USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 40 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 42 CYS SG : rot 160:sc= -1.75 USER MOD Set 2.1: A 41 THR OG1 : rot 157:sc= -1.07 USER MOD Set 2.2: A 50 LYS NZ :NH3+ -179:sc= 1.94 (180deg=0.977) USER MOD Single : A 1 MET CE :methyl -159:sc= -0.199 (180deg=-0.79) USER MOD Single : A 2 LYS NZ :NH3+ 144:sc= -2.87 (180deg=-6.1!) USER MOD Single : A 3 MET CE :methyl -158:sc= -0.211 (180deg=-0.764) USER MOD Single : A 6 LYS NZ :NH3+ 160:sc= 0.16 (180deg=-0.422) USER MOD Single : A -1 HIS : no HD1:sc= -0.208 K(o=-0.21,f=-1.3) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -1.57! C(o=-1.6!,f=-4.2!) USER MOD Single : A 25 ASN : amide:sc= -9.73! C(o=-9.7!,f=-19!) USER MOD Single : A 26 SER OG : rot -10:sc= 0.348 USER MOD Single : A 31 MET CE :methyl -177:sc= -3.31 (180deg=-3.46) USER MOD Single : A 36 ASN : amide:sc= -4.52! C(o=-4.5!,f=-1.9!) USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.0177 (180deg=-0.211) USER MOD Single : A 44 SER OG : rot 54:sc= -0.237 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.6 X(o=-1.6,f=-2.1) USER MOD Single : A 59 THR OG1 : rot 28:sc= -0.834 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= -0.0396 (180deg=-0.22) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 60:sc= 1.08 USER MOD Single : A 77 ASN : amide:sc= -1.98! K(o=-2!,f=-0.73) USER MOD Single : A 78 LYS NZ :NH3+ -109:sc= -1.95 (180deg=-4.85!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -18.576 1.985 5.238 1.00 0.00 N ATOM 2 CA GLY A -3 -17.688 2.985 5.893 1.00 0.00 C ATOM 3 C GLY A -3 -17.576 4.270 5.097 1.00 0.00 C ATOM 4 O GLY A -3 -18.577 4.796 4.611 1.00 0.00 O ATOM 0 H1 GLY A -3 -18.619 1.125 5.821 1.00 0.00 H new ATOM 0 H2 GLY A -3 -19.531 2.383 5.136 1.00 0.00 H new ATOM 0 H3 GLY A -3 -18.198 1.748 4.299 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -18.071 3.210 6.888 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -16.695 2.554 6.024 1.00 0.00 H new ATOM 10 N SER A -2 -16.355 4.777 4.962 1.00 0.00 N ATOM 11 CA SER A -2 -16.117 6.008 4.219 1.00 0.00 C ATOM 12 C SER A -2 -16.555 5.860 2.766 1.00 0.00 C ATOM 13 O SER A -2 -16.229 4.871 2.108 1.00 0.00 O ATOM 14 CB SER A -2 -14.637 6.389 4.282 1.00 0.00 C ATOM 15 OG SER A -2 -14.218 6.590 5.621 1.00 0.00 O ATOM 0 H SER A -2 -15.515 4.354 5.358 1.00 0.00 H new ATOM 0 HA SER A -2 -16.708 6.800 4.679 1.00 0.00 H new ATOM 0 HB2 SER A -2 -14.036 5.603 3.824 1.00 0.00 H new ATOM 0 HB3 SER A -2 -14.467 7.298 3.704 1.00 0.00 H new ATOM 0 HG SER A -2 -13.268 6.831 5.634 1.00 0.00 H new ATOM 21 N HIS A -1 -17.291 6.848 2.270 1.00 0.00 N ATOM 22 CA HIS A -1 -17.772 6.828 0.895 1.00 0.00 C ATOM 23 C HIS A -1 -16.625 7.129 -0.080 1.00 0.00 C ATOM 24 O HIS A -1 -15.492 6.706 0.148 1.00 0.00 O ATOM 25 CB HIS A -1 -18.921 7.832 0.727 1.00 0.00 C ATOM 26 CG HIS A -1 -20.102 7.549 1.606 1.00 0.00 C ATOM 27 ND1 HIS A -1 -20.045 7.572 2.984 1.00 0.00 N ATOM 28 CD2 HIS A -1 -21.381 7.234 1.292 1.00 0.00 C ATOM 29 CE1 HIS A -1 -21.235 7.282 3.477 1.00 0.00 C ATOM 30 NE2 HIS A -1 -22.064 7.074 2.472 1.00 0.00 N ATOM 0 H HIS A -1 -17.568 7.674 2.801 1.00 0.00 H new ATOM 0 HA HIS A -1 -18.151 5.832 0.665 1.00 0.00 H new ATOM 0 HB2 HIS A -1 -18.551 8.834 0.943 1.00 0.00 H new ATOM 0 HB3 HIS A -1 -19.245 7.829 -0.314 1.00 0.00 H new ATOM 0 HD2 HIS A -1 -21.788 7.128 0.297 1.00 0.00 H new ATOM 0 HE1 HIS A -1 -21.487 7.225 4.526 1.00 0.00 H new ATOM 0 HE2 HIS A -1 -23.052 6.833 2.558 1.00 0.00 H new ATOM 39 N MET A 1 -16.915 7.857 -1.159 1.00 0.00 N ATOM 40 CA MET A 1 -15.896 8.199 -2.145 1.00 0.00 C ATOM 41 C MET A 1 -15.287 6.944 -2.763 1.00 0.00 C ATOM 42 O MET A 1 -14.104 6.919 -3.102 1.00 0.00 O ATOM 43 CB MET A 1 -14.798 9.047 -1.500 1.00 0.00 C ATOM 44 CG MET A 1 -15.306 10.352 -0.908 1.00 0.00 C ATOM 45 SD MET A 1 -13.992 11.329 -0.151 1.00 0.00 S ATOM 46 CE MET A 1 -13.411 10.199 1.110 1.00 0.00 C ATOM 0 H MET A 1 -17.845 8.219 -1.370 1.00 0.00 H new ATOM 0 HA MET A 1 -16.375 8.774 -2.937 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.315 8.465 -0.715 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.036 9.269 -2.247 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.785 10.940 -1.691 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.069 10.135 -0.160 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.884 10.757 1.884 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.261 9.679 1.552 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.734 9.471 0.663 1.00 0.00 H new ATOM 56 N LYS A 2 -16.104 5.906 -2.912 1.00 0.00 N ATOM 57 CA LYS A 2 -15.646 4.651 -3.496 1.00 0.00 C ATOM 58 C LYS A 2 -15.858 4.665 -5.008 1.00 0.00 C ATOM 59 O LYS A 2 -16.846 5.214 -5.494 1.00 0.00 O ATOM 60 CB LYS A 2 -16.390 3.468 -2.875 1.00 0.00 C ATOM 61 CG LYS A 2 -15.616 2.163 -2.941 1.00 0.00 C ATOM 62 CD LYS A 2 -14.395 2.204 -2.035 1.00 0.00 C ATOM 63 CE LYS A 2 -13.598 0.912 -2.100 1.00 0.00 C ATOM 64 NZ LYS A 2 -12.501 0.888 -1.094 1.00 0.00 N ATOM 0 H LYS A 2 -17.086 5.909 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 2 -14.582 4.542 -3.288 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -16.614 3.696 -1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -17.345 3.341 -3.385 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.264 1.337 -2.646 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.304 1.973 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.757 3.039 -2.323 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.711 2.384 -1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.264 0.065 -1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.178 0.794 -3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.388 -0.078 -0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.613 1.195 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.734 1.531 -0.311 1.00 0.00 H new ATOM 78 N MET A 3 -14.929 4.069 -5.751 1.00 0.00 N ATOM 79 CA MET A 3 -15.038 4.035 -7.206 1.00 0.00 C ATOM 80 C MET A 3 -14.875 2.617 -7.749 1.00 0.00 C ATOM 81 O MET A 3 -15.786 2.079 -8.381 1.00 0.00 O ATOM 82 CB MET A 3 -13.989 4.953 -7.836 1.00 0.00 C ATOM 83 CG MET A 3 -14.125 6.408 -7.419 1.00 0.00 C ATOM 84 SD MET A 3 -12.875 7.467 -8.171 1.00 0.00 S ATOM 85 CE MET A 3 -11.374 6.722 -7.539 1.00 0.00 C ATOM 0 H MET A 3 -14.101 3.608 -5.374 1.00 0.00 H new ATOM 0 HA MET A 3 -16.036 4.386 -7.470 1.00 0.00 H new ATOM 0 HB2 MET A 3 -12.996 4.597 -7.563 1.00 0.00 H new ATOM 0 HB3 MET A 3 -14.065 4.886 -8.921 1.00 0.00 H new ATOM 0 HG2 MET A 3 -15.116 6.770 -7.695 1.00 0.00 H new ATOM 0 HG3 MET A 3 -14.051 6.479 -6.334 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.564 7.450 -7.574 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.532 6.404 -6.508 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.112 5.858 -8.149 1.00 0.00 H new ATOM 95 N GLY A 4 -13.714 2.017 -7.508 1.00 0.00 N ATOM 96 CA GLY A 4 -13.465 0.670 -7.991 1.00 0.00 C ATOM 97 C GLY A 4 -11.988 0.340 -8.055 1.00 0.00 C ATOM 98 O GLY A 4 -11.589 -0.806 -7.842 1.00 0.00 O ATOM 0 H GLY A 4 -12.943 2.437 -6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.966 -0.045 -7.338 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.903 0.557 -8.983 1.00 0.00 H new ATOM 102 N VAL A 5 -11.175 1.348 -8.354 1.00 0.00 N ATOM 103 CA VAL A 5 -9.730 1.174 -8.456 1.00 0.00 C ATOM 104 C VAL A 5 -9.119 0.713 -7.140 1.00 0.00 C ATOM 105 O VAL A 5 -7.934 0.461 -7.081 1.00 0.00 O ATOM 106 CB VAL A 5 -9.005 2.457 -8.914 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.732 3.378 -7.735 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.706 2.154 -9.642 1.00 0.00 C ATOM 0 H VAL A 5 -11.495 2.300 -8.531 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.588 0.404 -9.214 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.672 2.959 -9.615 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.220 4.275 -8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.675 3.658 -7.266 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.104 2.862 -7.008 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.232 3.088 -9.945 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.037 1.606 -8.979 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.916 1.551 -10.525 1.00 0.00 H new ATOM 118 N LYS A 6 -9.902 0.627 -6.070 1.00 0.00 N ATOM 119 CA LYS A 6 -9.340 0.218 -4.789 1.00 0.00 C ATOM 120 C LYS A 6 -8.424 -0.974 -5.008 1.00 0.00 C ATOM 121 O LYS A 6 -7.262 -0.962 -4.600 1.00 0.00 O ATOM 122 CB LYS A 6 -10.468 -0.134 -3.810 1.00 0.00 C ATOM 123 CG LYS A 6 -10.001 -0.713 -2.479 1.00 0.00 C ATOM 124 CD LYS A 6 -9.647 -2.189 -2.589 1.00 0.00 C ATOM 125 CE LYS A 6 -9.461 -2.818 -1.219 1.00 0.00 C ATOM 126 NZ LYS A 6 -10.702 -2.742 -0.400 1.00 0.00 N ATOM 0 H LYS A 6 -10.902 0.829 -6.062 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.762 1.036 -4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.054 0.764 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.135 -0.851 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.132 -0.157 -2.128 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.785 -0.583 -1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.435 -2.714 -3.128 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.732 -2.303 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.166 -3.861 -1.335 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.649 -2.314 -0.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -10.660 -3.450 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.786 -1.792 0.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.528 -2.930 -1.003 1.00 0.00 H new ATOM 140 N GLU A 7 -8.934 -1.974 -5.702 1.00 0.00 N ATOM 141 CA GLU A 7 -8.144 -3.150 -6.025 1.00 0.00 C ATOM 142 C GLU A 7 -7.181 -2.863 -7.184 1.00 0.00 C ATOM 143 O GLU A 7 -6.117 -3.469 -7.271 1.00 0.00 O ATOM 144 CB GLU A 7 -9.052 -4.330 -6.372 1.00 0.00 C ATOM 145 CG GLU A 7 -9.992 -4.727 -5.244 1.00 0.00 C ATOM 146 CD GLU A 7 -10.888 -5.894 -5.612 1.00 0.00 C ATOM 147 OE1 GLU A 7 -10.776 -6.395 -6.751 1.00 0.00 O ATOM 148 OE2 GLU A 7 -11.703 -6.306 -4.760 1.00 0.00 O ATOM 0 H GLU A 7 -9.891 -1.997 -6.053 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.554 -3.410 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.642 -4.077 -7.253 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -8.434 -5.188 -6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -9.406 -4.988 -4.363 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -10.610 -3.871 -4.973 1.00 0.00 H new ATOM 155 N ASP A 8 -7.572 -1.957 -8.090 1.00 0.00 N ATOM 156 CA ASP A 8 -6.741 -1.621 -9.252 1.00 0.00 C ATOM 157 C ASP A 8 -5.416 -0.965 -8.843 1.00 0.00 C ATOM 158 O ASP A 8 -4.338 -1.426 -9.226 1.00 0.00 O ATOM 159 CB ASP A 8 -7.515 -0.731 -10.213 1.00 0.00 C ATOM 160 CG ASP A 8 -8.520 -1.507 -11.043 1.00 0.00 C ATOM 161 OD1 ASP A 8 -8.609 -2.740 -10.864 1.00 0.00 O ATOM 162 OD2 ASP A 8 -9.218 -0.884 -11.870 1.00 0.00 O ATOM 0 H ASP A 8 -8.454 -1.446 -8.041 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.490 -2.553 -9.759 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.035 0.042 -9.648 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.815 -0.224 -10.877 1.00 0.00 H new ATOM 167 N ILE A 9 -5.500 0.082 -8.030 1.00 0.00 N ATOM 168 CA ILE A 9 -4.322 0.767 -7.527 1.00 0.00 C ATOM 169 C ILE A 9 -3.536 -0.200 -6.662 1.00 0.00 C ATOM 170 O ILE A 9 -2.317 -0.311 -6.777 1.00 0.00 O ATOM 171 CB ILE A 9 -4.708 2.031 -6.716 1.00 0.00 C ATOM 172 CG1 ILE A 9 -5.066 3.178 -7.660 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.591 2.451 -5.768 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.428 4.461 -6.943 1.00 0.00 C ATOM 0 H ILE A 9 -6.383 0.476 -7.704 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.712 1.098 -8.368 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.580 1.785 -6.111 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.223 3.368 -8.324 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.904 2.873 -8.288 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.897 3.340 -5.216 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.385 1.642 -5.067 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.691 2.672 -6.342 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.670 5.231 -7.675 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.291 4.287 -6.300 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.584 4.790 -6.337 1.00 0.00 H new ATOM 186 N ARG A 10 -4.262 -0.931 -5.821 1.00 0.00 N ATOM 187 CA ARG A 10 -3.648 -1.927 -4.963 1.00 0.00 C ATOM 188 C ARG A 10 -2.938 -2.954 -5.827 1.00 0.00 C ATOM 189 O ARG A 10 -1.973 -3.581 -5.400 1.00 0.00 O ATOM 190 CB ARG A 10 -4.706 -2.612 -4.096 1.00 0.00 C ATOM 191 CG ARG A 10 -4.212 -2.961 -2.709 1.00 0.00 C ATOM 192 CD ARG A 10 -3.850 -1.707 -1.944 1.00 0.00 C ATOM 193 NE ARG A 10 -2.471 -1.736 -1.464 1.00 0.00 N ATOM 194 CZ ARG A 10 -1.909 -0.759 -0.755 1.00 0.00 C ATOM 195 NH1 ARG A 10 -2.561 0.376 -0.544 1.00 0.00 N ATOM 196 NH2 ARG A 10 -0.680 -0.902 -0.278 1.00 0.00 N ATOM 0 H ARG A 10 -5.274 -0.849 -5.719 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.929 -1.441 -4.304 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.574 -1.958 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.040 -3.522 -4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.982 -3.513 -2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -3.342 -3.614 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.992 -0.838 -2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.526 -1.592 -1.097 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.904 -2.554 -1.685 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -3.498 0.504 -0.926 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.125 1.121 -0.000 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.162 -1.763 -0.454 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.253 -0.151 0.265 1.00 0.00 H new ATOM 210 N GLY A 11 -3.414 -3.102 -7.062 1.00 0.00 N ATOM 211 CA GLY A 11 -2.787 -4.034 -7.977 1.00 0.00 C ATOM 212 C GLY A 11 -1.394 -3.564 -8.306 1.00 0.00 C ATOM 213 O GLY A 11 -0.431 -4.332 -8.272 1.00 0.00 O ATOM 0 H GLY A 11 -4.215 -2.597 -7.440 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.750 -5.028 -7.530 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.378 -4.116 -8.889 1.00 0.00 H new ATOM 217 N GLN A 12 -1.296 -2.271 -8.586 1.00 0.00 N ATOM 218 CA GLN A 12 -0.024 -1.638 -8.883 1.00 0.00 C ATOM 219 C GLN A 12 0.881 -1.700 -7.656 1.00 0.00 C ATOM 220 O GLN A 12 2.106 -1.738 -7.769 1.00 0.00 O ATOM 221 CB GLN A 12 -0.250 -0.179 -9.287 1.00 0.00 C ATOM 222 CG GLN A 12 -1.171 -0.012 -10.484 1.00 0.00 C ATOM 223 CD GLN A 12 -1.427 1.441 -10.832 1.00 0.00 C ATOM 224 OE1 GLN A 12 -2.019 2.183 -10.050 1.00 0.00 O ATOM 225 NE2 GLN A 12 -0.982 1.855 -12.012 1.00 0.00 N ATOM 0 H GLN A 12 -2.094 -1.636 -8.613 1.00 0.00 H new ATOM 0 HA GLN A 12 0.454 -2.166 -9.708 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.669 0.363 -8.439 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.713 0.279 -9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.733 -0.515 -11.346 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.121 -0.504 -10.276 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.496 1.206 -12.630 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.126 2.823 -12.301 1.00 0.00 H new ATOM 234 N ILE A 13 0.253 -1.696 -6.480 1.00 0.00 N ATOM 235 CA ILE A 13 0.970 -1.738 -5.212 1.00 0.00 C ATOM 236 C ILE A 13 1.525 -3.131 -4.918 1.00 0.00 C ATOM 237 O ILE A 13 2.682 -3.268 -4.533 1.00 0.00 O ATOM 238 CB ILE A 13 0.055 -1.282 -4.058 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.351 0.179 -4.271 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.744 -1.462 -2.710 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.296 0.711 -3.218 1.00 0.00 C ATOM 0 H ILE A 13 -0.762 -1.664 -6.383 1.00 0.00 H new ATOM 0 HA ILE A 13 1.813 -1.053 -5.295 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.841 -1.902 -4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.547 0.797 -4.285 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.821 0.276 -5.250 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.077 -1.133 -1.913 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.991 -2.514 -2.565 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.658 -0.868 -2.686 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.537 1.751 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.211 0.119 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.822 0.647 -2.238 1.00 0.00 H new ATOM 253 N ILE A 14 0.703 -4.160 -5.105 1.00 0.00 N ATOM 254 CA ILE A 14 1.141 -5.531 -4.862 1.00 0.00 C ATOM 255 C ILE A 14 2.395 -5.840 -5.673 1.00 0.00 C ATOM 256 O ILE A 14 3.414 -6.261 -5.123 1.00 0.00 O ATOM 257 CB ILE A 14 0.020 -6.548 -5.191 1.00 0.00 C ATOM 258 CG1 ILE A 14 -0.953 -6.664 -4.013 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.596 -7.917 -5.538 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.295 -7.136 -2.735 1.00 0.00 C ATOM 0 H ILE A 14 -0.263 -4.072 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 14 1.376 -5.624 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.520 -6.181 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.417 -5.693 -3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.752 -7.356 -4.278 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.217 -8.607 -5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.248 -7.828 -6.407 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.169 -8.296 -4.692 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.041 -7.196 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.145 -8.121 -2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.486 -6.432 -2.446 1.00 0.00 H new ATOM 272 N GLY A 15 2.329 -5.598 -6.979 1.00 0.00 N ATOM 273 CA GLY A 15 3.484 -5.828 -7.823 1.00 0.00 C ATOM 274 C GLY A 15 4.634 -4.934 -7.414 1.00 0.00 C ATOM 275 O GLY A 15 5.800 -5.324 -7.475 1.00 0.00 O ATOM 0 H GLY A 15 1.502 -5.249 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.788 -6.873 -7.755 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.223 -5.639 -8.864 1.00 0.00 H new ATOM 279 N ALA A 16 4.284 -3.727 -6.982 1.00 0.00 N ATOM 280 CA ALA A 16 5.258 -2.741 -6.536 1.00 0.00 C ATOM 281 C ALA A 16 5.974 -3.202 -5.267 1.00 0.00 C ATOM 282 O ALA A 16 7.094 -2.779 -4.984 1.00 0.00 O ATOM 283 CB ALA A 16 4.561 -1.408 -6.300 1.00 0.00 C ATOM 0 H ALA A 16 3.317 -3.406 -6.932 1.00 0.00 H new ATOM 0 HA ALA A 16 6.012 -2.623 -7.314 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.290 -0.670 -5.966 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.100 -1.069 -7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.792 -1.529 -5.537 1.00 0.00 H new ATOM 289 N LEU A 17 5.317 -4.073 -4.507 1.00 0.00 N ATOM 290 CA LEU A 17 5.872 -4.601 -3.271 1.00 0.00 C ATOM 291 C LEU A 17 6.798 -5.769 -3.561 1.00 0.00 C ATOM 292 O LEU A 17 7.756 -6.018 -2.829 1.00 0.00 O ATOM 293 CB LEU A 17 4.740 -5.043 -2.340 1.00 0.00 C ATOM 294 CG LEU A 17 3.983 -3.904 -1.649 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.647 -4.393 -1.110 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.823 -3.314 -0.525 1.00 0.00 C ATOM 0 H LEU A 17 4.388 -4.430 -4.732 1.00 0.00 H new ATOM 0 HA LEU A 17 6.449 -3.816 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.028 -5.635 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.155 -5.699 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 17 3.790 -3.125 -2.387 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.127 -3.568 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.039 -4.771 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.816 -5.191 -0.387 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.271 -2.506 -0.044 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.045 -4.089 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.755 -2.924 -0.934 1.00 0.00 H new ATOM 308 N ALA A 18 6.505 -6.482 -4.641 1.00 0.00 N ATOM 309 CA ALA A 18 7.315 -7.626 -5.034 1.00 0.00 C ATOM 310 C ALA A 18 8.747 -7.193 -5.327 1.00 0.00 C ATOM 311 O ALA A 18 8.993 -6.408 -6.243 1.00 0.00 O ATOM 312 CB ALA A 18 6.709 -8.312 -6.250 1.00 0.00 C ATOM 0 H ALA A 18 5.716 -6.289 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 18 7.332 -8.336 -4.207 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.326 -9.165 -6.532 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.703 -8.655 -6.010 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.664 -7.607 -7.080 1.00 0.00 H new ATOM 318 N GLY A 19 9.689 -7.705 -4.542 1.00 0.00 N ATOM 319 CA GLY A 19 11.083 -7.351 -4.733 1.00 0.00 C ATOM 320 C GLY A 19 11.802 -7.102 -3.422 1.00 0.00 C ATOM 321 O GLY A 19 12.979 -7.432 -3.278 1.00 0.00 O ATOM 0 H GLY A 19 9.512 -8.358 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.587 -8.152 -5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.146 -6.457 -5.354 1.00 0.00 H new ATOM 325 N ALA A 20 11.091 -6.512 -2.463 1.00 0.00 N ATOM 326 CA ALA A 20 11.664 -6.210 -1.154 1.00 0.00 C ATOM 327 C ALA A 20 12.274 -7.445 -0.516 1.00 0.00 C ATOM 328 O ALA A 20 12.343 -8.508 -1.132 1.00 0.00 O ATOM 329 CB ALA A 20 10.590 -5.638 -0.239 1.00 0.00 C ATOM 0 H ALA A 20 10.116 -6.233 -2.569 1.00 0.00 H new ATOM 0 HA ALA A 20 12.457 -5.476 -1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.024 -5.415 0.736 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.189 -4.723 -0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.787 -6.366 -0.121 1.00 0.00 H new ATOM 335 N ASP A 21 12.677 -7.301 0.739 1.00 0.00 N ATOM 336 CA ASP A 21 13.238 -8.411 1.496 1.00 0.00 C ATOM 337 C ASP A 21 12.165 -9.493 1.617 1.00 0.00 C ATOM 338 O ASP A 21 11.665 -9.970 0.599 1.00 0.00 O ATOM 339 CB ASP A 21 13.716 -7.912 2.863 1.00 0.00 C ATOM 340 CG ASP A 21 15.156 -7.437 2.834 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.469 -6.547 2.017 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.967 -7.954 3.627 1.00 0.00 O ATOM 0 H ASP A 21 12.625 -6.423 1.256 1.00 0.00 H new ATOM 0 HA ASP A 21 14.105 -8.836 0.991 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.074 -7.096 3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.615 -8.713 3.595 1.00 0.00 H new ATOM 347 N PHE A 22 11.748 -9.852 2.831 1.00 0.00 N ATOM 348 CA PHE A 22 10.679 -10.825 2.965 1.00 0.00 C ATOM 349 C PHE A 22 9.458 -10.230 2.281 1.00 0.00 C ATOM 350 O PHE A 22 9.531 -9.110 1.775 1.00 0.00 O ATOM 351 CB PHE A 22 10.407 -11.158 4.450 1.00 0.00 C ATOM 352 CG PHE A 22 9.633 -10.110 5.219 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.398 -9.681 4.763 1.00 0.00 C ATOM 354 CD2 PHE A 22 10.129 -9.563 6.397 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.682 -8.731 5.462 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.419 -8.617 7.097 1.00 0.00 C ATOM 357 CZ PHE A 22 8.231 -8.173 6.630 1.00 0.00 C ATOM 0 H PHE A 22 12.124 -9.493 3.708 1.00 0.00 H new ATOM 0 HA PHE A 22 10.950 -11.771 2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.859 -12.099 4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.362 -11.319 4.950 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.991 -10.094 3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.090 -9.887 6.769 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.708 -8.419 5.115 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.812 -8.227 8.024 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.703 -7.390 7.154 1.00 0.00 H new ATOM 367 N PRO A 23 8.318 -10.921 2.245 1.00 0.00 N ATOM 368 CA PRO A 23 7.131 -10.368 1.607 1.00 0.00 C ATOM 369 C PRO A 23 6.596 -9.126 2.334 1.00 0.00 C ATOM 370 O PRO A 23 5.496 -9.167 2.881 1.00 0.00 O ATOM 371 CB PRO A 23 6.122 -11.516 1.663 1.00 0.00 C ATOM 372 CG PRO A 23 6.571 -12.358 2.803 1.00 0.00 C ATOM 373 CD PRO A 23 8.072 -12.262 2.812 1.00 0.00 C ATOM 0 HA PRO A 23 7.338 -10.024 0.593 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.109 -11.145 1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.114 -12.082 0.732 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.150 -12.001 3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.245 -13.391 2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.477 -12.356 3.820 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.531 -13.046 2.210 1.00 0.00 H new ATOM 381 N ILE A 24 7.381 -8.022 2.307 1.00 0.00 N ATOM 382 CA ILE A 24 6.997 -6.728 2.917 1.00 0.00 C ATOM 383 C ILE A 24 7.766 -6.355 4.197 1.00 0.00 C ATOM 384 O ILE A 24 7.166 -6.172 5.256 1.00 0.00 O ATOM 385 CB ILE A 24 5.485 -6.655 3.195 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.715 -6.842 1.888 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.118 -5.335 3.851 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.206 -5.942 0.785 1.00 0.00 C ATOM 0 H ILE A 24 8.298 -8.005 1.861 1.00 0.00 H new ATOM 0 HA ILE A 24 7.278 -5.994 2.162 1.00 0.00 H new ATOM 0 HB ILE A 24 5.214 -7.454 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.800 -7.880 1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.657 -6.648 2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.044 -5.307 4.037 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.653 -5.237 4.796 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.393 -4.512 3.191 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.621 -6.120 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.096 -4.901 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.256 -6.152 0.584 1.00 0.00 H new ATOM 400 N ASN A 25 9.081 -6.202 4.086 1.00 0.00 N ATOM 401 CA ASN A 25 9.920 -5.810 5.230 1.00 0.00 C ATOM 402 C ASN A 25 9.582 -4.415 5.731 1.00 0.00 C ATOM 403 O ASN A 25 10.407 -3.506 5.643 1.00 0.00 O ATOM 404 CB ASN A 25 11.385 -5.837 4.835 1.00 0.00 C ATOM 405 CG ASN A 25 12.036 -7.166 5.133 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.624 -8.201 4.620 1.00 0.00 O ATOM 407 ND2 ASN A 25 13.062 -7.135 5.973 1.00 0.00 N ATOM 0 H ASN A 25 9.597 -6.342 3.217 1.00 0.00 H new ATOM 0 HA ASN A 25 9.725 -6.525 6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.476 -5.622 3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.917 -5.048 5.366 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.546 -7.998 6.219 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.367 -6.248 6.373 1.00 0.00 H new ATOM 414 N SER A 26 8.375 -4.233 6.245 1.00 0.00 N ATOM 415 CA SER A 26 7.964 -2.928 6.733 1.00 0.00 C ATOM 416 C SER A 26 8.071 -1.920 5.600 1.00 0.00 C ATOM 417 O SER A 26 8.829 -2.116 4.651 1.00 0.00 O ATOM 418 CB SER A 26 8.826 -2.481 7.916 1.00 0.00 C ATOM 419 OG SER A 26 10.131 -2.119 7.499 1.00 0.00 O ATOM 0 H SER A 26 7.670 -4.965 6.334 1.00 0.00 H new ATOM 0 HA SER A 26 6.933 -2.992 7.080 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.353 -1.634 8.413 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.887 -3.286 8.648 1.00 0.00 H new ATOM 0 HG SER A 26 10.260 -2.380 6.563 1.00 0.00 H new ATOM 425 N PRO A 27 7.307 -0.836 5.657 1.00 0.00 N ATOM 426 CA PRO A 27 7.334 0.163 4.605 1.00 0.00 C ATOM 427 C PRO A 27 8.743 0.593 4.239 1.00 0.00 C ATOM 428 O PRO A 27 9.016 0.899 3.090 1.00 0.00 O ATOM 429 CB PRO A 27 6.518 1.319 5.178 1.00 0.00 C ATOM 430 CG PRO A 27 5.598 0.672 6.160 1.00 0.00 C ATOM 431 CD PRO A 27 6.346 -0.505 6.720 1.00 0.00 C ATOM 0 HA PRO A 27 6.926 -0.220 3.670 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.159 2.057 5.660 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.964 1.840 4.397 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.320 1.369 6.951 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.675 0.353 5.677 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.850 -0.254 7.653 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.679 -1.340 6.933 1.00 0.00 H new ATOM 439 N GLU A 28 9.646 0.597 5.202 1.00 0.00 N ATOM 440 CA GLU A 28 11.021 0.979 4.921 1.00 0.00 C ATOM 441 C GLU A 28 11.572 0.160 3.752 1.00 0.00 C ATOM 442 O GLU A 28 12.008 0.703 2.733 1.00 0.00 O ATOM 443 CB GLU A 28 11.891 0.757 6.159 1.00 0.00 C ATOM 444 CG GLU A 28 11.371 1.462 7.401 1.00 0.00 C ATOM 445 CD GLU A 28 11.291 2.966 7.227 1.00 0.00 C ATOM 446 OE1 GLU A 28 12.341 3.591 6.970 1.00 0.00 O ATOM 447 OE2 GLU A 28 10.177 3.520 7.347 1.00 0.00 O ATOM 0 H GLU A 28 9.459 0.344 6.172 1.00 0.00 H new ATOM 0 HA GLU A 28 11.039 2.036 4.654 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.958 -0.312 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.902 1.106 5.950 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.382 1.075 7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.022 1.232 8.244 1.00 0.00 H new ATOM 454 N GLU A 29 11.545 -1.156 3.912 1.00 0.00 N ATOM 455 CA GLU A 29 12.046 -2.065 2.897 1.00 0.00 C ATOM 456 C GLU A 29 11.101 -2.231 1.721 1.00 0.00 C ATOM 457 O GLU A 29 11.485 -2.005 0.580 1.00 0.00 O ATOM 458 CB GLU A 29 12.236 -3.414 3.505 1.00 0.00 C ATOM 459 CG GLU A 29 12.926 -4.377 2.559 1.00 0.00 C ATOM 460 CD GLU A 29 14.284 -3.874 2.105 1.00 0.00 C ATOM 461 OE1 GLU A 29 14.787 -2.900 2.701 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.843 -4.449 1.147 1.00 0.00 O ATOM 0 H GLU A 29 11.178 -1.618 4.744 1.00 0.00 H new ATOM 0 HA GLU A 29 12.978 -1.635 2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.825 -3.320 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.266 -3.821 3.792 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.046 -5.342 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.293 -4.541 1.687 1.00 0.00 H new ATOM 469 N LEU A 30 9.872 -2.664 1.997 1.00 0.00 N ATOM 470 CA LEU A 30 8.901 -2.888 0.935 1.00 0.00 C ATOM 471 C LEU A 30 8.844 -1.656 0.039 1.00 0.00 C ATOM 472 O LEU A 30 8.837 -1.763 -1.191 1.00 0.00 O ATOM 473 CB LEU A 30 7.528 -3.191 1.537 1.00 0.00 C ATOM 474 CG LEU A 30 6.834 -1.996 2.187 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.082 -1.176 1.151 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.897 -2.449 3.291 1.00 0.00 C ATOM 0 H LEU A 30 9.530 -2.864 2.937 1.00 0.00 H new ATOM 0 HA LEU A 30 9.202 -3.746 0.334 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.882 -3.585 0.752 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.640 -3.978 2.283 1.00 0.00 H new ATOM 0 HG LEU A 30 7.603 -1.363 2.630 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.596 -0.331 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.781 -0.809 0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.328 -1.800 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.415 -1.580 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.138 -3.111 2.875 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.464 -2.982 4.054 1.00 0.00 H new ATOM 488 N MET A 31 8.869 -0.484 0.665 1.00 0.00 N ATOM 489 CA MET A 31 8.883 0.761 -0.080 1.00 0.00 C ATOM 490 C MET A 31 10.200 0.858 -0.831 1.00 0.00 C ATOM 491 O MET A 31 10.262 1.408 -1.930 1.00 0.00 O ATOM 492 CB MET A 31 8.727 1.966 0.847 1.00 0.00 C ATOM 493 CG MET A 31 8.533 3.282 0.116 1.00 0.00 C ATOM 494 SD MET A 31 8.556 4.698 1.230 1.00 0.00 S ATOM 495 CE MET A 31 7.292 4.229 2.409 1.00 0.00 C ATOM 0 H MET A 31 8.880 -0.374 1.679 1.00 0.00 H new ATOM 0 HA MET A 31 8.044 0.767 -0.775 1.00 0.00 H new ATOM 0 HB2 MET A 31 7.875 1.798 1.505 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.610 2.041 1.482 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.318 3.398 -0.631 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.584 3.260 -0.420 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.153 5.032 3.132 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.354 4.047 1.884 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.598 3.321 2.929 1.00 0.00 H new ATOM 505 N ALA A 32 11.259 0.298 -0.232 1.00 0.00 N ATOM 506 CA ALA A 32 12.569 0.311 -0.865 1.00 0.00 C ATOM 507 C ALA A 32 12.558 -0.540 -2.131 1.00 0.00 C ATOM 508 O ALA A 32 13.292 -0.273 -3.082 1.00 0.00 O ATOM 509 CB ALA A 32 13.632 -0.186 0.105 1.00 0.00 C ATOM 0 H ALA A 32 11.229 -0.162 0.678 1.00 0.00 H new ATOM 0 HA ALA A 32 12.809 1.337 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.606 -0.170 -0.384 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.655 0.461 0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.397 -1.205 0.412 1.00 0.00 H new ATOM 515 N ALA A 33 11.725 -1.578 -2.123 1.00 0.00 N ATOM 516 CA ALA A 33 11.612 -2.491 -3.250 1.00 0.00 C ATOM 517 C ALA A 33 10.951 -1.843 -4.457 1.00 0.00 C ATOM 518 O ALA A 33 11.361 -2.082 -5.592 1.00 0.00 O ATOM 519 CB ALA A 33 10.828 -3.717 -2.838 1.00 0.00 C ATOM 0 H ALA A 33 11.114 -1.806 -1.339 1.00 0.00 H new ATOM 0 HA ALA A 33 12.624 -2.772 -3.543 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.746 -4.398 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.341 -4.219 -2.018 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.831 -3.419 -2.514 1.00 0.00 H new ATOM 525 N LEU A 34 9.908 -1.049 -4.208 1.00 0.00 N ATOM 526 CA LEU A 34 9.164 -0.386 -5.286 1.00 0.00 C ATOM 527 C LEU A 34 10.048 -0.124 -6.514 1.00 0.00 C ATOM 528 O LEU A 34 11.137 0.438 -6.404 1.00 0.00 O ATOM 529 CB LEU A 34 8.524 0.913 -4.784 1.00 0.00 C ATOM 530 CG LEU A 34 7.185 0.726 -4.056 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.322 -0.286 -2.934 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.677 2.050 -3.509 1.00 0.00 C ATOM 0 H LEU A 34 9.558 -0.848 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 34 8.369 -1.063 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.222 1.410 -4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.371 1.579 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 34 6.460 0.350 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.362 -0.404 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.636 -1.245 -3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.066 0.063 -2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.727 1.892 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.404 2.456 -2.806 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.534 2.752 -4.330 1.00 0.00 H new ATOM 544 N PRO A 35 9.587 -0.569 -7.701 1.00 0.00 N ATOM 545 CA PRO A 35 10.329 -0.429 -8.966 1.00 0.00 C ATOM 546 C PRO A 35 10.762 1.000 -9.280 1.00 0.00 C ATOM 547 O PRO A 35 11.777 1.217 -9.943 1.00 0.00 O ATOM 548 CB PRO A 35 9.329 -0.906 -10.023 1.00 0.00 C ATOM 549 CG PRO A 35 8.387 -1.801 -9.297 1.00 0.00 C ATOM 550 CD PRO A 35 8.305 -1.277 -7.894 1.00 0.00 C ATOM 0 HA PRO A 35 11.260 -0.994 -8.926 1.00 0.00 H new ATOM 0 HB2 PRO A 35 8.803 -0.065 -10.475 1.00 0.00 H new ATOM 0 HB3 PRO A 35 9.833 -1.437 -10.830 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.405 -1.799 -9.771 1.00 0.00 H new ATOM 0 HG3 PRO A 35 8.743 -2.831 -9.307 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.456 -0.606 -7.768 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.183 -2.085 -7.173 1.00 0.00 H new ATOM 558 N ASN A 36 9.978 1.969 -8.834 1.00 0.00 N ATOM 559 CA ASN A 36 10.268 3.374 -9.105 1.00 0.00 C ATOM 560 C ASN A 36 11.462 3.891 -8.306 1.00 0.00 C ATOM 561 O ASN A 36 12.142 4.818 -8.742 1.00 0.00 O ATOM 562 CB ASN A 36 9.026 4.198 -8.766 1.00 0.00 C ATOM 563 CG ASN A 36 9.281 5.689 -8.690 1.00 0.00 C ATOM 564 OD1 ASN A 36 9.703 6.317 -9.661 1.00 0.00 O ATOM 565 ND2 ASN A 36 9.018 6.258 -7.518 1.00 0.00 N ATOM 0 H ASN A 36 9.135 1.811 -8.282 1.00 0.00 H new ATOM 0 HA ASN A 36 10.528 3.470 -10.159 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.260 4.008 -9.518 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.626 3.858 -7.810 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.165 7.260 -7.393 1.00 0.00 H new ATOM 0 HD22 ASN A 36 8.670 5.693 -6.744 1.00 0.00 H new ATOM 572 N GLY A 37 11.712 3.297 -7.149 1.00 0.00 N ATOM 573 CA GLY A 37 12.818 3.738 -6.316 1.00 0.00 C ATOM 574 C GLY A 37 12.348 4.637 -5.180 1.00 0.00 C ATOM 575 O GLY A 37 12.263 4.189 -4.037 1.00 0.00 O ATOM 0 H GLY A 37 11.172 2.519 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.331 2.869 -5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.542 4.275 -6.928 1.00 0.00 H new ATOM 579 N PRO A 38 12.010 5.914 -5.462 1.00 0.00 N ATOM 580 CA PRO A 38 11.525 6.841 -4.444 1.00 0.00 C ATOM 581 C PRO A 38 10.034 6.654 -4.176 1.00 0.00 C ATOM 582 O PRO A 38 9.255 7.604 -4.236 1.00 0.00 O ATOM 583 CB PRO A 38 11.800 8.209 -5.059 1.00 0.00 C ATOM 584 CG PRO A 38 11.681 7.992 -6.529 1.00 0.00 C ATOM 585 CD PRO A 38 12.052 6.549 -6.791 1.00 0.00 C ATOM 0 HA PRO A 38 12.009 6.695 -3.479 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.084 8.952 -4.709 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.792 8.572 -4.791 1.00 0.00 H new ATOM 0 HG2 PRO A 38 10.666 8.198 -6.869 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.342 8.666 -7.074 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.351 6.077 -7.479 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.042 6.468 -7.239 1.00 0.00 H new ATOM 593 N ASP A 39 9.658 5.411 -3.893 1.00 0.00 N ATOM 594 CA ASP A 39 8.288 5.036 -3.613 1.00 0.00 C ATOM 595 C ASP A 39 7.315 5.539 -4.668 1.00 0.00 C ATOM 596 O ASP A 39 6.828 6.668 -4.608 1.00 0.00 O ATOM 597 CB ASP A 39 7.867 5.490 -2.215 1.00 0.00 C ATOM 598 CG ASP A 39 7.798 6.998 -2.053 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.868 7.632 -1.962 1.00 0.00 O ATOM 600 OD2 ASP A 39 6.674 7.543 -2.022 1.00 0.00 O ATOM 0 H ASP A 39 10.311 4.628 -3.853 1.00 0.00 H new ATOM 0 HA ASP A 39 8.250 3.947 -3.646 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.890 5.065 -1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.570 5.088 -1.486 1.00 0.00 H new ATOM 605 N THR A 40 7.030 4.663 -5.624 1.00 0.00 N ATOM 606 CA THR A 40 6.102 4.964 -6.707 1.00 0.00 C ATOM 607 C THR A 40 4.723 5.314 -6.168 1.00 0.00 C ATOM 608 O THR A 40 4.208 4.647 -5.272 1.00 0.00 O ATOM 609 CB THR A 40 5.953 3.770 -7.667 1.00 0.00 C ATOM 610 OG1 THR A 40 4.914 4.030 -8.618 1.00 0.00 O ATOM 611 CG2 THR A 40 5.640 2.492 -6.900 1.00 0.00 C ATOM 0 H THR A 40 7.434 3.728 -5.670 1.00 0.00 H new ATOM 0 HA THR A 40 6.518 5.817 -7.244 1.00 0.00 H new ATOM 0 HB THR A 40 6.899 3.636 -8.192 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.828 3.266 -9.225 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.539 1.663 -7.600 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.449 2.280 -6.201 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.708 2.617 -6.349 1.00 0.00 H new ATOM 619 N THR A 41 4.122 6.356 -6.726 1.00 0.00 N ATOM 620 CA THR A 41 2.796 6.778 -6.306 1.00 0.00 C ATOM 621 C THR A 41 1.742 6.330 -7.313 1.00 0.00 C ATOM 622 O THR A 41 1.448 7.042 -8.273 1.00 0.00 O ATOM 623 CB THR A 41 2.716 8.305 -6.136 1.00 0.00 C ATOM 624 OG1 THR A 41 3.771 8.760 -5.281 1.00 0.00 O ATOM 625 CG2 THR A 41 1.376 8.708 -5.543 1.00 0.00 C ATOM 0 H THR A 41 4.532 6.922 -7.469 1.00 0.00 H new ATOM 0 HA THR A 41 2.602 6.308 -5.342 1.00 0.00 H new ATOM 0 HB THR A 41 2.820 8.764 -7.119 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.952 9.707 -5.460 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.339 9.792 -5.431 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.573 8.384 -6.205 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.254 8.238 -4.567 1.00 0.00 H new ATOM 633 N CYS A 42 1.178 5.146 -7.090 1.00 0.00 N ATOM 634 CA CYS A 42 0.155 4.602 -7.978 1.00 0.00 C ATOM 635 C CYS A 42 -1.151 5.386 -7.851 1.00 0.00 C ATOM 636 O CYS A 42 -2.196 4.823 -7.527 1.00 0.00 O ATOM 637 CB CYS A 42 -0.083 3.120 -7.663 1.00 0.00 C ATOM 638 SG CYS A 42 1.414 2.108 -7.726 1.00 0.00 S ATOM 0 H CYS A 42 1.413 4.544 -6.301 1.00 0.00 H new ATOM 0 HA CYS A 42 0.509 4.694 -9.005 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.525 3.036 -6.670 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.810 2.721 -8.370 1.00 0.00 H new ATOM 0 HG CYS A 42 1.224 1.010 -7.056 1.00 0.00 H new ATOM 644 N LYS A 43 -1.082 6.692 -8.104 1.00 0.00 N ATOM 645 CA LYS A 43 -2.252 7.555 -8.011 1.00 0.00 C ATOM 646 C LYS A 43 -3.175 7.364 -9.211 1.00 0.00 C ATOM 647 O LYS A 43 -2.734 7.400 -10.361 1.00 0.00 O ATOM 648 CB LYS A 43 -1.821 9.022 -7.908 1.00 0.00 C ATOM 649 CG LYS A 43 -0.967 9.490 -9.076 1.00 0.00 C ATOM 650 CD LYS A 43 -0.578 10.952 -8.932 1.00 0.00 C ATOM 651 CE LYS A 43 0.289 11.415 -10.092 1.00 0.00 C ATOM 652 NZ LYS A 43 -0.405 11.265 -11.401 1.00 0.00 N ATOM 0 H LYS A 43 -0.225 7.174 -8.375 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.803 7.280 -7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.710 9.649 -7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.264 9.164 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -0.067 8.878 -9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.514 9.348 -10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.477 11.566 -8.881 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.041 11.096 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.564 12.459 -9.945 1.00 0.00 H new ATOM 0 HE3 LYS A 43 1.215 10.840 -10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.118 11.786 -12.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.449 10.258 -11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.370 11.646 -11.328 1.00 0.00 H new ATOM 666 N SER A 44 -4.459 7.158 -8.932 1.00 0.00 N ATOM 667 CA SER A 44 -5.453 6.959 -9.981 1.00 0.00 C ATOM 668 C SER A 44 -5.925 8.288 -10.564 1.00 0.00 C ATOM 669 O SER A 44 -6.919 8.854 -10.112 1.00 0.00 O ATOM 670 CB SER A 44 -6.651 6.182 -9.430 1.00 0.00 C ATOM 671 OG SER A 44 -7.181 6.811 -8.277 1.00 0.00 O ATOM 0 H SER A 44 -4.836 7.125 -7.985 1.00 0.00 H new ATOM 0 HA SER A 44 -4.982 6.386 -10.780 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.424 6.108 -10.195 1.00 0.00 H new ATOM 0 HB3 SER A 44 -6.347 5.164 -9.185 1.00 0.00 H new ATOM 0 HG SER A 44 -7.389 7.747 -8.481 1.00 0.00 H new ATOM 677 N GLY A 45 -5.210 8.775 -11.573 1.00 0.00 N ATOM 678 CA GLY A 45 -5.572 10.032 -12.210 1.00 0.00 C ATOM 679 C GLY A 45 -5.376 11.237 -11.307 1.00 0.00 C ATOM 680 O GLY A 45 -4.639 12.161 -11.650 1.00 0.00 O ATOM 0 H GLY A 45 -4.384 8.322 -11.963 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.974 10.161 -13.112 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -6.615 9.986 -12.523 1.00 0.00 H new ATOM 684 N ASP A 46 -6.034 11.231 -10.151 1.00 0.00 N ATOM 685 CA ASP A 46 -5.924 12.333 -9.203 1.00 0.00 C ATOM 686 C ASP A 46 -5.633 11.807 -7.801 1.00 0.00 C ATOM 687 O ASP A 46 -4.750 12.311 -7.111 1.00 0.00 O ATOM 688 CB ASP A 46 -7.213 13.158 -9.197 1.00 0.00 C ATOM 689 CG ASP A 46 -7.140 14.340 -8.249 1.00 0.00 C ATOM 690 OD1 ASP A 46 -6.257 15.201 -8.441 1.00 0.00 O ATOM 691 OD2 ASP A 46 -7.968 14.403 -7.316 1.00 0.00 O ATOM 0 H ASP A 46 -6.649 10.475 -9.849 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.097 12.972 -9.513 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.416 13.517 -10.206 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.049 12.519 -8.912 1.00 0.00 H new ATOM 696 N VAL A 47 -6.375 10.784 -7.391 1.00 0.00 N ATOM 697 CA VAL A 47 -6.190 10.185 -6.075 1.00 0.00 C ATOM 698 C VAL A 47 -4.834 9.491 -5.989 1.00 0.00 C ATOM 699 O VAL A 47 -4.474 8.714 -6.873 1.00 0.00 O ATOM 700 CB VAL A 47 -7.306 9.165 -5.771 1.00 0.00 C ATOM 701 CG1 VAL A 47 -7.162 8.612 -4.361 1.00 0.00 C ATOM 702 CG2 VAL A 47 -8.675 9.798 -5.963 1.00 0.00 C ATOM 0 H VAL A 47 -7.110 10.353 -7.951 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.233 10.986 -5.337 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.211 8.336 -6.472 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.960 7.895 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -6.196 8.116 -4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.227 9.428 -3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.450 9.063 -5.744 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.780 10.648 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.778 10.137 -6.994 1.00 0.00 H new ATOM 712 N GLU A 48 -4.077 9.775 -4.929 1.00 0.00 N ATOM 713 CA GLU A 48 -2.760 9.168 -4.761 1.00 0.00 C ATOM 714 C GLU A 48 -2.716 8.255 -3.540 1.00 0.00 C ATOM 715 O GLU A 48 -3.172 8.623 -2.458 1.00 0.00 O ATOM 716 CB GLU A 48 -1.673 10.240 -4.631 1.00 0.00 C ATOM 717 CG GLU A 48 -1.860 11.438 -5.548 1.00 0.00 C ATOM 718 CD GLU A 48 -2.936 12.391 -5.062 1.00 0.00 C ATOM 719 OE1 GLU A 48 -3.567 12.097 -4.025 1.00 0.00 O ATOM 720 OE2 GLU A 48 -3.141 13.435 -5.715 1.00 0.00 O ATOM 0 H GLU A 48 -4.350 10.414 -4.183 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.570 8.570 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.645 10.589 -3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.705 9.785 -4.840 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.916 11.976 -5.632 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.117 11.087 -6.548 1.00 0.00 H new ATOM 727 N LEU A 49 -2.149 7.065 -3.725 1.00 0.00 N ATOM 728 CA LEU A 49 -2.024 6.089 -2.646 1.00 0.00 C ATOM 729 C LEU A 49 -0.721 5.307 -2.776 1.00 0.00 C ATOM 730 O LEU A 49 -0.359 4.862 -3.866 1.00 0.00 O ATOM 731 CB LEU A 49 -3.202 5.107 -2.651 1.00 0.00 C ATOM 732 CG LEU A 49 -4.549 5.673 -2.194 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.420 6.329 -0.826 1.00 0.00 C ATOM 734 CD2 LEU A 49 -5.107 6.648 -3.221 1.00 0.00 C ATOM 0 H LEU A 49 -1.767 6.753 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.025 6.640 -1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.319 4.716 -3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.948 4.263 -2.010 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.254 4.846 -2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.388 6.725 -0.520 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.083 5.590 -0.099 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.696 7.142 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.064 7.036 -2.872 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.408 7.474 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.248 6.134 -4.172 1.00 0.00 H new ATOM 746 N LYS A 50 -0.027 5.135 -1.657 1.00 0.00 N ATOM 747 CA LYS A 50 1.229 4.396 -1.643 1.00 0.00 C ATOM 748 C LYS A 50 1.713 4.170 -0.216 1.00 0.00 C ATOM 749 O LYS A 50 1.029 4.515 0.745 1.00 0.00 O ATOM 750 CB LYS A 50 2.299 5.124 -2.460 1.00 0.00 C ATOM 751 CG LYS A 50 2.548 6.557 -2.020 1.00 0.00 C ATOM 752 CD LYS A 50 3.719 7.171 -2.772 1.00 0.00 C ATOM 753 CE LYS A 50 3.886 8.645 -2.440 1.00 0.00 C ATOM 754 NZ LYS A 50 5.079 9.234 -3.110 1.00 0.00 N ATOM 0 H LYS A 50 -0.313 5.497 -0.748 1.00 0.00 H new ATOM 0 HA LYS A 50 1.048 3.424 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.234 4.567 -2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.003 5.124 -3.509 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.651 7.153 -2.190 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.748 6.581 -0.949 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.634 6.635 -2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.565 7.054 -3.845 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.992 9.189 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.979 8.766 -1.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 5.167 10.236 -2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.933 8.721 -2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.971 9.158 -4.142 1.00 0.00 H new ATOM 768 N ALA A 51 2.890 3.571 -0.087 1.00 0.00 N ATOM 769 CA ALA A 51 3.463 3.276 1.221 1.00 0.00 C ATOM 770 C ALA A 51 3.835 4.544 1.985 1.00 0.00 C ATOM 771 O ALA A 51 3.619 4.638 3.191 1.00 0.00 O ATOM 772 CB ALA A 51 4.679 2.375 1.066 1.00 0.00 C ATOM 0 H ALA A 51 3.468 3.279 -0.875 1.00 0.00 H new ATOM 0 HA ALA A 51 2.701 2.759 1.805 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.100 2.160 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.382 1.442 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.427 2.876 0.452 1.00 0.00 H new ATOM 778 N SER A 52 4.414 5.513 1.291 1.00 0.00 N ATOM 779 CA SER A 52 4.827 6.756 1.931 1.00 0.00 C ATOM 780 C SER A 52 3.636 7.540 2.485 1.00 0.00 C ATOM 781 O SER A 52 3.601 7.868 3.671 1.00 0.00 O ATOM 782 CB SER A 52 5.612 7.619 0.943 1.00 0.00 C ATOM 783 OG SER A 52 6.009 8.843 1.537 1.00 0.00 O ATOM 0 H SER A 52 4.608 5.465 0.291 1.00 0.00 H new ATOM 0 HA SER A 52 5.466 6.494 2.774 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.492 7.075 0.600 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.999 7.820 0.064 1.00 0.00 H new ATOM 0 HG SER A 52 6.510 9.376 0.885 1.00 0.00 H new ATOM 789 N ASP A 53 2.670 7.848 1.625 1.00 0.00 N ATOM 790 CA ASP A 53 1.492 8.608 2.041 1.00 0.00 C ATOM 791 C ASP A 53 0.545 7.779 2.909 1.00 0.00 C ATOM 792 O ASP A 53 0.039 8.265 3.918 1.00 0.00 O ATOM 793 CB ASP A 53 0.740 9.139 0.820 1.00 0.00 C ATOM 794 CG ASP A 53 1.545 10.168 0.049 1.00 0.00 C ATOM 795 OD1 ASP A 53 1.922 11.196 0.649 1.00 0.00 O ATOM 796 OD2 ASP A 53 1.794 9.946 -1.153 1.00 0.00 O ATOM 0 H ASP A 53 2.678 7.585 0.639 1.00 0.00 H new ATOM 0 HA ASP A 53 1.849 9.443 2.643 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.491 8.308 0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.201 9.584 1.142 1.00 0.00 H new ATOM 801 N ALA A 54 0.286 6.541 2.500 1.00 0.00 N ATOM 802 CA ALA A 54 -0.626 5.670 3.239 1.00 0.00 C ATOM 803 C ALA A 54 0.092 4.837 4.299 1.00 0.00 C ATOM 804 O ALA A 54 -0.339 4.785 5.451 1.00 0.00 O ATOM 805 CB ALA A 54 -1.374 4.761 2.276 1.00 0.00 C ATOM 0 H ALA A 54 0.692 6.118 1.665 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.334 6.313 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.051 4.116 2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.948 5.367 1.575 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.660 4.148 1.726 1.00 0.00 H new ATOM 811 N GLY A 55 1.177 4.174 3.904 1.00 0.00 N ATOM 812 CA GLY A 55 1.926 3.335 4.834 1.00 0.00 C ATOM 813 C GLY A 55 2.164 3.990 6.184 1.00 0.00 C ATOM 814 O GLY A 55 2.288 3.303 7.198 1.00 0.00 O ATOM 0 H GLY A 55 1.553 4.201 2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.386 2.400 4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.887 3.081 4.388 1.00 0.00 H new ATOM 818 N GLN A 56 2.228 5.319 6.198 1.00 0.00 N ATOM 819 CA GLN A 56 2.453 6.074 7.433 1.00 0.00 C ATOM 820 C GLN A 56 1.629 5.520 8.591 1.00 0.00 C ATOM 821 O GLN A 56 2.066 5.526 9.742 1.00 0.00 O ATOM 822 CB GLN A 56 2.086 7.542 7.223 1.00 0.00 C ATOM 823 CG GLN A 56 0.689 7.741 6.661 1.00 0.00 C ATOM 824 CD GLN A 56 0.350 9.204 6.448 1.00 0.00 C ATOM 825 OE1 GLN A 56 1.022 9.904 5.691 1.00 0.00 O ATOM 826 NE2 GLN A 56 -0.696 9.672 7.117 1.00 0.00 N ATOM 0 H GLN A 56 2.127 5.900 5.365 1.00 0.00 H new ATOM 0 HA GLN A 56 3.510 5.981 7.683 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.165 8.068 8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.810 7.996 6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.604 7.210 5.713 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.039 7.298 7.341 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.224 9.055 7.734 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.972 10.649 7.014 1.00 0.00 H new ATOM 835 N VAL A 57 0.429 5.061 8.274 1.00 0.00 N ATOM 836 CA VAL A 57 -0.481 4.522 9.273 1.00 0.00 C ATOM 837 C VAL A 57 0.058 3.239 9.902 1.00 0.00 C ATOM 838 O VAL A 57 -0.179 2.972 11.080 1.00 0.00 O ATOM 839 CB VAL A 57 -1.862 4.259 8.648 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.412 5.549 8.058 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.770 3.173 7.587 1.00 0.00 C ATOM 0 H VAL A 57 0.060 5.051 7.323 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.575 5.266 10.064 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.544 3.911 9.424 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.390 5.359 7.616 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.508 6.297 8.845 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.732 5.917 7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.756 3.001 7.156 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.081 3.488 6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.406 2.251 8.041 1.00 0.00 H new ATOM 851 N LEU A 58 0.782 2.446 9.117 1.00 0.00 N ATOM 852 CA LEU A 58 1.345 1.197 9.617 1.00 0.00 C ATOM 853 C LEU A 58 2.365 1.470 10.721 1.00 0.00 C ATOM 854 O LEU A 58 3.324 2.216 10.522 1.00 0.00 O ATOM 855 CB LEU A 58 2.004 0.415 8.477 1.00 0.00 C ATOM 856 CG LEU A 58 1.143 0.253 7.222 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.875 -0.571 6.173 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.198 -0.383 7.569 1.00 0.00 C ATOM 0 H LEU A 58 0.991 2.645 8.139 1.00 0.00 H new ATOM 0 HA LEU A 58 0.534 0.599 10.032 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.931 0.917 8.201 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.274 -0.575 8.844 1.00 0.00 H new ATOM 0 HG LEU A 58 0.953 1.243 6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.247 -0.675 5.288 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.805 -0.071 5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.099 -1.558 6.577 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.795 -0.490 6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.031 -1.365 8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.728 0.250 8.281 1.00 0.00 H new ATOM 870 N THR A 59 2.150 0.863 11.885 1.00 0.00 N ATOM 871 CA THR A 59 3.050 1.042 13.022 1.00 0.00 C ATOM 872 C THR A 59 4.347 0.261 12.835 1.00 0.00 C ATOM 873 O THR A 59 4.390 -0.725 12.098 1.00 0.00 O ATOM 874 CB THR A 59 2.385 0.607 14.342 1.00 0.00 C ATOM 875 OG1 THR A 59 2.027 -0.777 14.281 1.00 0.00 O ATOM 876 CG2 THR A 59 1.145 1.443 14.624 1.00 0.00 C ATOM 0 H THR A 59 1.361 0.243 12.066 1.00 0.00 H new ATOM 0 HA THR A 59 3.279 2.106 13.073 1.00 0.00 H new ATOM 0 HB THR A 59 3.101 0.760 15.149 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.634 -1.245 13.671 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.692 1.118 15.561 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.424 2.494 14.701 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.429 1.317 13.812 1.00 0.00 H new ATOM 884 N ALA A 60 5.405 0.710 13.508 1.00 0.00 N ATOM 885 CA ALA A 60 6.709 0.058 13.419 1.00 0.00 C ATOM 886 C ALA A 60 6.600 -1.444 13.676 1.00 0.00 C ATOM 887 O ALA A 60 7.232 -2.246 12.994 1.00 0.00 O ATOM 888 CB ALA A 60 7.682 0.692 14.401 1.00 0.00 C ATOM 0 H ALA A 60 5.384 1.524 14.122 1.00 0.00 H new ATOM 0 HA ALA A 60 7.085 0.197 12.405 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.650 0.197 14.325 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.796 1.751 14.168 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.298 0.583 15.415 1.00 0.00 H new ATOM 894 N ASP A 61 5.792 -1.816 14.661 1.00 0.00 N ATOM 895 CA ASP A 61 5.599 -3.223 14.999 1.00 0.00 C ATOM 896 C ASP A 61 5.099 -4.015 13.791 1.00 0.00 C ATOM 897 O ASP A 61 5.238 -5.236 13.736 1.00 0.00 O ATOM 898 CB ASP A 61 4.607 -3.358 16.156 1.00 0.00 C ATOM 899 CG ASP A 61 5.073 -2.640 17.408 1.00 0.00 C ATOM 900 OD1 ASP A 61 6.165 -2.037 17.374 1.00 0.00 O ATOM 901 OD2 ASP A 61 4.345 -2.681 18.424 1.00 0.00 O ATOM 0 H ASP A 61 5.260 -1.166 15.239 1.00 0.00 H new ATOM 0 HA ASP A 61 6.563 -3.632 15.303 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.640 -2.958 15.850 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.458 -4.414 16.381 1.00 0.00 H new ATOM 906 N ASP A 62 4.505 -3.308 12.831 1.00 0.00 N ATOM 907 CA ASP A 62 3.966 -3.934 11.626 1.00 0.00 C ATOM 908 C ASP A 62 5.055 -4.479 10.703 1.00 0.00 C ATOM 909 O ASP A 62 4.744 -4.965 9.615 1.00 0.00 O ATOM 910 CB ASP A 62 3.122 -2.931 10.846 1.00 0.00 C ATOM 911 CG ASP A 62 2.003 -2.337 11.680 1.00 0.00 C ATOM 912 OD1 ASP A 62 1.857 -2.742 12.852 1.00 0.00 O ATOM 913 OD2 ASP A 62 1.279 -1.459 11.164 1.00 0.00 O ATOM 0 H ASP A 62 4.385 -2.296 12.866 1.00 0.00 H new ATOM 0 HA ASP A 62 3.357 -4.774 11.961 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.763 -2.129 10.481 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.697 -3.422 9.971 1.00 0.00 H new ATOM 918 N PHE A 63 6.322 -4.393 11.109 1.00 0.00 N ATOM 919 CA PHE A 63 7.415 -4.881 10.268 1.00 0.00 C ATOM 920 C PHE A 63 7.058 -6.212 9.609 1.00 0.00 C ATOM 921 O PHE A 63 6.895 -6.275 8.394 1.00 0.00 O ATOM 922 CB PHE A 63 8.707 -5.025 11.076 1.00 0.00 C ATOM 923 CG PHE A 63 9.695 -3.921 10.839 1.00 0.00 C ATOM 924 CD1 PHE A 63 9.315 -2.594 10.940 1.00 0.00 C ATOM 925 CD2 PHE A 63 11.008 -4.215 10.512 1.00 0.00 C ATOM 926 CE1 PHE A 63 10.227 -1.579 10.722 1.00 0.00 C ATOM 927 CE2 PHE A 63 11.924 -3.206 10.291 1.00 0.00 C ATOM 928 CZ PHE A 63 11.534 -1.885 10.397 1.00 0.00 C ATOM 0 H PHE A 63 6.614 -3.996 12.002 1.00 0.00 H new ATOM 0 HA PHE A 63 7.575 -4.142 9.483 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.459 -5.057 12.137 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.175 -5.978 10.829 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.294 -2.349 11.192 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.319 -5.246 10.429 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.918 -0.548 10.806 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.945 -3.449 10.035 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.249 -1.094 10.226 1.00 0.00 H new ATOM 938 N PRO A 64 6.908 -7.288 10.399 1.00 0.00 N ATOM 939 CA PRO A 64 6.553 -8.607 9.868 1.00 0.00 C ATOM 940 C PRO A 64 5.120 -8.649 9.350 1.00 0.00 C ATOM 941 O PRO A 64 4.231 -9.210 9.992 1.00 0.00 O ATOM 942 CB PRO A 64 6.726 -9.535 11.069 1.00 0.00 C ATOM 943 CG PRO A 64 6.522 -8.657 12.255 1.00 0.00 C ATOM 944 CD PRO A 64 7.056 -7.306 11.867 1.00 0.00 C ATOM 0 HA PRO A 64 7.170 -8.887 9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.001 -10.349 11.049 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.716 -9.990 11.079 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.466 -8.598 12.520 1.00 0.00 H new ATOM 0 HG3 PRO A 64 7.048 -9.049 13.126 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.492 -6.501 12.338 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.097 -7.184 12.167 1.00 0.00 H new ATOM 952 N PHE A 65 4.906 -8.045 8.188 1.00 0.00 N ATOM 953 CA PHE A 65 3.583 -8.002 7.576 1.00 0.00 C ATOM 954 C PHE A 65 3.232 -9.335 6.927 1.00 0.00 C ATOM 955 O PHE A 65 4.087 -9.996 6.336 1.00 0.00 O ATOM 956 CB PHE A 65 3.524 -6.905 6.513 1.00 0.00 C ATOM 957 CG PHE A 65 2.665 -5.728 6.885 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.295 -5.809 6.747 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.218 -4.548 7.359 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.482 -4.747 7.071 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.409 -3.476 7.685 1.00 0.00 C ATOM 962 CZ PHE A 65 1.037 -3.576 7.541 1.00 0.00 C ATOM 0 H PHE A 65 5.634 -7.577 7.649 1.00 0.00 H new ATOM 0 HA PHE A 65 2.863 -7.791 8.367 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.536 -6.553 6.315 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.148 -7.335 5.584 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.852 -6.722 6.378 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.289 -4.466 7.474 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.589 -4.831 6.957 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.848 -2.560 8.052 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.403 -2.740 7.796 1.00 0.00 H new ATOM 972 N LYS A 66 1.962 -9.714 7.027 1.00 0.00 N ATOM 973 CA LYS A 66 1.482 -10.956 6.435 1.00 0.00 C ATOM 974 C LYS A 66 1.510 -10.868 4.911 1.00 0.00 C ATOM 975 O LYS A 66 0.468 -10.796 4.249 1.00 0.00 O ATOM 976 CB LYS A 66 0.071 -11.277 6.921 1.00 0.00 C ATOM 977 CG LYS A 66 -0.010 -11.561 8.413 1.00 0.00 C ATOM 978 CD LYS A 66 0.840 -12.760 8.803 1.00 0.00 C ATOM 979 CE LYS A 66 0.389 -14.023 8.087 1.00 0.00 C ATOM 980 NZ LYS A 66 -1.034 -14.350 8.381 1.00 0.00 N ATOM 0 H LYS A 66 1.245 -9.176 7.514 1.00 0.00 H new ATOM 0 HA LYS A 66 2.146 -11.761 6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.585 -10.440 6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.304 -12.142 6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.321 -10.684 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.047 -11.744 8.693 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.884 -12.559 8.564 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.783 -12.912 9.881 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.518 -13.897 7.012 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.023 -14.857 8.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.245 -15.312 8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.198 -14.296 9.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.654 -13.671 7.895 1.00 0.00 H new ATOM 994 N SER A 67 2.719 -10.869 4.368 1.00 0.00 N ATOM 995 CA SER A 67 2.919 -10.797 2.931 1.00 0.00 C ATOM 996 C SER A 67 2.293 -9.541 2.330 1.00 0.00 C ATOM 997 O SER A 67 1.424 -8.905 2.930 1.00 0.00 O ATOM 998 CB SER A 67 2.360 -12.047 2.255 1.00 0.00 C ATOM 999 OG SER A 67 2.966 -13.219 2.771 1.00 0.00 O ATOM 0 H SER A 67 3.583 -10.919 4.908 1.00 0.00 H new ATOM 0 HA SER A 67 3.993 -10.744 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.282 -12.095 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.529 -11.989 1.180 1.00 0.00 H new ATOM 0 HG SER A 67 2.590 -14.006 2.324 1.00 0.00 H new ATOM 1005 N ALA A 68 2.757 -9.193 1.133 1.00 0.00 N ATOM 1006 CA ALA A 68 2.276 -8.019 0.415 1.00 0.00 C ATOM 1007 C ALA A 68 0.758 -8.001 0.314 1.00 0.00 C ATOM 1008 O ALA A 68 0.147 -6.937 0.215 1.00 0.00 O ATOM 1009 CB ALA A 68 2.908 -7.970 -0.967 1.00 0.00 C ATOM 0 H ALA A 68 3.476 -9.717 0.635 1.00 0.00 H new ATOM 0 HA ALA A 68 2.570 -7.133 0.977 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.547 -7.091 -1.501 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.992 -7.915 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.639 -8.869 -1.522 1.00 0.00 H new ATOM 1015 N GLU A 69 0.151 -9.178 0.336 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.297 -9.279 0.243 1.00 0.00 C ATOM 1017 C GLU A 69 -1.986 -8.522 1.378 1.00 0.00 C ATOM 1018 O GLU A 69 -2.918 -7.750 1.132 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.733 -10.742 0.246 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.260 -11.503 1.459 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.600 -12.979 1.396 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -1.139 -13.654 0.451 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -2.325 -13.460 2.292 1.00 0.00 O ATOM 0 H GLU A 69 0.636 -10.072 0.417 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.599 -8.821 -0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.821 -10.790 0.197 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.352 -11.229 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.181 -11.387 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.709 -11.069 2.352 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.545 -8.733 2.625 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.174 -8.042 3.740 1.00 0.00 C ATOM 1032 C GLU A 70 -1.775 -6.575 3.769 1.00 0.00 C ATOM 1033 O GLU A 70 -2.577 -5.716 4.116 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.893 -8.732 5.082 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.636 -8.263 5.785 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.854 -8.077 7.277 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.723 -7.267 7.657 1.00 0.00 O ATOM 1038 OE2 GLU A 70 -0.154 -8.748 8.065 1.00 0.00 O ATOM 0 H GLU A 70 -0.779 -9.358 2.876 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.252 -8.091 3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.744 -8.570 5.743 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.819 -9.806 4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.162 -8.988 5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.305 -7.321 5.347 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.539 -6.288 3.391 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.059 -4.914 3.367 1.00 0.00 C ATOM 1047 C VAL A 71 -0.867 -4.087 2.381 1.00 0.00 C ATOM 1048 O VAL A 71 -1.141 -2.911 2.615 1.00 0.00 O ATOM 1049 CB VAL A 71 1.424 -4.853 2.992 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.936 -3.420 3.029 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.221 -5.742 3.926 1.00 0.00 C ATOM 0 H VAL A 71 0.147 -6.984 3.098 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.181 -4.503 4.369 1.00 0.00 H new ATOM 0 HB VAL A 71 1.547 -5.216 1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.992 -3.404 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.371 -2.813 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.812 -3.015 4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.277 -5.698 3.658 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.093 -5.399 4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.868 -6.770 3.840 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.245 -4.711 1.275 1.00 0.00 N ATOM 1062 CA ALA A 72 -2.020 -4.033 0.252 1.00 0.00 C ATOM 1063 C ALA A 72 -3.411 -3.665 0.764 1.00 0.00 C ATOM 1064 O ALA A 72 -3.798 -2.497 0.755 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.129 -4.906 -0.990 1.00 0.00 C ATOM 0 H ALA A 72 -1.027 -5.685 1.065 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.502 -3.109 -0.007 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.713 -4.386 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.132 -5.114 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.621 -5.844 -0.733 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.161 -4.672 1.207 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.515 -4.453 1.716 1.00 0.00 C ATOM 1073 C ASP A 73 -5.508 -3.588 2.976 1.00 0.00 C ATOM 1074 O ASP A 73 -6.346 -2.703 3.141 1.00 0.00 O ATOM 1075 CB ASP A 73 -6.188 -5.795 2.014 1.00 0.00 C ATOM 1076 CG ASP A 73 -6.297 -6.673 0.784 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -5.245 -7.012 0.202 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -7.434 -7.022 0.403 1.00 0.00 O ATOM 0 H ASP A 73 -3.856 -5.645 1.224 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.077 -3.925 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.621 -6.320 2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -7.184 -5.617 2.419 1.00 0.00 H new ATOM 1083 N THR A 74 -4.562 -3.861 3.862 1.00 0.00 N ATOM 1084 CA THR A 74 -4.436 -3.127 5.119 1.00 0.00 C ATOM 1085 C THR A 74 -4.324 -1.620 4.892 1.00 0.00 C ATOM 1086 O THR A 74 -5.011 -0.833 5.545 1.00 0.00 O ATOM 1087 CB THR A 74 -3.205 -3.620 5.911 1.00 0.00 C ATOM 1088 OG1 THR A 74 -3.383 -4.991 6.286 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.967 -2.783 7.159 1.00 0.00 C ATOM 0 H THR A 74 -3.862 -4.592 3.734 1.00 0.00 H new ATOM 0 HA THR A 74 -5.343 -3.317 5.693 1.00 0.00 H new ATOM 0 HB THR A 74 -2.334 -3.520 5.263 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.495 -5.538 5.481 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.093 -3.161 7.689 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.798 -1.745 6.874 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.840 -2.843 7.809 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.447 -1.222 3.978 1.00 0.00 N ATOM 1098 CA ILE A 75 -3.238 0.191 3.686 1.00 0.00 C ATOM 1099 C ILE A 75 -4.488 0.848 3.096 1.00 0.00 C ATOM 1100 O ILE A 75 -4.921 1.896 3.573 1.00 0.00 O ATOM 1101 CB ILE A 75 -2.035 0.388 2.742 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.754 -0.087 3.431 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.907 1.847 2.328 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.474 -0.023 2.550 1.00 0.00 C ATOM 0 H ILE A 75 -2.870 -1.857 3.427 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.024 0.682 4.635 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.196 -0.205 1.842 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.584 0.521 4.320 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.894 -1.114 3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.052 1.963 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.814 2.159 1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.763 2.465 3.214 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.341 -0.376 3.108 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.326 -0.654 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.641 1.006 2.233 1.00 0.00 H new ATOM 1116 N VAL A 76 -5.071 0.240 2.065 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.273 0.802 1.443 1.00 0.00 C ATOM 1118 C VAL A 76 -7.350 1.100 2.483 1.00 0.00 C ATOM 1119 O VAL A 76 -8.053 2.105 2.388 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.870 -0.106 0.340 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -6.187 0.151 -0.993 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.768 -1.579 0.711 1.00 0.00 C ATOM 0 H VAL A 76 -4.739 -0.629 1.646 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.949 1.730 0.972 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.927 0.142 0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.621 -0.497 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.328 1.193 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.121 -0.059 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.197 -2.186 -0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.721 -1.848 0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.313 -1.759 1.637 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.477 0.228 3.479 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.470 0.416 4.531 1.00 0.00 C ATOM 1134 C ASN A 77 -8.182 1.677 5.343 1.00 0.00 C ATOM 1135 O ASN A 77 -9.059 2.519 5.533 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.507 -0.798 5.461 1.00 0.00 C ATOM 1137 CG ASN A 77 -8.979 -2.057 4.758 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -10.056 -2.082 4.164 1.00 0.00 O ATOM 1139 ND2 ASN A 77 -8.178 -3.113 4.835 1.00 0.00 N ATOM 0 H ASN A 77 -6.907 -0.612 3.579 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.442 0.527 4.050 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.512 -0.967 5.872 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.167 -0.587 6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.447 -3.991 4.391 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.293 -3.046 5.338 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.949 1.794 5.827 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.543 2.944 6.627 1.00 0.00 C ATOM 1148 C LYS A 78 -6.442 4.210 5.783 1.00 0.00 C ATOM 1149 O LYS A 78 -6.847 5.289 6.214 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.198 2.661 7.295 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.228 1.464 8.231 1.00 0.00 C ATOM 1152 CD LYS A 78 -3.873 1.225 8.874 1.00 0.00 C ATOM 1153 CE LYS A 78 -3.937 0.113 9.910 1.00 0.00 C ATOM 1154 NZ LYS A 78 -4.387 -1.177 9.317 1.00 0.00 N ATOM 0 H LYS A 78 -6.212 1.104 5.678 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.307 3.108 7.387 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.447 2.491 6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.886 3.543 7.855 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.976 1.626 9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.531 0.575 7.677 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.145 0.966 8.105 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.526 2.144 9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.954 -0.019 10.361 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.619 0.402 10.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.348 -1.395 9.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.388 -1.101 8.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.740 -1.937 9.608 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.881 4.075 4.588 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.705 5.215 3.693 1.00 0.00 C ATOM 1170 C ALA A 79 -7.040 5.755 3.187 1.00 0.00 C ATOM 1171 O ALA A 79 -7.167 6.948 2.914 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.818 4.827 2.520 1.00 0.00 C ATOM 0 H ALA A 79 -5.540 3.189 4.215 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.225 6.010 4.264 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.693 5.685 1.859 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.843 4.510 2.890 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.281 4.008 1.969 1.00 0.00 H new ATOM 1178 N GLY A 80 -8.036 4.882 3.066 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.338 5.320 2.595 1.00 0.00 C ATOM 1180 C GLY A 80 -10.105 4.229 1.880 1.00 0.00 C ATOM 1181 O GLY A 80 -11.251 3.934 2.219 1.00 0.00 O ATOM 0 H GLY A 80 -7.966 3.888 3.283 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.925 5.674 3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.209 6.167 1.921 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.469 3.646 0.878 1.00 0.00 N ATOM 1186 CA LEU A 81 -10.078 2.591 0.082 1.00 0.00 C ATOM 1187 C LEU A 81 -10.274 1.323 0.906 1.00 0.00 C ATOM 1188 O LEU A 81 -10.256 0.224 0.312 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.195 2.307 -1.130 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.761 3.554 -1.904 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.599 3.228 -2.830 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.926 4.119 -2.701 1.00 0.00 C ATOM 1193 OXT LEU A 81 -10.443 1.439 2.138 1.00 0.00 O ATOM 0 H LEU A 81 -8.520 3.888 0.593 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.062 2.922 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.305 1.773 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.732 1.643 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.434 4.306 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.303 4.126 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.756 2.865 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.904 2.459 -3.540 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.599 5.005 -3.245 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.280 3.369 -3.408 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.735 4.388 -2.022 1.00 0.00 H new TER 1205 LEU A 81