1.00 99.99 C ATOM 610 CG PRO A 43 6.536 17.954 4.167 1.00 99.99 C ATOM 611 CD PRO A 43 5.697 18.988 3.461 1.00 99.99 C ATOM 0 HA PRO A 43 4.129 16.192 2.724 1.00 99.99 H new ATOM 0 HB2 PRO A 43 6.138 15.888 4.587 1.00 99.99 H new ATOM 0 HB3 PRO A 43 6.507 16.219 2.906 1.00 99.99 H new ATOM 0 HG2 PRO A 43 6.491 18.094 5.247 1.00 99.99 H new ATOM 0 HG3 PRO A 43 7.583 18.045 3.878 1.00 99.99 H new ATOM 0 HD2 PRO A 43 5.517 19.856 4.095 1.00 99.99 H new ATOM 0 HD3 PRO A 43 6.187 19.350 2.557 1.00 99.99 H new ATOM 619 N CYS A 44 3.131 15.374 4.845 1.00 50.00 N ATOM 620 CA CYS A 44 2.289 15.019 6.023 1.00 50.00 C ATOM 621 C CYS A 44 2.048 13.506 6.044 1.00 50.00 C ATOM 622 O CYS A 44 2.240 12.829 5.054 1.00 50.00 O ATOM 623 CB CYS A 44 0.978 15.780 5.822 1.00 50.00 C ATOM 624 SG CYS A 44 0.743 16.957 7.178 1.00 50.00 S ATOM 0 H CYS A 44 3.239 14.632 4.154 1.00 50.00 H new ATOM 0 HA CYS A 44 2.759 15.282 6.971 1.00 50.00 H new ATOM 0 HB2 CYS A 44 0.995 16.308 4.868 1.00 50.00 H new ATOM 0 HB3 CYS A 44 0.142 15.081 5.785 1.00 50.00 H new ATOM 629 N LYS A 45 1.637 12.965 7.158 1.00 50.00 N ATOM 630 CA LYS A 45 1.399 11.494 7.219 1.00 50.00 C ATOM 631 C LYS A 45 0.204 11.127 6.338 1.00 50.00 C ATOM 632 O LYS A 45 -0.770 11.849 6.269 1.00 50.00 O ATOM 633 CB LYS A 45 1.112 11.182 8.689 1.00 50.00 C ATOM 634 CG LYS A 45 2.084 11.954 9.586 1.00 50.00 C ATOM 635 CD LYS A 45 3.501 11.867 9.012 1.00 50.00 C ATOM 636 CE LYS A 45 4.442 12.743 9.843 1.00 50.00 C ATOM 637 NZ LYS A 45 5.477 13.216 8.883 1.00 50.00 N ATOM 0 H LYS A 45 1.456 13.473 8.024 1.00 50.00 H new ATOM 0 HA LYS A 45 2.253 10.922 6.856 1.00 50.00 H new ATOM 0 HB2 LYS A 45 0.085 11.453 8.933 1.00 50.00 H new ATOM 0 HB3 LYS A 45 1.210 10.111 8.868 1.00 50.00 H new ATOM 0 HG2 LYS A 45 1.775 12.997 9.660 1.00 50.00 H new ATOM 0 HG3 LYS A 45 2.065 11.544 10.596 1.00 50.00 H new ATOM 0 HD2 LYS A 45 3.846 10.833 9.021 1.00 50.00 H new ATOM 0 HD3 LYS A 45 3.505 12.195 7.972 1.00 50.00 H new ATOM 0 HE2 LYS A 45 3.908 13.581 10.292 1.00 50.00 H new ATOM 0 HE3 LYS A 45 4.890 12.177 10.659 1.00 50.00 H new ATOM 0 HZ1 LYS A 45 6.159 13.824 9.380 1.00 50.00 H new ATOM 0 HZ2 LYS A 45 5.974 12.398 8.477 1.00 50.00 H new ATOM 0 HZ3 LYS A 45 5.022 13.758 8.121 1.00 50.00 H new ATOM 651 N ILE A 46 0.275 10.017 5.655 1.00 50.00 N ATOM 652 CA ILE A 46 -0.854 9.615 4.767 1.00 50.00 C ATOM 653 C ILE A 46 -1.858 8.744 5.530 1.00 50.00 C ATOM 654 O ILE A 46 -1.579 7.606 5.851 1.00 50.00 O ATOM 655 CB ILE A 46 -0.203 8.828 3.626 1.00 50.00 C ATOM 656 CG1 ILE A 46 1.119 9.494 3.223 1.00 50.00 C ATOM 657 CG2 ILE A 46 -1.141 8.814 2.418 1.00 50.00 C ATOM 658 CD1 ILE A 46 1.823 8.633 2.173 1.00 50.00 C ATOM 0 H ILE A 46 1.065 9.372 5.673 1.00 50.00 H new ATOM 0 HA ILE A 46 -1.412 10.476 4.398 1.00 50.00 H new ATOM 0 HB ILE A 46 -0.011 7.808 3.960 1.00 50.00 H new ATOM 0 HG12 ILE A 46 0.930 10.491 2.824 1.00 50.00 H new ATOM 0 HG13 ILE A 46 1.759 9.616 4.097 1.00 50.00 H new ATOM 0 HG21 ILE A 46 -0.679 8.254 1.605 1.00 50.00 H new ATOM 0 HG22 ILE A 46 -2.083 8.341 2.695 1.00 50.00 H new ATOM 0 HG23 ILE A 46 -1.330 9.837 2.092 1.00 50.00 H new ATOM 0 HD11 ILE A 46 2.763 9.105 1.886 1.00 50.00 H new ATOM 0 HD12 ILE A 46 2.025 7.646 2.588 1.00 50.00 H new ATOM 0 HD13 ILE A 46 1.184 8.534 1.296 1.00 50.00 H new ATOM 670 N PRO A 47 -3.001 9.322 5.794 1.00 50.00 N ATOM 671 CA PRO A 47 -4.075 8.608 6.530 1.00 50.00 C ATOM 672 C PRO A 47 -4.775 7.588 5.625 1.00 50.00 C ATOM 673 O PRO A 47 -5.681 7.921 4.881 1.00 50.00 O ATOM 674 CB PRO A 47 -5.039 9.722 6.923 1.00 50.00 C ATOM 675 CG PRO A 47 -4.816 10.805 5.914 1.00 50.00 C ATOM 676 CD PRO A 47 -3.392 10.690 5.437 1.00 50.00 C ATOM 0 HA PRO A 47 -3.698 8.045 7.384 1.00 50.00 H new ATOM 0 HB2 PRO A 47 -6.072 9.374 6.906 1.00 50.00 H new ATOM 0 HB3 PRO A 47 -4.839 10.078 7.934 1.00 50.00 H new ATOM 0 HG2 PRO A 47 -5.510 10.701 5.080 1.00 50.00 H new ATOM 0 HG3 PRO A 47 -4.994 11.785 6.357 1.00 50.00 H new ATOM 0 HD2 PRO A 47 -3.317 10.858 4.363 1.00 50.00 H new ATOM 0 HD3 PRO A 47 -2.750 11.426 5.920 1.00 50.00 H new ATOM 684 N ILE A 48 -4.373 6.348 5.690 1.00 50.00 N ATOM 685 CA ILE A 48 -5.022 5.307 4.844 1.00 50.00 C ATOM 686 C ILE A 48 -5.382 4.088 5.698 1.00 50.00 C ATOM 687 O ILE A 48 -4.523 3.416 6.232 1.00 50.00 O ATOM 688 CB ILE A 48 -3.975 4.940 3.787 1.00 50.00 C ATOM 689 CG1 ILE A 48 -4.194 5.800 2.542 1.00 50.00 C ATOM 690 CG2 ILE A 48 -4.110 3.463 3.409 1.00 50.00 C ATOM 691 CD1 ILE A 48 -3.115 6.879 2.474 1.00 50.00 C ATOM 0 H ILE A 48 -3.623 6.011 6.293 1.00 50.00 H new ATOM 0 HA ILE A 48 -5.947 5.660 4.388 1.00 50.00 H new ATOM 0 HB ILE A 48 -2.979 5.118 4.192 1.00 50.00 H new ATOM 0 HG12 ILE A 48 -4.160 5.179 1.647 1.00 50.00 H new ATOM 0 HG13 ILE A 48 -5.182 6.260 2.573 1.00 50.00 H new ATOM 0 HG21 ILE A 48 -3.362 3.210 2.657 1.00 50.00 H new ATOM 0 HG22 ILE A 48 -3.958 2.846 4.294 1.00 50.00 H new ATOM 0 HG23 ILE A 48 -5.106 3.280 3.006 1.00 50.00 H new ATOM 0 HD11 ILE A 48 -3.270 7.493 1.587 1.00 50.00 H new ATOM 0 HD12 ILE A 48 -3.171 7.506 3.364 1.00 50.00 H new ATOM 0 HD13 ILE A 48 -2.133 6.409 2.423 1.00 50.00 H new ATOM 703 N VAL A 49 -6.646 3.800 5.828 1.00 50.00 N ATOM 704 CA VAL A 49 -7.061 2.624 6.644 1.00 50.00 C ATOM 705 C VAL A 49 -7.210 1.393 5.747 1.00 50.00 C ATOM 706 O VAL A 49 -8.144 1.284 4.978 1.00 50.00 O ATOM 707 CB VAL A 49 -8.408 3.015 7.251 1.00 50.00 C ATOM 708 CG1 VAL A 49 -8.261 4.329 8.021 1.00 50.00 C ATOM 709 CG2 VAL A 49 -9.438 3.194 6.132 1.00 50.00 C ATOM 0 H VAL A 49 -7.410 4.327 5.405 1.00 50.00 H new ATOM 0 HA VAL A 49 -6.330 2.373 7.413 1.00 50.00 H new ATOM 0 HB VAL A 49 -8.740 2.231 7.931 1.00 50.00 H new ATOM 0 HG11 VAL A 49 -9.222 4.607 8.453 1.00 50.00 H new ATOM 0 HG12 VAL A 49 -7.527 4.204 8.817 1.00 50.00 H new ATOM 0 HG13 VAL A 49 -7.928 5.114 7.341 1.00 50.00 H new ATOM 0 HG21 VAL A 49 -10.399 3.473 6.564 1.00 50.00 H new ATOM 0 HG22 VAL A 49 -9.104 3.978 5.452 1.00 50.00 H new ATOM 0 HG23 VAL A 49 -9.545 2.259 5.583 1.00 50.00 H new ATOM 719 N SER A 50 -6.300 0.465 5.842 1.00 50.00 N ATOM 720 CA SER A 50 -6.395 -0.758 4.995 1.00 50.00 C ATOM 721 C SER A 50 -7.277 -1.797 5.685 1.00 50.00 C ATOM 722 O SER A 50 -6.851 -2.481 6.592 1.00 50.00 O ATOM 723 CB SER A 50 -4.960 -1.268 4.871 1.00 50.00 C ATOM 724 OG SER A 50 -4.057 -0.217 5.188 1.00 50.00 O ATOM 0 H SER A 50 -5.495 0.499 6.468 1.00 50.00 H new ATOM 0 HA SER A 50 -6.837 -0.557 4.019 1.00 50.00 H new ATOM 0 HB2 SER A 50 -4.803 -2.112 5.542 1.00 50.00 H new ATOM 0 HB3 SER A 50 -4.776 -1.627 3.859 1.00 50.00 H new ATOM 0 HG SER A 50 -3.136 -0.543 5.111 1.00 50.00 H new ATOM 730 N VAL A 51 -8.507 -1.912 5.270 1.00 50.00 N ATOM 731 CA VAL A 51 -9.414 -2.901 5.914 1.00 50.00 C ATOM 732 C VAL A 51 -9.887 -3.937 4.893 1.00 50.00 C ATOM 733 O VAL A 51 -10.007 -3.656 3.718 1.00 50.00 O ATOM 734 CB VAL A 51 -10.595 -2.075 6.424 1.00 50.00 C ATOM 735 CG1 VAL A 51 -11.619 -3.001 7.082 1.00 50.00 C ATOM 736 CG2 VAL A 51 -10.097 -1.055 7.450 1.00 50.00 C ATOM 0 H VAL A 51 -8.922 -1.366 4.515 1.00 50.00 H new ATOM 0 HA VAL A 51 -8.921 -3.452 6.715 1.00 50.00 H new ATOM 0 HB VAL A 51 -11.062 -1.553 5.588 1.00 50.00 H new ATOM 0 HG11 VAL A 51 -12.461 -2.412 7.446 1.00 50.00 H new ATOM 0 HG12 VAL A 51 -11.973 -3.729 6.352 1.00 50.00 H new ATOM 0 HG13 VAL A 51 -11.153 -3.523 7.918 1.00 50.00 H new ATOM 0 HG21 VAL A 51 -10.938 -0.465 7.815 1.00 50.00 H new ATOM 0 HG22 VAL A 51 -9.631 -1.577 8.285 1.00 50.00 H new ATOM 0 HG23 VAL A 51 -9.367 -0.395 6.982 1.00 50.00 H new ATOM 746 N ALA A 52 -10.164 -5.131 5.337 1.00 50.00 N ATOM 747 CA ALA A 52 -10.642 -6.188 4.401 1.00 50.00 C ATOM 748 C ALA A 52 -12.032 -5.822 3.880 1.00 50.00 C ATOM 749 O ALA A 52 -12.693 -4.957 4.420 1.00 50.00 O ATOM 750 CB ALA A 52 -10.702 -7.464 5.241 1.00 50.00 C ATOM 0 H ALA A 52 -10.080 -5.422 6.311 1.00 50.00 H new ATOM 0 HA ALA A 52 -9.992 -6.306 3.534 1.00 50.00 H new ATOM 0 HB1 ALA A 52 -11.047 -8.292 4.621 1.00 50.00 H new ATOM 0 HB2 ALA A 52 -9.709 -7.691 5.630 1.00 50.00 H new ATOM 0 HB3 ALA A 52 -11.393 -7.321 6.072 1.00 50.00 H new ATOM 756 N SER A 53 -12.486 -6.455 2.833 1.00 50.00 N ATOM 757 CA SER A 53 -13.837 -6.112 2.310 1.00 50.00 C ATOM 758 C SER A 53 -14.903 -6.599 3.295 1.00 50.00 C ATOM 759 O SER A 53 -15.229 -7.768 3.347 1.00 50.00 O ATOM 760 CB SER A 53 -13.952 -6.859 0.983 1.00 50.00 C ATOM 761 OG SER A 53 -15.322 -6.966 0.620 1.00 50.00 O ATOM 0 H SER A 53 -11.988 -7.185 2.324 1.00 50.00 H new ATOM 0 HA SER A 53 -13.977 -5.039 2.180 1.00 50.00 H new ATOM 0 HB2 SER A 53 -13.399 -6.331 0.206 1.00 50.00 H new ATOM 0 HB3 SER A 53 -13.509 -7.851 1.072 1.00 50.00 H new ATOM 0 HG SER A 53 -15.398 -7.444 -0.232 1.00 50.00 H new ATOM 767 N LEU A 54 -15.445 -5.706 4.077 1.00 50.00 N ATOM 768 CA LEU A 54 -16.489 -6.162 5.050 1.00 50.00 C ATOM 769 C LEU A 54 -16.864 -5.057 6.035 1.00 50.00 C ATOM 770 O LEU A 54 -17.988 -4.596 6.057 1.00 50.00 O ATOM 771 CB LEU A 54 -15.853 -7.338 5.794 1.00 50.00 C ATOM 772 CG LEU A 54 -16.570 -8.633 5.409 1.00 50.00 C ATOM 773 CD1 LEU A 54 -15.549 -9.765 5.291 1.00 50.00 C ATOM 774 CD2 LEU A 54 -17.598 -8.985 6.488 1.00 50.00 C ATOM 0 H LEU A 54 -15.223 -4.711 4.090 1.00 50.00 H new ATOM 0 HA LEU A 54 -17.411 -6.438 4.538 1.00 50.00 H new ATOM 0 HB2 LEU A 54 -14.794 -7.409 5.546 1.00 50.00 H new ATOM 0 HB3 LEU A 54 -15.919 -7.180 6.870 1.00 50.00 H new ATOM 0 HG LEU A 54 -17.076 -8.499 4.453 1.00 50.00 H new ATOM 0 HD11 LEU A 54 -16.059 -10.688 5.017 1.00 50.00 H new ATOM 0 HD12 LEU A 54 -14.815 -9.515 4.525 1.00 50.00 H new ATOM 0 HD13 LEU A 54 -15.044 -9.900 6.247 1.00 50.00 H new ATOM 0 HD21 LEU A 54 -18.110 -9.908 6.215 1.00 50.00 H new ATOM 0 HD22 LEU A 54 -17.091 -9.120 7.443 1.00 50.00 H new ATOM 0 HD23 LEU A 54 -18.326 -8.178 6.574 1.00 50.00 H new ATOM 786 N ASN A 55 -15.949 -4.627 6.852 1.00 50.00 N ATOM 787 CA ASN A 55 -16.283 -3.553 7.830 1.00 50.00 C ATOM 788 C ASN A 55 -16.059 -2.175 7.203 1.00 50.00 C ATOM 789 O ASN A 55 -15.418 -2.044 6.179 1.00 50.00 O ATOM 790 CB ASN A 55 -15.318 -3.771 8.996 1.00 50.00 C ATOM 791 CG ASN A 55 -15.852 -4.885 9.899 1.00 50.00 C ATOM 792 OD1 ASN A 55 -16.904 -4.748 10.494 1.00 50.00 O ATOM 793 ND2 ASN A 55 -15.169 -5.989 10.028 1.00 50.00 N ATOM 0 H ASN A 55 -14.988 -4.968 6.888 1.00 50.00 H new ATOM 0 HA ASN A 55 -17.326 -3.592 8.146 1.00 50.00 H new ATOM 0 HB2 ASN A 55 -14.330 -4.036 8.620 1.00 50.00 H new ATOM 0 HB3 ASN A 55 -15.205 -2.849 9.566 1.00 50.00 H new ATOM 0 HD21 ASN A 55 -15.517 -6.737 10.628 1.00 50.00 H new ATOM 0 HD22 ASN A 55 -14.287 -6.104 9.529 1.00 50.00 H new ATOM 800 N ASP A 56 -16.582 -1.145 7.810 1.00 50.00 N ATOM 801 CA ASP A 56 -16.397 0.225 7.253 1.00 50.00 C ATOM 802 C ASP A 56 -15.388 1.008 8.097 1.00 50.00 C ATOM 803 O ASP A 56 -14.589 1.766 7.585 1.00 50.00 O ATOM 804 CB ASP A 56 -17.779 0.874 7.331 1.00 50.00 C ATOM 805 CG ASP A 56 -17.696 2.314 6.825 1.00 50.00 C ATOM 806 OD1 ASP A 56 -16.590 2.817 6.706 1.00 50.00 O ATOM 807 OD2 ASP A 56 -18.739 2.892 6.563 1.00 50.00 O ATOM 0 H ASP A 56 -17.130 -1.193 8.669 1.00 50.00 H new ATOM 0 HA ASP A 56 -16.012 0.207 6.234 1.00 50.00 H new ATOM 0 HB2 ASP A 56 -18.493 0.308 6.733 1.00 50.00 H new ATOM 0 HB3 ASP A 56 -18.142 0.859 8.359 1.00 50.00 H new ATOM 812 N MET A 57 -15.420 0.830 9.390 1.00 50.00 N ATOM 813 CA MET A 57 -14.464 1.563 10.268 1.00 50.00 C ATOM 814 C MET A 57 -13.662 0.574 11.119 1.00 50.00 C ATOM 815 O MET A 57 -13.259 0.875 12.225 1.00 50.00 O ATOM 816 CB MET A 57 -15.339 2.448 11.157 1.00 50.00 C ATOM 817 CG MET A 57 -14.716 3.840 11.265 1.00 50.00 C ATOM 818 SD MET A 57 -15.226 4.613 12.821 1.00 50.00 S ATOM 819 CE MET A 57 -16.990 4.229 12.697 1.00 50.00 C ATOM 0 H MET A 57 -16.067 0.209 9.876 1.00 50.00 H new ATOM 0 HA MET A 57 -13.743 2.147 9.696 1.00 50.00 H new ATOM 0 HB2 MET A 57 -16.344 2.519 10.740 1.00 50.00 H new ATOM 0 HB3 MET A 57 -15.436 2.004 12.148 1.00 50.00 H new ATOM 0 HG2 MET A 57 -13.629 3.768 11.222 1.00 50.00 H new ATOM 0 HG3 MET A 57 -15.028 4.456 10.422 1.00 50.00 H new ATOM 0 HE1 MET A 57 -17.559 4.931 13.307 1.00 50.00 H new ATOM 0 HE2 MET A 57 -17.308 4.311 11.658 1.00 50.00 H new ATOM 0 HE3 MET A 57 -17.167 3.214 13.052 1.00 50.00 H new ATOM 829 N THR A 58 -13.429 -0.606 10.611 1.00 50.00 N ATOM 830 CA THR A 58 -12.653 -1.613 11.392 1.00 50.00 C ATOM 831 C THR A 58 -11.296 -1.862 10.726 1.00 50.00 C ATOM 832 O THR A 58 -11.231 -2.275 9.585 1.00 50.00 O ATOM 833 CB THR A 58 -13.508 -2.881 11.359 1.00 50.00 C ATOM 834 OG1 THR A 58 -14.846 -2.557 11.707 1.00 50.00 O ATOM 835 CG2 THR A 58 -12.952 -3.901 12.356 1.00 50.00 C ATOM 0 H THR A 58 -13.741 -0.916 9.691 1.00 50.00 H new ATOM 0 HA THR A 58 -12.452 -1.284 12.411 1.00 50.00 H new ATOM 0 HB THR A 58 -13.486 -3.308 10.356 1.00 50.00 H new ATOM 0 HG1 THR A 58 -15.266 -3.327 12.143 1.00 50.00 H new ATOM 0 HG21 THR A 58 -13.562 -4.804 12.331 1.00 50.00 H new ATOM 0 HG22 THR A 58 -11.925 -4.150 12.088 1.00 50.00 H new ATOM 0 HG23 THR A 58 -12.972 -3.477 13.360 1.00 50.00 H new ATOM 843 N PRO A 59 -10.254 -1.603 11.469 1.00 50.00 N ATOM 844 CA PRO A 59 -8.878 -1.802 10.947 1.00 50.00 C ATOM 845 C PRO A 59 -8.555 -3.296 10.848 1.00 50.00 C ATOM 846 O PRO A 59 -8.746 -4.045 11.784 1.00 50.00 O ATOM 847 CB PRO A 59 -7.997 -1.120 11.991 1.00 50.00 C ATOM 848 CG PRO A 59 -8.802 -1.139 13.251 1.00 50.00 C ATOM 849 CD PRO A 59 -10.255 -1.107 12.850 1.00 50.00 C ATOM 0 HA PRO A 59 -8.735 -1.395 9.946 1.00 50.00 H new ATOM 0 HB2 PRO A 59 -7.053 -1.650 12.118 1.00 50.00 H new ATOM 0 HB3 PRO A 59 -7.752 -0.100 11.695 1.00 50.00 H new ATOM 0 HG2 PRO A 59 -8.583 -2.033 13.834 1.00 50.00 H new ATOM 0 HG3 PRO A 59 -8.557 -0.282 13.878 1.00 50.00 H new ATOM 0 HD2 PRO A 59 -10.862 -1.737 13.500 1.00 50.00 H new ATOM 0 HD3 PRO A 59 -10.664 -0.098 12.911 1.00 50.00 H new ATOM 857 N VAL A 60 -8.066 -3.733 9.720 1.00 50.00 N ATOM 858 CA VAL A 60 -7.731 -5.179 9.563 1.00 50.00 C ATOM 859 C VAL A 60 -6.457 -5.340 8.736 1.00 50.00 C ATOM 860 O VAL A 60 -5.645 -6.210 8.983 1.00 50.00 O ATOM 861 CB VAL A 60 -8.929 -5.790 8.835 1.00 50.00 C ATOM 862 CG1 VAL A 60 -8.839 -7.316 8.893 1.00 50.00 C ATOM 863 CG2 VAL A 60 -10.224 -5.333 9.511 1.00 50.00 C ATOM 0 H VAL A 60 -7.884 -3.153 8.901 1.00 50.00 H new ATOM 0 HA VAL A 60 -7.549 -5.666 10.521 1.00 50.00 H new ATOM 0 HB VAL A 60 -8.925 -5.464 7.795 1.00 50.00 H new ATOM 0 HG11 VAL A 60 -9.693 -7.751 8.374 1.00 50.00 H new ATOM 0 HG12 VAL A 60 -7.917 -7.645 8.413 1.00 50.00 H new ATOM 0 HG13 VAL A 60 -8.843 -7.641 9.933 1.00 50.00 H new ATOM 0 HG21 VAL A 60 -11.078 -5.768 8.992 1.00 50.00 H new ATOM 0 HG22 VAL A 60 -10.226 -5.659 10.551 1.00 50.00 H new ATOM 0 HG23 VAL A 60 -10.291 -4.246 9.471 1.00 50.00 H new ATOM 873 N GLY A 61 -6.278 -4.500 7.762 1.00 50.00 N ATOM 874 CA GLY A 61 -5.055 -4.587 6.913 1.00 50.00 C ATOM 875 C GLY A 61 -3.872 -3.984 7.674 1.00 50.00 C ATOM 876 O GLY A 61 -4.047 -3.296 8.659 1.00 50.00 O ATOM 0 H GLY A 61 -6.926 -3.753 7.513 1.00 50.00 H new ATOM 0 HA2 GLY A 61 -4.848 -5.626 6.658 1.00 50.00 H new ATOM 0 HA3 GLY A 61 -5.210 -4.054 5.975 1.00 50.00 H new ATOM 880 N ARG A 62 -2.669 -4.237 7.233 1.00 50.00 N ATOM 881 CA ARG A 62 -1.488 -3.671 7.949 1.00 50.00 C ATOM 882 C ARG A 62 -0.449 -3.164 6.948 1.00 50.00 C ATOM 883 O ARG A 62 -0.399 -3.599 5.817 1.00 50.00 O ATOM 884 CB ARG A 62 -0.919 -4.835 8.763 1.00 50.00 C ATOM 885 CG ARG A 62 -2.054 -5.569 9.477 1.00 50.00 C ATOM 886 CD ARG A 62 -1.572 -6.033 10.855 1.00 50.00 C ATOM 887 NE ARG A 62 -2.746 -6.717 11.465 1.00 50.00 N ATOM 888 CZ ARG A 62 -3.133 -6.397 12.669 1.00 50.00 C ATOM 889 NH1 ARG A 62 -3.426 -5.157 12.953 1.00 50.00 N ATOM 890 NH2 ARG A 62 -3.226 -7.316 13.591 1.00 50.00 N ATOM 0 H ARG A 62 -2.453 -4.806 6.415 1.00 50.00 H new ATOM 0 HA ARG A 62 -1.760 -2.825 8.580 1.00 50.00 H new ATOM 0 HB2 ARG A 62 -0.384 -5.522 8.108 1.00 50.00 H new ATOM 0 HB3 ARG A 62 -0.198 -4.464 9.492 1.00 50.00 H new ATOM 0 HG2 ARG A 62 -2.917 -4.911 9.584 1.00 50.00 H new ATOM 0 HG3 ARG A 62 -2.377 -6.425 8.885 1.00 50.00 H new ATOM 0 HD2 ARG A 62 -0.722 -6.710 10.768 1.00 50.00 H new ATOM 0 HD3 ARG A 62 -1.247 -5.189 11.464 1.00 50.00 H new ATOM 0 HE ARG A 62 -3.247 -7.435 10.942 1.00 50.00 H new ATOM 0 HH11 ARG A 62 -3.352 -4.438 12.233 1.00 50.00 H new ATOM 0 HH12 ARG A 62 -3.729 -4.907 13.895 1.00 50.00 H new ATOM 0 HH21 ARG A 62 -2.996 -8.285 13.370 1.00 50.00 H new ATOM 0 HH22 ARG A 62 -3.529 -7.065 14.532 1.00 50.00 H new ATOM 904 N LEU A 63 0.386 -2.250 7.358 1.00 50.00 N ATOM 905 CA LEU A 63 1.427 -1.723 6.430 1.00 50.00 C ATOM 906 C LEU A 63 2.758 -2.437 6.685 1.00 50.00 C ATOM 907 O LEU A 63 3.280 -2.423 7.781 1.00 50.00 O ATOM 908 CB LEU A 63 1.538 -0.234 6.760 1.00 50.00 C ATOM 909 CG LEU A 63 0.343 0.509 6.162 1.00 50.00 C ATOM 910 CD1 LEU A 63 -0.163 1.551 7.161 1.00 50.00 C ATOM 911 CD2 LEU A 63 0.773 1.209 4.871 1.00 50.00 C ATOM 0 H LEU A 63 0.393 -1.845 8.294 1.00 50.00 H new ATOM 0 HA LEU A 63 1.173 -1.884 5.382 1.00 50.00 H new ATOM 0 HB2 LEU A 63 1.566 -0.091 7.840 1.00 50.00 H new ATOM 0 HB3 LEU A 63 2.468 0.170 6.361 1.00 50.00 H new ATOM 0 HG LEU A 63 -0.454 -0.202 5.944 1.00 50.00 H new ATOM 0 HD11 LEU A 63 -1.015 2.080 6.734 1.00 50.00 H new ATOM 0 HD12 LEU A 63 -0.469 1.054 8.082 1.00 50.00 H new ATOM 0 HD13 LEU A 63 0.634 2.262 7.380 1.00 50.00 H new ATOM 0 HD21 LEU A 63 -0.078 1.739 4.444 1.00 50.00 H new ATOM 0 HD22 LEU A 63 1.570 1.919 5.090 1.00 50.00 H new ATOM 0 HD23 LEU A 63 1.134 0.468 4.158 1.00 50.00 H new ATOM 923 N VAL A 64 3.309 -3.064 5.681 1.00 50.00 N ATOM 924 CA VAL A 64 4.602 -3.783 5.872 1.00 50.00 C ATOM 925 C VAL A 64 5.707 -2.790 6.244 1.00 50.00 C ATOM 926 O VAL A 64 6.775 -3.170 6.683 1.00 50.00 O ATOM 927 CB VAL A 64 4.898 -4.438 4.523 1.00 50.00 C ATOM 928 CG1 VAL A 64 6.133 -5.333 4.650 1.00 50.00 C ATOM 929 CG2 VAL A 64 3.698 -5.287 4.095 1.00 50.00 C ATOM 0 H VAL A 64 2.921 -3.110 4.739 1.00 50.00 H new ATOM 0 HA VAL A 64 4.551 -4.518 6.676 1.00 50.00 H new ATOM 0 HB VAL A 64 5.083 -3.665 3.777 1.00 50.00 H new ATOM 0 HG11 VAL A 64 6.344 -5.800 3.688 1.00 50.00 H new ATOM 0 HG12 VAL A 64 6.988 -4.731 4.957 1.00 50.00 H new ATOM 0 HG13 VAL A 64 5.947 -6.106 5.396 1.00 50.00 H new ATOM 0 HG21 VAL A 64 3.908 -5.755 3.133 1.00 50.00 H new ATOM 0 HG22 VAL A 64 3.514 -6.060 4.842 1.00 50.00 H new ATOM 0 HG23 VAL A 64 2.817 -4.652 4.005 1.00 50.00 H new ATOM 939 N THR A 65 5.457 -1.522 6.075 1.00 50.00 N ATOM 940 CA THR A 65 6.489 -0.505 6.421 1.00 50.00 C ATOM 941 C THR A 65 5.910 0.512 7.409 1.00 50.00 C ATOM 942 O THR A 65 4.711 0.616 7.571 1.00 50.00 O ATOM 943 CB THR A 65 6.836 0.174 5.095 1.00 50.00 C ATOM 944 OG1 THR A 65 7.494 -0.756 4.246 1.00 50.00 O ATOM 945 CG2 THR A 65 7.754 1.369 5.355 1.00 50.00 C ATOM 0 H THR A 65 4.582 -1.145 5.712 1.00 50.00 H new ATOM 0 HA THR A 65 7.366 -0.947 6.893 1.00 50.00 H new ATOM 0 HB THR A 65 5.921 0.521 4.615 1.00 50.00 H new ATOM 0 HG1 THR A 65 7.715 -0.323 3.395 1.00 50.00 H new ATOM 0 HG21 THR A 65 8.000 1.851 4.409 1.00 50.00 H new ATOM 0 HG22 THR A 65 7.247 2.082 6.005 1.00 50.00 H new ATOM 0 HG23 THR A 65 8.670 1.026 5.837 1.00 50.00 H new ATOM 953 N VAL A 66 6.750 1.261 8.069 1.00 50.00 N ATOM 954 CA VAL A 66 6.239 2.267 9.042 1.00 50.00 C ATOM 955 C VAL A 66 5.050 3.022 8.438 1.00 50.00 C ATOM 956 O VAL A 66 4.772 2.919 7.260 1.00 50.00 O ATOM 957 CB VAL A 66 7.410 3.218 9.285 1.00 50.00 C ATOM 958 CG1 VAL A 66 6.985 4.311 10.266 1.00 50.00 C ATOM 959 CG2 VAL A 66 8.588 2.436 9.874 1.00 50.00 C ATOM 0 H VAL A 66 7.765 1.220 7.977 1.00 50.00 H new ATOM 0 HA VAL A 66 5.891 1.809 9.968 1.00 50.00 H new ATOM 0 HB VAL A 66 7.710 3.673 8.341 1.00 50.00 H new ATOM 0 HG11 VAL A 66 7.820 4.989 10.439 1.00 50.00 H new ATOM 0 HG12 VAL A 66 6.146 4.868 9.849 1.00 50.00 H new ATOM 0 HG13 VAL A 66 6.685 3.856 11.210 1.00 50.00 H new ATOM 0 HG21 VAL A 66 9.424 3.114 10.048 1.00 50.00 H new ATOM 0 HG22 VAL A 66 8.287 1.981 10.818 1.00 50.00 H new ATOM 0 HG23 VAL A 66 8.892 1.656 9.176 1.00 50.00 H new ATOM 969 N ASN A 67 4.348 3.780 9.234 1.00 50.00 N ATOM 970 CA ASN A 67 3.182 4.537 8.697 1.00 50.00 C ATOM 971 C ASN A 67 3.566 5.239 7.393 1.00 50.00 C ATOM 972 O ASN A 67 4.670 5.722 7.250 1.00 50.00 O ATOM 973 CB ASN A 67 2.841 5.564 9.776 1.00 50.00 C ATOM 974 CG ASN A 67 1.490 6.205 9.460 1.00 50.00 C ATOM 975 OD1 ASN A 67 1.414 7.139 8.686 1.00 50.00 O ATOM 976 ND2 ASN A 67 0.412 5.741 10.029 1.00 50.00 N ATOM 0 H ASN A 67 4.530 3.908 10.229 1.00 50.00 H new ATOM 0 HA ASN A 67 2.336 3.887 8.474 1.00 50.00 H new ATOM 0 HB2 ASN A 67 2.808 5.083 10.754 1.00 50.00 H new ATOM 0 HB3 ASN A 67 3.616 6.329 9.823 1.00 50.00 H new ATOM 0 HD21 ASN A 67 -0.494 6.162 9.824 1.00 50.00 H new ATOM 0 HD22 ASN A 67 0.475 4.957 10.679 1.00 50.00 H new ATOM 983 N PRO A 68 2.634 5.269 6.480 1.00 50.00 N ATOM 984 CA PRO A 68 2.872 5.917 5.170 1.00 50.00 C ATOM 985 C PRO A 68 2.811 7.442 5.308 1.00 50.00 C ATOM 986 O PRO A 68 1.747 8.027 5.328 1.00 50.00 O ATOM 987 CB PRO A 68 1.722 5.408 4.308 1.00 50.00 C ATOM 988 CG PRO A 68 0.632 5.059 5.272 1.00 50.00 C ATOM 989 CD PRO A 68 1.286 4.701 6.583 1.00 50.00 C ATOM 0 HA PRO A 68 3.851 5.688 4.750 1.00 50.00 H new ATOM 0 HB2 PRO A 68 1.393 6.170 3.601 1.00 50.00 H new ATOM 0 HB3 PRO A 68 2.023 4.539 3.723 1.00 50.00 H new ATOM 0 HG2 PRO A 68 -0.050 5.899 5.400 1.00 50.00 H new ATOM 0 HG3 PRO A 68 0.041 4.223 4.897 1.00 50.00 H new ATOM 0 HD2 PRO A 68 0.740 5.121 7.428 1.00 50.00 H new ATOM 0 HD3 PRO A 68 1.319 3.621 6.730 1.00 50.00 H new ATOM 997 N PHE A 69 3.942 8.089 5.411 1.00 50.00 N ATOM 998 CA PHE A 69 3.944 9.566 5.553 1.00 50.00 C ATOM 999 C PHE A 69 4.718 10.211 4.399 1.00 50.00 C ATOM 1000 O PHE A 69 5.763 9.737 3.999 1.00 50.00 O ATOM 1001 CB PHE A 69 4.657 9.823 6.876 1.00 50.00 C ATOM 1002 CG PHE A 69 5.900 8.971 6.964 1.00 50.00 C ATOM 1003 CD1 PHE A 69 7.040 9.319 6.227 1.00 50.00 C ATOM 1004 CD2 PHE A 69 5.916 7.836 7.781 1.00 50.00 C ATOM 1005 CE1 PHE A 69 8.195 8.531 6.310 1.00 50.00 C ATOM 1006 CE2 PHE A 69 7.070 7.047 7.864 1.00 50.00 C ATOM 1007 CZ PHE A 69 8.209 7.395 7.128 1.00 50.00 C ATOM 0 H PHE A 69 4.864 7.653 5.402 1.00 50.00 H new ATOM 0 HA PHE A 69 2.938 9.986 5.534 1.00 50.00 H new ATOM 0 HB2 PHE A 69 4.922 10.877 6.958 1.00 50.00 H new ATOM 0 HB3 PHE A 69 3.991 9.596 7.708 1.00 50.00 H new ATOM 0 HD1 PHE A 69 7.028 10.195 5.595 1.00 50.00 H new ATOM 0 HD2 PHE A 69 5.037 7.568 8.349 1.00 50.00 H new ATOM 0 HE1 PHE A 69 9.074 8.800 5.743 1.00 50.00 H new ATOM 0 HE2 PHE A 69 7.081 6.171 8.495 1.00 50.00 H new ATOM 0 HZ PHE A 69 9.099 6.787 7.191 1.00 50.00 H new ATOM 1017 N VAL A 70 4.216 11.291 3.863 1.00 50.00 N ATOM 1018 CA VAL A 70 4.925 11.966 2.742 1.00 50.00 C ATOM 1019 C VAL A 70 5.884 13.029 3.287 1.00 50.00 C ATOM 1020 O VAL A 70 5.755 14.201 2.999 1.00 50.00 O ATOM 1021 CB VAL A 70 3.818 12.616 1.915 1.00 50.00 C ATOM 1022 CG1 VAL A 70 4.437 13.471 0.811 1.00 50.00 C ATOM 1023 CG2 VAL A 70 2.947 11.525 1.287 1.00 50.00 C ATOM 0 H VAL A 70 3.345 11.734 4.154 1.00 50.00 H new ATOM 0 HA VAL A 70 5.524 11.273 2.151 1.00 50.00 H new ATOM 0 HB VAL A 70 3.206 13.247 2.560 1.00 50.00 H new ATOM 0 HG11 VAL A 70 3.645 13.934 0.222 1.00 50.00 H new ATOM 0 HG12 VAL A 70 5.058 14.247 1.257 1.00 50.00 H new ATOM 0 HG13 VAL A 70 5.050 12.843 0.165 1.00 50.00 H new ATOM 0 HG21 VAL A 70 2.156 11.986 0.696 1.00 50.00 H new ATOM 0 HG22 VAL A 70 3.561 10.895 0.643 1.00 50.00 H new ATOM 0 HG23 VAL A 70 2.503 10.916 2.074 1.00 50.00 H new ATOM 1033 N ALA A 71 6.845 12.629 4.078 1.00 50.00 N ATOM 1034 CA ALA A 71 7.809 13.619 4.642 1.00 50.00 C ATOM 1035 C ALA A 71 9.006 13.789 3.705 1.00 50.00 C ATOM 1036 O ALA A 71 10.141 13.589 4.089 1.00 50.00 O ATOM 1037 CB ALA A 71 8.255 13.019 5.976 1.00 50.00 C ATOM 0 H ALA A 71 7.004 11.661 4.357 1.00 50.00 H new ATOM 0 HA ALA A 71 7.362 14.605 4.765 1.00 50.00 H new ATOM 0 HB1 ALA A 71 8.968 13.689 6.456 1.00 50.00 H new ATOM 0 HB2 ALA A 71 7.388 12.887 6.624 1.00 50.00 H new ATOM 0 HB3 ALA A 71 8.727 12.052 5.800 1.00 50.00 H new ATOM 1043 N THR A 72 8.763 14.160 2.479 1.00 50.00 N ATOM 1044 CA THR A 72 9.888 14.347 1.518 1.00 50.00 C ATOM 1045 C THR A 72 9.599 15.529 0.590 1.00 50.00 C ATOM 1046 O THR A 72 8.500 16.043 0.548 1.00 50.00 O ATOM 1047 CB THR A 72 9.956 13.042 0.722 1.00 50.00 C ATOM 1048 OG1 THR A 72 9.765 11.943 1.601 1.00 50.00 O ATOM 1049 CG2 THR A 72 11.322 12.927 0.045 1.00 50.00 C ATOM 0 H THR A 72 7.834 14.342 2.100 1.00 50.00 H new ATOM 0 HA THR A 72 10.829 14.563 2.023 1.00 50.00 H new ATOM 0 HB THR A 72 9.175 13.038 -0.039 1.00 50.00 H new ATOM 0 HG1 THR A 72 9.807 11.106 1.092 1.00 50.00 H new ATOM 0 HG21 THR A 72 11.370 11.997 -0.522 1.00 50.00 H new ATOM 0 HG22 THR A 72 11.466 13.771 -0.629 1.00 50.00 H new ATOM 0 HG23 THR A 72 12.105 12.931 0.803 1.00 50.00 H new ATOM 1057 N SER A 73 10.576 15.958 -0.161 1.00 50.00 N ATOM 1058 CA SER A 73 10.351 17.100 -1.092 1.00 50.00 C ATOM 1059 C SER A 73 9.983 16.575 -2.482 1.00 50.00 C ATOM 1060 O SER A 73 9.636 17.329 -3.369 1.00 50.00 O ATOM 1061 CB SER A 73 11.684 17.847 -1.135 1.00 50.00 C ATOM 1062 OG SER A 73 12.658 17.034 -1.778 1.00 50.00 O ATOM 0 H SER A 73 11.519 15.568 -0.170 1.00 50.00 H new ATOM 0 HA SER A 73 9.536 17.746 -0.767 1.00 50.00 H new ATOM 0 HB2 SER A 73 11.569 18.789 -1.671 1.00 50.00 H new ATOM 0 HB3 SER A 73 12.009 18.093 -0.124 1.00 50.00 H new ATOM 0 HG SER A 73 13.514 17.511 -1.809 1.00 50.00 H new ATOM 1068 N SER A 74 10.056 15.286 -2.678 1.00 99.99 N ATOM 1069 CA SER A 74 9.710 14.715 -4.010 1.00 99.99 C ATOM 1070 C SER A 74 8.563 13.708 -3.878 1.00 99.99 C ATOM 1071 O SER A 74 8.330 12.902 -4.757 1.00 99.99 O ATOM 1072 CB SER A 74 10.985 14.021 -4.487 1.00 99.99 C ATOM 1073 OG SER A 74 10.708 12.650 -4.746 1.00 99.99 O ATOM 0 H SER A 74 10.340 14.605 -1.974 1.00 99.99 H new ATOM 0 HA SER A 74 9.376 15.480 -4.711 1.00 99.99 H new ATOM 0 HB2 SER A 74 11.360 14.504 -5.389 1.00 99.99 H new ATOM 0 HB3 SER A 74 11.765 14.109 -3.731 1.00 99.99 H new ATOM 0 HG SER A 74 9.914 12.579 -5.316 1.00 99.99 H new ATOM 1079 N ALA A 75 7.841 13.749 -2.790 1.00 99.99 N ATOM 1080 CA ALA A 75 6.708 12.793 -2.615 1.00 99.99 C ATOM 1081 C ALA A 75 5.488 13.278 -3.395 1.00 99.99 C ATOM 1082 O ALA A 75 4.413 12.723 -3.296 1.00 99.99 O ATOM 1083 CB ALA A 75 6.411 12.785 -1.117 1.00 99.99 C ATOM 0 H ALA A 75 7.985 14.400 -2.018 1.00 99.99 H new ATOM 0 HA ALA A 75 6.953 11.797 -2.984 1.00 99.99 H new ATOM 0 HB1 ALA A 75 5.586 12.102 -0.913 1.00 99.99 H new ATOM 0 HB2 ALA A 75 7.296 12.458 -0.572 1.00 99.99 H new ATOM 0 HB3 ALA A 75 6.138 13.790 -0.795 1.00 99.99 H new ATOM 1089 N ASN A 76 5.647 14.310 -4.177 1.00 99.99 N ATOM 1090 CA ASN A 76 4.505 14.827 -4.967 1.00 99.99 C ATOM 1091 C ASN A 76 4.397 14.044 -6.270 1.00 99.99 C ATOM 1092 O ASN A 76 3.775 14.479 -7.220 1.00 99.99 O ATOM 1093 CB ASN A 76 4.839 16.293 -5.244 1.00 99.99 C ATOM 1094 CG ASN A 76 5.225 16.984 -3.936 1.00 99.99 C ATOM 1095 OD1 ASN A 76 4.549 16.842 -2.936 1.00 99.99 O ATOM 1096 ND2 ASN A 76 6.293 17.734 -3.900 1.00 99.99 N ATOM 0 H ASN A 76 6.524 14.816 -4.300 1.00 99.99 H new ATOM 0 HA ASN A 76 3.553 14.727 -4.446 1.00 99.99 H new ATOM 0 HB2 ASN A 76 5.659 16.361 -5.959 1.00 99.99 H new ATOM 0 HB3 ASN A 76 3.981 16.794 -5.693 1.00 99.99 H new ATOM 0 HD21 ASN A 76 6.560 18.200 -3.033 1.00 99.99 H new ATOM 0 HD22 ASN A 76 6.861 17.854 -4.739 1.00 99.99 H new ATOM 1103 N SER A 77 4.998 12.887 -6.323 1.00 99.99 N ATOM 1104 CA SER A 77 4.932 12.075 -7.559 1.00 99.99 C ATOM 1105 C SER A 77 4.339 10.710 -7.233 1.00 99.99 C ATOM 1106 O SER A 77 3.888 10.470 -6.127 1.00 99.99 O ATOM 1107 CB SER A 77 6.380 11.938 -8.027 1.00 99.99 C ATOM 1108 OG SER A 77 6.452 12.214 -9.419 1.00 99.99 O ATOM 0 H SER A 77 5.532 12.473 -5.559 1.00 99.99 H new ATOM 0 HA SER A 77 4.307 12.528 -8.329 1.00 99.99 H new ATOM 0 HB2 SER A 77 7.019 12.627 -7.475 1.00 99.99 H new ATOM 0 HB3 SER A 77 6.746 10.931 -7.825 1.00 99.99 H new ATOM 0 HG SER A 77 7.380 12.129 -9.722 1.00 99.99 H new ATOM 1114 N LYS A 78 4.339 9.811 -8.173 1.00 99.99 N ATOM 1115 CA LYS A 78 3.781 8.463 -7.898 1.00 99.99 C ATOM 1116 C LYS A 78 4.612 7.789 -6.807 1.00 99.99 C ATOM 1117 O LYS A 78 5.564 7.085 -7.080 1.00 99.99 O ATOM 1118 CB LYS A 78 3.901 7.704 -9.220 1.00 99.99 C ATOM 1119 CG LYS A 78 2.928 8.300 -10.240 1.00 99.99 C ATOM 1120 CD LYS A 78 3.360 7.905 -11.654 1.00 99.99 C ATOM 1121 CE LYS A 78 2.124 7.797 -12.552 1.00 99.99 C ATOM 1122 NZ LYS A 78 2.658 7.788 -13.944 1.00 99.99 N ATOM 0 H LYS A 78 4.700 9.951 -9.117 1.00 99.99 H new ATOM 0 HA LYS A 78 2.748 8.493 -7.551 1.00 99.99 H new ATOM 0 HB2 LYS A 78 4.922 7.766 -9.596 1.00 99.99 H new ATOM 0 HB3 LYS A 78 3.682 6.647 -9.066 1.00 99.99 H new ATOM 0 HG2 LYS A 78 1.917 7.943 -10.045 1.00 99.99 H new ATOM 0 HG3 LYS A 78 2.906 9.386 -10.146 1.00 99.99 H new ATOM 0 HD2 LYS A 78 4.051 8.646 -12.055 1.00 99.99 H new ATOM 0 HD3 LYS A 78 3.891 6.953 -11.631 1.00 99.99 H new ATOM 0 HE2 LYS A 78 1.560 6.889 -12.340 1.00 99.99 H new ATOM 0 HE3 LYS A 78 1.447 8.637 -12.394 1.00 99.99 H new ATOM 0 HZ1 LYS A 78 1.869 7.716 -14.618 1.00 99.99 H new ATOM 0 HZ2 LYS A 78 3.184 8.668 -14.120 1.00 99.99 H new ATOM 0 HZ3 LYS A 78 3.294 6.974 -14.067 1.00 99.99 H new ATOM 1136 N VAL A 79 4.259 8.004 -5.570 1.00 99.99 N ATOM 1137 CA VAL A 79 5.019 7.388 -4.457 1.00 99.99 C ATOM 1138 C VAL A 79 4.640 5.908 -4.340 1.00 99.99 C ATOM 1139 O VAL A 79 3.785 5.428 -5.057 1.00 99.99 O ATOM 1140 CB VAL A 79 4.576 8.166 -3.222 1.00 99.99 C ATOM 1141 CG1 VAL A 79 4.746 9.664 -3.478 1.00 99.99 C ATOM 1142 CG2 VAL A 79 3.105 7.863 -2.926 1.00 99.99 C ATOM 0 H VAL A 79 3.470 8.585 -5.285 1.00 99.99 H new ATOM 0 HA VAL A 79 6.099 7.429 -4.596 1.00 99.99 H new ATOM 0 HB VAL A 79 5.185 7.870 -2.368 1.00 99.99 H new ATOM 0 HG11 VAL A 79 4.430 10.222 -2.597 1.00 99.99 H new ATOM 0 HG12 VAL A 79 5.793 9.881 -3.688 1.00 99.99 H new ATOM 0 HG13 VAL A 79 4.136 9.959 -4.332 1.00 99.99 H new ATOM 0 HG21 VAL A 79 2.789 8.419 -2.043 1.00 99.99 H new ATOM 0 HG22 VAL A 79 2.494 8.158 -3.779 1.00 99.99 H new ATOM 0 HG23 VAL A 79 2.983 6.795 -2.745 1.00 99.99 H new ATOM 1152 N LEU A 80 5.260 5.174 -3.456 1.00 50.00 N ATOM 1153 CA LEU A 80 4.909 3.727 -3.332 1.00 50.00 C ATOM 1154 C LEU A 80 4.762 3.316 -1.863 1.00 50.00 C ATOM 1155 O LEU A 80 5.583 3.637 -1.029 1.00 50.00 O ATOM 1156 CB LEU A 80 6.076 2.980 -3.977 1.00 50.00 C ATOM 1157 CG LEU A 80 5.680 1.522 -4.212 1.00 50.00 C ATOM 1158 CD1 LEU A 80 6.460 0.967 -5.405 1.00 50.00 C ATOM 1159 CD2 LEU A 80 6.007 0.701 -2.963 1.00 50.00 C ATOM 0 H LEU A 80 5.986 5.507 -2.821 1.00 50.00 H new ATOM 0 HA LEU A 80 3.956 3.504 -3.811 1.00 50.00 H new ATOM 0 HB2 LEU A 80 6.346 3.452 -4.922 1.00 50.00 H new ATOM 0 HB3 LEU A 80 6.954 3.030 -3.333 1.00 50.00 H new ATOM 0 HG LEU A 80 4.611 1.463 -4.419 1.00 50.00 H new ATOM 0 HD11 LEU A 80 6.178 -0.072 -5.573 1.00 50.00 H new ATOM 0 HD12 LEU A 80 6.230 1.553 -6.295 1.00 50.00 H new ATOM 0 HD13 LEU A 80 7.529 1.024 -5.199 1.00 50.00 H new ATOM 0 HD21 LEU A 80 5.726 -0.339 -3.127 1.00 50.00 H new ATOM 0 HD22 LEU A 80 7.076 0.760 -2.758 1.00 50.00 H new ATOM 0 HD23 LEU A 80 5.452 1.097 -2.112 1.00 50.00 H new ATOM 1171 N VAL A 81 3.716 2.597 -1.550 1.00 50.00 N ATOM 1172 CA VAL A 81 3.500 2.146 -0.147 1.00 50.00 C ATOM 1173 C VAL A 81 3.463 0.615 -0.093 1.00 50.00 C ATOM 1174 O VAL A 81 3.567 -0.051 -1.104 1.00 50.00 O ATOM 1175 CB VAL A 81 2.143 2.728 0.249 1.00 50.00 C ATOM 1176 CG1 VAL A 81 2.082 2.884 1.768 1.00 50.00 C ATOM 1177 CG2 VAL A 81 1.960 4.097 -0.413 1.00 50.00 C ATOM 0 H VAL A 81 2.998 2.302 -2.212 1.00 50.00 H new ATOM 0 HA VAL A 81 4.294 2.473 0.524 1.00 50.00 H new ATOM 0 HB VAL A 81 1.349 2.058 -0.081 1.00 50.00 H new ATOM 0 HG11 VAL A 81 1.115 3.299 2.053 1.00 50.00 H new ATOM 0 HG12 VAL A 81 2.212 1.910 2.239 1.00 50.00 H new ATOM 0 HG13 VAL A 81 2.876 3.555 2.097 1.00 50.00 H new ATOM 0 HG21 VAL A 81 0.992 4.511 -0.130 1.00 50.00 H new ATOM 0 HG22 VAL A 81 2.753 4.769 -0.084 1.00 50.00 H new ATOM 0 HG23 VAL A 81 2.005 3.986 -1.496 1.00 50.00 H new ATOM 1187 N GLU A 82 3.314 0.047 1.075 1.00 50.00 N ATOM 1188 CA GLU A 82 3.272 -1.442 1.176 1.00 50.00 C ATOM 1189 C GLU A 82 2.372 -1.877 2.337 1.00 50.00 C ATOM 1190 O GLU A 82 2.389 -1.291 3.402 1.00 50.00 O ATOM 1191 CB GLU A 82 4.718 -1.863 1.432 1.00 50.00 C ATOM 1192 CG GLU A 82 5.489 -1.872 0.110 1.00 50.00 C ATOM 1193 CD GLU A 82 6.848 -2.543 0.315 1.00 50.00 C ATOM 1194 OE1 GLU A 82 7.063 -3.087 1.385 1.00 50.00 O ATOM 1195 OE2 GLU A 82 7.652 -2.501 -0.604 1.00 50.00 O ATOM 0 H GLU A 82 3.220 0.547 1.959 1.00 50.00 H new ATOM 0 HA GLU A 82 2.865 -1.902 0.275 1.00 50.00 H new ATOM 0 HB2 GLU A 82 5.189 -1.176 2.135 1.00 50.00 H new ATOM 0 HB3 GLU A 82 4.744 -2.853 1.887 1.00 50.00 H new ATOM 0 HG2 GLU A 82 4.920 -2.405 -0.651 1.00 50.00 H new ATOM 0 HG3 GLU A 82 5.626 -0.852 -0.250 1.00 50.00 H new ATOM 1202 N MET A 83 1.590 -2.904 2.141 1.00 50.00 N ATOM 1203 CA MET A 83 0.692 -3.381 3.234 1.00 50.00 C ATOM 1204 C MET A 83 0.348 -4.858 3.030 1.00 50.00 C ATOM 1205 O MET A 83 0.103 -5.303 1.927 1.00 50.00 O ATOM 1206 CB MET A 83 -0.564 -2.516 3.122 1.00 50.00 C ATOM 1207 CG MET A 83 -1.093 -2.562 1.687 1.00 50.00 C ATOM 1208 SD MET A 83 -2.519 -1.456 1.536 1.00 50.00 S ATOM 1209 CE MET A 83 -3.173 -2.136 -0.008 1.00 50.00 C ATOM 0 H MET A 83 1.534 -3.434 1.271 1.00 50.00 H new ATOM 0 HA MET A 83 1.157 -3.297 4.216 1.00 50.00 H new ATOM 0 HB2 MET A 83 -1.327 -2.874 3.813 1.00 50.00 H new ATOM 0 HB3 MET A 83 -0.336 -1.488 3.403 1.00 50.00 H new ATOM 0 HG2 MET A 83 -0.311 -2.262 0.990 1.00 50.00 H new ATOM 0 HG3 MET A 83 -1.380 -3.581 1.426 1.00 50.00 H new ATOM 0 HE1 MET A 83 -4.073 -1.591 -0.293 1.00 50.00 H new ATOM 0 HE2 MET A 83 -2.425 -2.038 -0.795 1.00 50.00 H new ATOM 0 HE3 MET A 83 -3.416 -3.189 0.132 1.00 50.00 H new ATOM 1219 N GLU A 84 0.331 -5.624 4.087 1.00 50.00 N ATOM 1220 CA GLU A 84 0.008 -7.063 3.959 1.00 50.00 C ATOM 1221 C GLU A 84 -1.368 -7.362 4.559 1.00 50.00 C ATOM 1222 O GLU A 84 -1.471 -7.899 5.644 1.00 50.00 O ATOM 1223 CB GLU A 84 1.106 -7.793 4.737 1.00 50.00 C ATOM 1224 CG GLU A 84 1.497 -6.987 5.978 1.00 50.00 C ATOM 1225 CD GLU A 84 2.186 -7.907 6.988 1.00 50.00 C ATOM 1226 OE1 GLU A 84 3.323 -8.275 6.744 1.00 50.00 O ATOM 1227 OE2 GLU A 84 1.565 -8.227 7.987 1.00 50.00 O ATOM 0 H GLU A 84 0.529 -5.308 5.036 1.00 50.00 H new ATOM 0 HA GLU A 84 -0.030 -7.380 2.917 1.00 50.00 H new ATOM 0 HB2 GLU A 84 0.757 -8.783 5.032 1.00 50.00 H new ATOM 0 HB3 GLU A 84 1.978 -7.940 4.100 1.00 50.00 H new ATOM 0 HG2 GLU A 84 2.164 -6.171 5.699 1.00 50.00 H new ATOM 0 HG3 GLU A 84 0.611 -6.536 6.426 1.00 50.00 H new ATOM 1234 N PRO A 85 -2.384 -7.006 3.821 1.00 50.00 N ATOM 1235 CA PRO A 85 -3.777 -7.242 4.273 1.00 50.00 C ATOM 1236 C PRO A 85 -4.129 -8.729 4.160 1.00 50.00 C ATOM 1237 O PRO A 85 -3.384 -9.500 3.589 1.00 50.00 O ATOM 1238 CB PRO A 85 -4.613 -6.411 3.303 1.00 50.00 C ATOM 1239 CG PRO A 85 -3.773 -6.289 2.073 1.00 50.00 C ATOM 1240 CD PRO A 85 -2.330 -6.355 2.508 1.00 50.00 C ATOM 0 HA PRO A 85 -3.943 -6.968 5.315 1.00 50.00 H new ATOM 0 HB2 PRO A 85 -5.564 -6.898 3.085 1.00 50.00 H new ATOM 0 HB3 PRO A 85 -4.845 -5.431 3.721 1.00 50.00 H new ATOM 0 HG2 PRO A 85 -4.000 -7.092 1.371 1.00 50.00 H new ATOM 0 HG3 PRO A 85 -3.977 -5.349 1.560 1.00 50.00 H new ATOM 0 HD2 PRO A 85 -1.727 -6.927 1.803 1.00 50.00 H new ATOM 0 HD3 PRO A 85 -1.887 -5.361 2.573 1.00 50.00 H new ATOM 1248 N PRO A 86 -5.257 -9.078 4.713 1.00 50.00 N ATOM 1249 CA PRO A 86 -5.720 -10.488 4.677 1.00 50.00 C ATOM 1250 C PRO A 86 -6.181 -10.863 3.266 1.00 50.00 C ATOM 1251 O PRO A 86 -6.451 -10.010 2.443 1.00 50.00 O ATOM 1252 CB PRO A 86 -6.892 -10.503 5.656 1.00 50.00 C ATOM 1253 CG PRO A 86 -7.387 -9.092 5.687 1.00 50.00 C ATOM 1254 CD PRO A 86 -6.201 -8.203 5.417 1.00 50.00 C ATOM 0 HA PRO A 86 -4.941 -11.203 4.941 1.00 50.00 H new ATOM 0 HB2 PRO A 86 -7.673 -11.188 5.327 1.00 50.00 H new ATOM 0 HB3 PRO A 86 -6.576 -10.832 6.646 1.00 50.00 H new ATOM 0 HG2 PRO A 86 -8.163 -8.939 4.937 1.00 50.00 H new ATOM 0 HG3 PRO A 86 -7.830 -8.860 6.655 1.00 50.00 H new ATOM 0 HD2 PRO A 86 -6.477 -7.342 4.809 1.00 50.00 H new ATOM 0 HD3 PRO A 86 -5.773 -7.816 6.342 1.00 50.00 H new ATOM 1262 N PHE A 87 -6.273 -12.133 2.978 1.00 50.00 N ATOM 1263 CA PHE A 87 -6.719 -12.559 1.615 1.00 50.00 C ATOM 1264 C PHE A 87 -8.186 -12.176 1.396 1.00 50.00 C ATOM 1265 O PHE A 87 -8.986 -12.202 2.309 1.00 50.00 O ATOM 1266 CB PHE A 87 -6.551 -14.083 1.579 1.00 50.00 C ATOM 1267 CG PHE A 87 -6.738 -14.651 2.964 1.00 50.00 C ATOM 1268 CD1 PHE A 87 -7.995 -14.604 3.577 1.00 50.00 C ATOM 1269 CD2 PHE A 87 -5.649 -15.213 3.640 1.00 50.00 C ATOM 1270 CE1 PHE A 87 -8.164 -15.120 4.866 1.00 50.00 C ATOM 1271 CE2 PHE A 87 -5.818 -15.731 4.928 1.00 50.00 C ATOM 1272 CZ PHE A 87 -7.075 -15.684 5.543 1.00 50.00 C ATOM 0 H PHE A 87 -6.060 -12.894 3.623 1.00 50.00 H new ATOM 0 HA PHE A 87 -6.139 -12.075 0.829 1.00 50.00 H new ATOM 0 HB2 PHE A 87 -7.277 -14.522 0.895 1.00 50.00 H new ATOM 0 HB3 PHE A 87 -5.561 -14.340 1.201 1.00 50.00 H new ATOM 0 HD1 PHE A 87 -8.835 -14.169 3.055 1.00 50.00 H new ATOM 0 HD2 PHE A 87 -4.679 -15.247 3.167 1.00 50.00 H new ATOM 0 HE1 PHE A 87 -9.134 -15.084 5.339 1.00 50.00 H new ATOM 0 HE2 PHE A 87 -4.978 -16.168 5.449 1.00 50.00 H new ATOM 0 HZ PHE A 87 -7.205 -16.082 6.538 1.00 50.00 H new ATOM 1282 N GLY A 88 -8.541 -11.820 0.192 1.00 50.00 N ATOM 1283 CA GLY A 88 -9.953 -11.434 -0.085 1.00 50.00 C ATOM 1284 C GLY A 88 -10.018 -9.931 -0.364 1.00 50.00 C ATOM 1285 O GLY A 88 -9.142 -9.183 0.021 1.00 50.00 O ATOM 0 H GLY A 88 -7.914 -11.780 -0.612 1.00 50.00 H new ATOM 0 HA2 GLY A 88 -10.334 -11.992 -0.941 1.00 50.00 H new ATOM 0 HA3 GLY A 88 -10.585 -11.686 0.767 1.00 50.00 H new ATOM 1289 N ASP A 89 -11.046 -9.480 -1.028 1.00 50.00 N ATOM 1290 CA ASP A 89 -11.154 -8.024 -1.325 1.00 50.00 C ATOM 1291 C ASP A 89 -10.994 -7.215 -0.035 1.00 50.00 C ATOM 1292 O ASP A 89 -11.355 -7.661 1.036 1.00 50.00 O ATOM 1293 CB ASP A 89 -12.555 -7.840 -1.909 1.00 50.00 C ATOM 1294 CG ASP A 89 -12.752 -8.804 -3.081 1.00 50.00 C ATOM 1295 OD1 ASP A 89 -12.589 -9.995 -2.875 1.00 50.00 O ATOM 1296 OD2 ASP A 89 -13.062 -8.335 -4.163 1.00 50.00 O ATOM 0 H ASP A 89 -11.813 -10.054 -1.377 1.00 50.00 H new ATOM 0 HA ASP A 89 -10.382 -7.681 -2.014 1.00 50.00 H new ATOM 0 HB2 ASP A 89 -13.307 -8.025 -1.142 1.00 50.00 H new ATOM 0 HB3 ASP A 89 -12.688 -6.811 -2.244 1.00 50.00 H new ATOM 1301 N SER A 90 -10.448 -6.032 -0.124 1.00 50.00 N ATOM 1302 CA SER A 90 -10.259 -5.208 1.105 1.00 50.00 C ATOM 1303 C SER A 90 -10.794 -3.789 0.893 1.00 50.00 C ATOM 1304 O SER A 90 -10.597 -3.189 -0.145 1.00 50.00 O ATOM 1305 CB SER A 90 -8.747 -5.179 1.325 1.00 50.00 C ATOM 1306 OG SER A 90 -8.120 -4.575 0.202 1.00 50.00 O ATOM 0 H SER A 90 -10.126 -5.602 -0.991 1.00 50.00 H new ATOM 0 HA SER A 90 -10.795 -5.619 1.960 1.00 50.00 H new ATOM 0 HB2 SER A 90 -8.511 -4.622 2.231 1.00 50.00 H new ATOM 0 HB3 SER A 90 -8.369 -6.192 1.466 1.00 50.00 H new ATOM 0 HG SER A 90 -7.150 -4.553 0.341 1.00 50.00 H new ATOM 1312 N TYR A 91 -11.458 -3.240 1.876 1.00 50.00 N ATOM 1313 CA TYR A 91 -11.990 -1.857 1.735 1.00 50.00 C ATOM 1314 C TYR A 91 -10.948 -0.858 2.238 1.00 50.00 C ATOM 1315 O TYR A 91 -10.743 -0.706 3.426 1.00 50.00 O ATOM 1316 CB TYR A 91 -13.240 -1.816 2.615 1.00 50.00 C ATOM 1317 CG TYR A 91 -14.468 -1.726 1.742 1.00 50.00 C ATOM 1318 CD1 TYR A 91 -14.484 -0.861 0.642 1.00 50.00 C ATOM 1319 CD2 TYR A 91 -15.592 -2.509 2.033 1.00 50.00 C ATOM 1320 CE1 TYR A 91 -15.624 -0.777 -0.167 1.00 50.00 C ATOM 1321 CE2 TYR A 91 -16.731 -2.427 1.223 1.00 50.00 C ATOM 1322 CZ TYR A 91 -16.747 -1.560 0.123 1.00 50.00 C ATOM 1323 OH TYR A 91 -17.871 -1.479 -0.674 1.00 49.57 O ATOM 0 H TYR A 91 -11.654 -3.691 2.770 1.00 50.00 H new ATOM 0 HA TYR A 91 -12.219 -1.600 0.701 1.00 50.00 H new ATOM 0 HB2 TYR A 91 -13.288 -2.709 3.238 1.00 50.00 H new ATOM 0 HB3 TYR A 91 -13.196 -0.960 3.288 1.00 50.00 H new ATOM 0 HD1 TYR A 91 -13.617 -0.258 0.417 1.00 50.00 H new ATOM 0 HD2 TYR A 91 -15.580 -3.176 2.882 1.00 50.00 H new ATOM 0 HE1 TYR A 91 -15.636 -0.108 -1.015 1.00 50.00 H new ATOM 0 HE2 TYR A 91 -17.597 -3.032 1.446 1.00 50.00 H new ATOM 0 HH TYR A 91 -18.558 -2.089 -0.334 1.00 49.57 H new ATOM 1333 N ILE A 92 -10.277 -0.184 1.346 1.00 50.00 N ATOM 1334 CA ILE A 92 -9.240 0.792 1.786 1.00 50.00 C ATOM 1335 C ILE A 92 -9.769 2.223 1.661 1.00 50.00 C ATOM 1336 O ILE A 92 -10.372 2.585 0.672 1.00 50.00 O ATOM 1337 CB ILE A 92 -8.063 0.565 0.837 1.00 50.00 C ATOM 1338 CG1 ILE A 92 -6.851 1.361 1.325 1.00 50.00 C ATOM 1339 CG2 ILE A 92 -8.445 1.030 -0.569 1.00 50.00 C ATOM 1340 CD1 ILE A 92 -5.777 1.372 0.235 1.00 50.00 C ATOM 0 H ILE A 92 -10.400 -0.265 0.337 1.00 50.00 H new ATOM 0 HA ILE A 92 -8.956 0.654 2.829 1.00 50.00 H new ATOM 0 HB ILE A 92 -7.815 -0.496 0.815 1.00 50.00 H new ATOM 0 HG12 ILE A 92 -7.147 2.381 1.570 1.00 50.00 H new ATOM 0 HG13 ILE A 92 -6.454 0.917 2.238 1.00 50.00 H new ATOM 0 HG21 ILE A 92 -7.606 0.868 -1.246 1.00 50.00 H new ATOM 0 HG22 ILE A 92 -9.308 0.462 -0.918 1.00 50.00 H new ATOM 0 HG23 ILE A 92 -8.694 2.091 -0.546 1.00 50.00 H new ATOM 0 HD11 ILE A 92 -4.913 1.939 0.581 1.00 50.00 H new ATOM 0 HD12 ILE A 92 -5.474 0.349 0.012 1.00 50.00 H new ATOM 0 HD13 ILE A 92 -6.178 1.836 -0.666 1.00 50.00 H new ATOM 1352 N VAL A 93 -9.555 3.040 2.657 1.00 50.00 N ATOM 1353 CA VAL A 93 -10.059 4.444 2.584 1.00 50.00 C ATOM 1354 C VAL A 93 -8.921 5.445 2.812 1.00 50.00 C ATOM 1355 O VAL A 93 -8.358 5.527 3.886 1.00 50.00 O ATOM 1356 CB VAL A 93 -11.093 4.551 3.704 1.00 50.00 C ATOM 1357 CG1 VAL A 93 -11.898 5.840 3.537 1.00 50.00 C ATOM 1358 CG2 VAL A 93 -12.037 3.349 3.642 1.00 50.00 C ATOM 0 H VAL A 93 -9.056 2.799 3.514 1.00 50.00 H new ATOM 0 HA VAL A 93 -10.483 4.672 1.606 1.00 50.00 H new ATOM 0 HB VAL A 93 -10.583 4.565 4.667 1.00 50.00 H new ATOM 0 HG11 VAL A 93 -12.635 5.915 4.337 1.00 50.00 H new ATOM 0 HG12 VAL A 93 -11.226 6.697 3.582 1.00 50.00 H new ATOM 0 HG13 VAL A 93 -12.408 5.828 2.574 1.00 50.00 H new ATOM 0 HG21 VAL A 93 -12.775 3.424 4.441 1.00 50.00 H new ATOM 0 HG22 VAL A 93 -12.546 3.335 2.678 1.00 50.00 H new ATOM 0 HG23 VAL A 93 -11.464 2.430 3.763 1.00 50.00 H new ATOM 1368 N VAL A 94 -8.589 6.219 1.813 1.00 50.00 N ATOM 1369 CA VAL A 94 -7.502 7.226 1.974 1.00 50.00 C ATOM 1370 C VAL A 94 -8.117 8.621 2.121 1.00 50.00 C ATOM 1371 O VAL A 94 -8.575 9.208 1.161 1.00 50.00 O ATOM 1372 CB VAL A 94 -6.683 7.130 0.686 1.00 50.00 C ATOM 1373 CG1 VAL A 94 -5.399 7.948 0.829 1.00 50.00 C ATOM 1374 CG2 VAL A 94 -6.326 5.665 0.419 1.00 50.00 C ATOM 0 H VAL A 94 -9.025 6.197 0.891 1.00 50.00 H new ATOM 0 HA VAL A 94 -6.887 7.048 2.856 1.00 50.00 H new ATOM 0 HB VAL A 94 -7.269 7.522 -0.145 1.00 50.00 H new ATOM 0 HG11 VAL A 94 -4.818 7.877 -0.091 1.00 50.00 H new ATOM 0 HG12 VAL A 94 -5.651 8.991 1.019 1.00 50.00 H new ATOM 0 HG13 VAL A 94 -4.811 7.560 1.660 1.00 50.00 H new ATOM 0 HG21 VAL A 94 -5.742 5.594 -0.499 1.00 50.00 H new ATOM 0 HG22 VAL A 94 -5.741 5.275 1.252 1.00 50.00 H new ATOM 0 HG23 VAL A 94 -7.240 5.081 0.313 1.00 50.00 H new ATOM 1384 N GLY A 95 -8.144 9.154 3.313 1.00 50.00 N ATOM 1385 CA GLY A 95 -8.747 10.509 3.503 1.00 50.00 C ATOM 1386 C GLY A 95 -8.156 11.181 4.745 1.00 50.00 C ATOM 1387 O GLY A 95 -7.459 10.564 5.526 1.00 50.00 O ATOM 0 H GLY A 95 -7.778 8.716 4.158 1.00 50.00 H new ATOM 0 HA2 GLY A 95 -8.560 11.125 2.623 1.00 50.00 H new ATOM 0 HA3 GLY A 95 -9.829 10.422 3.607 1.00 50.00 H new ATOM 1391 N MET A 96 -8.431 12.445 4.931 1.00 50.00 N ATOM 1392 CA MET A 96 -7.886 13.165 6.119 1.00 50.00 C ATOM 1393 C MET A 96 -9.014 13.532 7.092 1.00 50.00 C ATOM 1394 O MET A 96 -8.941 13.254 8.272 1.00 50.00 O ATOM 1395 CB MET A 96 -7.239 14.428 5.549 1.00 50.00 C ATOM 1396 CG MET A 96 -6.058 14.843 6.430 1.00 50.00 C ATOM 1397 SD MET A 96 -5.585 16.547 6.041 1.00 50.00 S ATOM 1398 CE MET A 96 -5.152 16.271 4.305 1.00 50.00 C ATOM 0 H MET A 96 -9.010 13.011 4.311 1.00 50.00 H new ATOM 0 HA MET A 96 -7.177 12.555 6.679 1.00 50.00 H new ATOM 0 HB2 MET A 96 -6.899 14.246 4.530 1.00 50.00 H new ATOM 0 HB3 MET A 96 -7.971 15.234 5.502 1.00 50.00 H new ATOM 0 HG2 MET A 96 -6.329 14.761 7.483 1.00 50.00 H new ATOM 0 HG3 MET A 96 -5.214 14.173 6.265 1.00 50.00 H new ATOM 0 HE1 MET A 96 -4.523 17.088 3.952 1.00 50.00 H new ATOM 0 HE2 MET A 96 -4.611 15.330 4.210 1.00 50.00 H new ATOM 0 HE3 MET A 96 -6.061 16.228 3.706 1.00 50.00 H new ATOM 1408 N GLY A 97 -10.053 14.158 6.608 1.00 50.00 N ATOM 1409 CA GLY A 97 -11.176 14.545 7.511 1.00 50.00 C ATOM 1410 C GLY A 97 -12.384 13.639 7.256 1.00 50.00 C ATOM 1411 O GLY A 97 -12.244 12.468 6.965 1.00 50.00 O ATOM 0 H GLY A 97 -10.173 14.418 5.629 1.00 50.00 H new ATOM 0 HA2 GLY A 97 -10.862 14.464 8.552 1.00 50.00 H new ATOM 0 HA3 GLY A 97 -11.449 15.586 7.341 1.00 50.00 H new ATOM 1415 N ASP A 98 -13.572 14.172 7.367 1.00 50.00 N ATOM 1416 CA ASP A 98 -14.789 13.342 7.134 1.00 50.00 C ATOM 1417 C ASP A 98 -14.830 12.851 5.685 1.00 50.00 C ATOM 1418 O ASP A 98 -15.259 11.750 5.404 1.00 50.00 O ATOM 1419 CB ASP A 98 -15.968 14.274 7.415 1.00 50.00 C ATOM 1420 CG ASP A 98 -15.847 15.527 6.547 1.00 50.00 C ATOM 1421 OD1 ASP A 98 -16.134 15.436 5.366 1.00 50.00 O ATOM 1422 OD2 ASP A 98 -15.468 16.558 7.080 1.00 50.00 O ATOM 0 H ASP A 98 -13.752 15.146 7.609 1.00 50.00 H new ATOM 0 HA ASP A 98 -14.808 12.457 7.770 1.00 50.00 H new ATOM 0 HB2 ASP A 98 -16.907 13.763 7.205 1.00 50.00 H new ATOM 0 HB3 ASP A 98 -15.984 14.550 8.469 1.00 50.00 H new ATOM 1427 N LYS A 99 -14.388 13.661 4.761 1.00 50.00 N ATOM 1428 CA LYS A 99 -14.405 13.240 3.335 1.00 50.00 C ATOM 1429 C LYS A 99 -13.220 12.315 3.043 1.00 50.00 C ATOM 1430 O LYS A 99 -12.075 12.706 3.145 1.00 50.00 O ATOM 1431 CB LYS A 99 -14.283 14.539 2.536 1.00 50.00 C ATOM 1432 CG LYS A 99 -14.995 14.379 1.191 1.00 50.00 C ATOM 1433 CD LYS A 99 -16.503 14.542 1.389 1.00 50.00 C ATOM 1434 CE LYS A 99 -16.933 15.932 0.919 1.00 50.00 C ATOM 1435 NZ LYS A 99 -17.215 16.691 2.169 1.00 50.00 N ATOM 0 H LYS A 99 -14.017 14.595 4.934 1.00 50.00 H new ATOM 0 HA LYS A 99 -15.309 12.688 3.078 1.00 50.00 H new ATOM 0 HB2 LYS A 99 -14.721 15.365 3.096 1.00 50.00 H new ATOM 0 HB3 LYS A 99 -13.233 14.783 2.377 1.00 50.00 H new ATOM 0 HG2 LYS A 99 -14.628 15.122 0.483 1.00 50.00 H new ATOM 0 HG3 LYS A 99 -14.777 13.399 0.767 1.00 50.00 H new ATOM 0 HD2 LYS A 99 -17.039 13.776 0.829 1.00 50.00 H new ATOM 0 HD3 LYS A 99 -16.759 14.407 2.440 1.00 50.00 H new ATOM 0 HE2 LYS A 99 -16.148 16.412 0.335 1.00 50.00 H new ATOM 0 HE3 LYS A 99 -17.816 15.878 0.282 1.00 50.00 H new ATOM 0 HZ1 LYS A 99 -17.516 17.657 1.928 1.00 50.00 H new ATOM 0 HZ2 LYS A 99 -17.971 16.215 2.701 1.00 50.00 H new ATOM 0 HZ3 LYS A 99 -16.355 16.732 2.752 1.00 50.00 H new ATOM 1449 N GLN A 100 -13.489 11.089 2.685 1.00 0.00 N ATOM 1450 CA GLN A 100 -12.378 10.138 2.391 1.00 0.00 C ATOM 1451 C GLN A 100 -12.726 9.283 1.168 1.00 0.00 C ATOM 1452 O GLN A 100 -13.875 8.989 0.910 1.00 0.00 O ATOM 1453 CB GLN A 100 -12.240 9.261 3.644 1.00 0.00 C ATOM 1454 CG GLN A 100 -13.509 9.354 4.498 1.00 0.00 C ATOM 1455 CD GLN A 100 -14.697 8.803 3.710 1.00 0.00 C ATOM 1456 OE1 GLN A 100 -15.814 9.253 3.875 1.00 0.00 O ATOM 1457 NE2 GLN A 100 -14.504 7.839 2.853 1.00 0.00 N ATOM 0 H GLN A 100 -14.428 10.705 2.583 1.00 0.00 H new ATOM 0 HA GLN A 100 -11.447 10.657 2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -12.063 8.225 3.354 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.376 9.581 4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -13.380 8.791 5.422 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.695 10.390 4.779 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -13.567 7.461 2.714 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.290 7.464 2.322 1.00 0.00 H new ATOM 1466 N ILE A 101 -11.740 8.888 0.411 1.00 0.00 N ATOM 1467 CA ILE A 101 -12.014 8.054 -0.795 1.00 0.00 C ATOM 1468 C ILE A 101 -11.859 6.570 -0.452 1.00 0.00 C ATOM 1469 O ILE A 101 -10.770 6.089 -0.208 1.00 0.00 O ATOM 1470 CB ILE A 101 -10.964 8.482 -1.821 1.00 0.00 C ATOM 1471 CG1 ILE A 101 -11.275 7.833 -3.171 1.00 0.00 C ATOM 1472 CG2 ILE A 101 -9.577 8.038 -1.349 1.00 0.00 C ATOM 1473 CD1 ILE A 101 -12.280 8.697 -3.935 1.00 0.00 C ATOM 0 H ILE A 101 -10.757 9.106 0.574 1.00 0.00 H new ATOM 0 HA ILE A 101 -13.028 8.190 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 101 -10.982 9.567 -1.927 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -10.360 7.722 -3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -11.680 6.832 -3.020 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.829 8.343 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -9.354 8.501 -0.388 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -9.559 6.953 -1.242 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -12.501 8.234 -4.897 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -13.199 8.785 -3.355 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -11.857 9.688 -4.098 1.00 0.00 H new ATOM 1485 N ASN A 102 -12.941 5.839 -0.424 1.00 0.00 N ATOM 1486 CA ASN A 102 -12.850 4.388 -0.090 1.00 0.00 C ATOM 1487 C ASN A 102 -12.942 3.539 -1.361 1.00 0.00 C ATOM 1488 O ASN A 102 -13.812 3.731 -2.188 1.00 0.00 O ATOM 1489 CB ASN A 102 -14.044 4.115 0.827 1.00 0.00 C ATOM 1490 CG ASN A 102 -15.330 4.582 0.145 1.00 0.00 C ATOM 1491 OD1 ASN A 102 -15.294 5.127 -0.941 1.00 0.00 O ATOM 1492 ND2 ASN A 102 -16.475 4.391 0.741 1.00 0.00 N ATOM 0 H ASN A 102 -13.882 6.183 -0.617 1.00 0.00 H new ATOM 0 HA ASN A 102 -11.903 4.136 0.388 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -14.106 3.051 1.053 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -13.914 4.636 1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -17.339 4.699 0.296 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -16.506 3.934 1.652 1.00 0.00 H new ATOM 1499 N HIS A 103 -12.051 2.599 -1.518 1.00 0.00 N ATOM 1500 CA HIS A 103 -12.081 1.732 -2.729 1.00 0.00 C ATOM 1501 C HIS A 103 -12.230 0.265 -2.323 1.00 0.00 C ATOM 1502 O HIS A 103 -12.152 -0.081 -1.160 1.00 0.00 O ATOM 1503 CB HIS A 103 -10.738 1.966 -3.419 1.00 0.00 C ATOM 1504 CG HIS A 103 -10.790 3.261 -4.181 1.00 0.00 C ATOM 1505 ND1 HIS A 103 -11.948 3.709 -4.794 1.00 0.00 N ATOM 1506 CD2 HIS A 103 -9.836 4.215 -4.437 1.00 0.00 C ATOM 1507 CE1 HIS A 103 -11.667 4.884 -5.383 1.00 0.00 C ATOM 1508 NE2 HIS A 103 -10.392 5.240 -5.197 1.00 0.00 N ATOM 0 H HIS A 103 -11.301 2.394 -0.858 1.00 0.00 H new ATOM 0 HA HIS A 103 -12.920 1.966 -3.385 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -9.937 1.997 -2.680 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.515 1.141 -4.096 1.00 0.00 H new ATOM 0 HD1 HIS A 103 -12.850 3.234 -4.798 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -8.811 4.176 -4.100 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -12.384 5.469 -5.939 1.00 0.00 H new ATOM 1516 N HIS A 104 -12.445 -0.600 -3.274 1.00 0.00 N ATOM 1517 CA HIS A 104 -12.603 -2.048 -2.947 1.00 0.00 C ATOM 1518 C HIS A 104 -11.518 -2.875 -3.641 1.00 0.00 C ATOM 1519 O HIS A 104 -11.751 -3.488 -4.664 1.00 0.00 O ATOM 1520 CB HIS A 104 -13.988 -2.427 -3.479 1.00 0.00 C ATOM 1521 CG HIS A 104 -14.229 -1.745 -4.799 1.00 0.00 C ATOM 1522 ND1 HIS A 104 -13.316 -1.802 -5.840 1.00 0.00 N ATOM 1523 CD2 HIS A 104 -15.276 -0.984 -5.260 1.00 0.00 C ATOM 1524 CE1 HIS A 104 -13.825 -1.095 -6.865 1.00 0.00 C ATOM 1525 NE2 HIS A 104 -15.018 -0.575 -6.565 1.00 0.00 N ATOM 0 H HIS A 104 -12.519 -0.369 -4.265 1.00 0.00 H new ATOM 0 HA HIS A 104 -12.509 -2.239 -1.878 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -14.059 -3.508 -3.599 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -14.756 -2.135 -2.762 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -12.421 -2.291 -5.831 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -16.164 -0.740 -4.696 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -13.329 -0.964 -7.815 1.00 0.00 H new ATOM 1533 N TRP A 105 -10.335 -2.902 -3.091 1.00 0.00 N ATOM 1534 CA TRP A 105 -9.240 -3.695 -3.720 1.00 0.00 C ATOM 1535 C TRP A 105 -9.709 -5.131 -3.966 1.00 0.00 C ATOM 1536 O TRP A 105 -10.313 -5.751 -3.113 1.00 0.00 O ATOM 1537 CB TRP A 105 -8.096 -3.670 -2.705 1.00 0.00 C ATOM 1538 CG TRP A 105 -7.077 -2.663 -3.131 1.00 0.00 C ATOM 1539 CD1 TRP A 105 -5.755 -2.725 -2.848 1.00 0.00 C ATOM 1540 CD2 TRP A 105 -7.270 -1.446 -3.909 1.00 0.00 C ATOM 1541 NE1 TRP A 105 -5.125 -1.626 -3.403 1.00 0.00 N ATOM 1542 CE2 TRP A 105 -6.017 -0.807 -4.067 1.00 0.00 C ATOM 1543 CE3 TRP A 105 -8.400 -0.840 -4.488 1.00 0.00 C ATOM 1544 CZ2 TRP A 105 -5.889 0.389 -4.775 1.00 0.00 C ATOM 1545 CZ3 TRP A 105 -8.275 0.364 -5.200 1.00 0.00 C ATOM 1546 CH2 TRP A 105 -7.023 0.977 -5.343 1.00 0.00 C ATOM 0 H TRP A 105 -10.079 -2.410 -2.235 1.00 0.00 H new ATOM 0 HA TRP A 105 -8.935 -3.288 -4.684 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -8.479 -3.420 -1.715 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -7.639 -4.657 -2.631 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -5.271 -3.506 -2.281 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -4.124 -1.443 -3.331 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -9.370 -1.304 -4.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -4.921 0.857 -4.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -9.149 0.820 -5.640 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -6.934 1.903 -5.892 1.00 0.00 H new ATOM 1557 N HIS A 106 -9.439 -5.665 -5.125 1.00 0.00 N ATOM 1558 CA HIS A 106 -9.876 -7.060 -5.421 1.00 0.00 C ATOM 1559 C HIS A 106 -8.666 -7.993 -5.499 1.00 0.00 C ATOM 1560 O HIS A 106 -7.995 -8.071 -6.509 1.00 0.00 O ATOM 1561 CB HIS A 106 -10.576 -6.978 -6.777 1.00 0.00 C ATOM 1562 CG HIS A 106 -12.055 -7.167 -6.590 1.00 0.00 C ATOM 1563 ND1 HIS A 106 -12.727 -8.276 -7.081 1.00 0.00 N ATOM 1564 CD2 HIS A 106 -13.006 -6.399 -5.965 1.00 0.00 C ATOM 1565 CE1 HIS A 106 -14.024 -8.145 -6.746 1.00 0.00 C ATOM 1566 NE2 HIS A 106 -14.248 -7.019 -6.065 1.00 0.00 N ATOM 0 H HIS A 106 -8.936 -5.198 -5.879 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.532 -7.457 -4.646 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.378 -6.013 -7.243 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.183 -7.742 -7.448 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -12.819 -5.457 -5.471 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.790 -8.863 -6.998 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -15.139 -6.685 -5.697 1.00 0.00 H new ATOM 1574 N LYS A 107 -8.387 -8.705 -4.443 1.00 0.00 N ATOM 1575 CA LYS A 107 -7.225 -9.637 -4.459 1.00 0.00 C ATOM 1576 C LYS A 107 -7.713 -11.085 -4.373 1.00 0.00 C ATOM 1577 O LYS A 107 -6.954 -12.018 -4.548 1.00 0.00 O ATOM 1578 CB LYS A 107 -6.404 -9.272 -3.221 1.00 0.00 C ATOM 1579 CG LYS A 107 -5.078 -10.036 -3.246 1.00 0.00 C ATOM 1580 CD LYS A 107 -4.035 -9.220 -4.010 1.00 0.00 C ATOM 1581 CE LYS A 107 -2.979 -8.700 -3.033 1.00 0.00 C ATOM 1582 NZ LYS A 107 -3.053 -7.217 -3.141 1.00 0.00 N ATOM 0 H LYS A 107 -8.913 -8.682 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 107 -6.638 -9.552 -5.374 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.217 -8.198 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.961 -9.518 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.735 -10.224 -2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -5.215 -11.008 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.565 -9.837 -4.776 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.514 -8.386 -4.522 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.185 -9.033 -2.016 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.986 -9.066 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -2.870 -6.792 -2.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.340 -6.882 -3.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.000 -6.940 -3.469 1.00 0.00 H new ATOM 1596 N ALA A 108 -8.976 -11.279 -4.107 1.00 0.00 N ATOM 1597 CA ALA A 108 -9.514 -12.666 -4.011 1.00 0.00 C ATOM 1598 C ALA A 108 -9.041 -13.497 -5.206 1.00 0.00 C ATOM 1599 O ALA A 108 -8.738 -12.971 -6.257 1.00 0.00 O ATOM 1600 CB ALA A 108 -11.034 -12.504 -4.037 1.00 0.00 C ATOM 0 H ALA A 108 -9.659 -10.537 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 108 -9.176 -13.181 -3.112 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -11.506 -13.484 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.349 -11.891 -3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -11.333 -12.021 -4.967 1.00 0.00 H new ATOM 1606 N GLY A 109 -8.974 -14.791 -5.053 1.00 0.00 N ATOM 1607 CA GLY A 109 -8.519 -15.650 -6.182 1.00 0.00 C ATOM 1608 C GLY A 109 -9.099 -17.056 -6.023 1.00 0.00 C ATOM 1609 O GLY A 109 -9.205 -17.575 -4.930 1.00 0.00 O ATOM 0 H GLY A 109 -9.214 -15.290 -4.196 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.838 -15.219 -7.131 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.430 -15.695 -6.202 1.00 0.00 H new ATOM 1613 N SER A 110 -9.474 -17.678 -7.107 1.00 0.00 N ATOM 1614 CA SER A 110 -10.046 -19.052 -7.018 1.00 0.00 C ATOM 1615 C SER A 110 -8.977 -20.038 -6.541 1.00 0.00 C ATOM 1616 O SER A 110 -7.860 -19.661 -6.245 1.00 0.00 O ATOM 1617 CB SER A 110 -10.488 -19.390 -8.441 1.00 0.00 C ATOM 1618 OG SER A 110 -9.342 -19.524 -9.270 1.00 0.00 O ATOM 0 H SER A 110 -9.409 -17.295 -8.050 1.00 0.00 H new ATOM 0 HA SER A 110 -10.872 -19.110 -6.310 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.064 -20.315 -8.445 1.00 0.00 H new ATOM 0 HB3 SER A 110 -11.141 -18.607 -8.827 1.00 0.00 H new ATOM 0 HG SER A 110 -9.623 -19.743 -10.183 1.00 0.00 H new ATOM 1624 N THR A 111 -9.309 -21.297 -6.465 1.00 0.00 N ATOM 1625 CA THR A 111 -8.310 -22.305 -6.009 1.00 0.00 C ATOM 1626 C THR A 111 -8.546 -23.642 -6.715 1.00 0.00 C ATOM 1627 O THR A 111 -8.241 -24.664 -6.124 1.00 49.57 O ATOM 1628 CB THR A 111 -8.545 -22.443 -4.504 1.00 0.00 C ATOM 1629 OG1 THR A 111 -8.570 -21.153 -3.909 1.00 0.00 O ATOM 1630 CG2 THR A 111 -7.419 -23.271 -3.885 1.00 0.00 C ATOM 1631 OXT THR A 111 -9.029 -23.619 -7.836 1.00 49.57 O ATOM 0 H THR A 111 -10.228 -21.672 -6.699 1.00 0.00 H new ATOM 0 HA THR A 111 -7.287 -22.004 -6.236 1.00 0.00 H new ATOM 0 HB THR A 111 -9.498 -22.942 -4.329 1.00 0.00 H new ATOM 0 HG1 THR A 111 -8.722 -21.240 -2.945 1.00 0.00 H new ATOM 0 HG21 THR A 111 -7.587 -23.369 -2.812 1.00 0.00 H new ATOM 0 HG22 THR A 111 -7.402 -24.261 -4.342 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.464 -22.775 -4.059 1.00 0.00 H new TER 1639 THR A 111