USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 852 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: B 43 SER OG : rot -101:sc= 1.26 USER MOD Set 1.2: B 44 THR OG1 : rot 155:sc= 1.94 USER MOD Set 2.1: B 17 CYS SG : rot -148:sc= 0.128 USER MOD Set 2.2: B 46 SER OG : rot 166:sc= 0.702 USER MOD Set 3.1: A 44 THR OG1 : rot 40:sc= 2.49 USER MOD Set 3.2: B 8 GLN : amide:sc= 0.524 K(o=6.7,f=4.8) USER MOD Set 3.3: B 29 SER OG : rot 178:sc= 1.89 USER MOD Set 3.4: B 30 SER OG : rot 95:sc= 1.76 USER MOD Set 4.1: A 38 GLN : amide:sc= 0.29 K(o=1.7,f=0.32) USER MOD Set 4.2: A 39 GLN : amide:sc= 1.43 K(o=1.7,f=0.32) USER MOD Set 5.1: A 8 GLN : amide:sc= 0.597 X(o=1.3,f=1.3) USER MOD Set 5.2: A 30 SER OG : rot 80:sc= 0.733 USER MOD Set 6.1: A 17 CYS SG : rot 159:sc= 0.262 USER MOD Set 6.2: A 18 LYS NZ :NH3+ 175:sc= 1.14 (180deg=0.0566) USER MOD Set 6.3: B 2 SER OG : rot -81:sc= 2.14 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.103 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0229 USER MOD Single : A 3 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.9!) USER MOD Single : A 4 MET CE :methyl 175:sc= 0 (180deg=-0.0361) USER MOD Single : A 10 HIS : no HE2:sc= -1.25 K(o=-1.3,f=-3.3!) USER MOD Single : A 11 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.16) USER MOD Single : A 14 CYS SG : rot 169:sc= 1.75 USER MOD Single : A 16 CYS SG : rot 146:sc= 0.503! USER MOD Single : A 26 THR OG1 : rot 58:sc= 0.335 USER MOD Single : A 29 SER OG : rot 180:sc= -0.235 USER MOD Single : A 36 THR OG1 : rot 74:sc= 1.27 USER MOD Single : A 43 SER OG : rot -101:sc= 0.999 USER MOD Single : A 46 SER OG : rot 141:sc= 0.929 USER MOD Single : A 54 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 55 ASN : amide:sc= -0.658 K(o=-0.66,f=-2.5!) USER MOD Single : A 56 GLN : amide:sc= 1.58 K(o=1.6,f=-8!) USER MOD Single : B 1 GLY N :NH3+ 157:sc= 0.542 (180deg=-1.01) USER MOD Single : B 3 HIS : no HE2:sc= -1.11 K(o=-1.1,f=-1.7) USER MOD Single : B 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 10 HIS : no HE2:sc= -0.56 K(o=-0.56,f=-2.9) USER MOD Single : B 11 LYS NZ :NH3+ 156:sc= 1.27 (180deg=1.25) USER MOD Single : B 14 CYS SG : rot 166:sc= 0.545 USER MOD Single : B 16 CYS SG : rot 154:sc= 1.67 USER MOD Single : B 18 LYS NZ :NH3+ -166:sc= 1.82 (180deg=1.41) USER MOD Single : B 26 THR OG1 : rot 64:sc= 1.13 USER MOD Single : B 36 THR OG1 : rot 90:sc= 1.24 USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 39 GLN : amide:sc= 1.12 K(o=1.1,f=-0.068) USER MOD Single : B 54 THR OG1 : rot 71:sc= 1.22 USER MOD Single : B 55 ASN : amide:sc= 1.21 K(o=1.2,f=-0.022) USER MOD Single : B 56 GLN : amide:sc= 1.79 K(o=1.8,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.725 14.491 10.523 1.00 0.00 N ATOM 2 CA GLY A 1 -22.555 15.107 9.195 1.00 0.00 C ATOM 3 C GLY A 1 -22.433 14.025 8.135 1.00 0.00 C ATOM 4 O GLY A 1 -22.919 12.913 8.353 1.00 0.00 O ATOM 0 H1 GLY A 1 -23.596 14.851 10.964 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.790 13.458 10.421 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.909 14.729 11.123 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.405 15.752 8.972 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.666 15.737 9.188 1.00 0.00 H new ATOM 8 N SER A 2 -21.789 14.345 7.009 1.00 0.00 N ATOM 9 CA SER A 2 -21.482 13.407 5.937 1.00 0.00 C ATOM 10 C SER A 2 -20.725 12.196 6.489 1.00 0.00 C ATOM 11 O SER A 2 -19.837 12.354 7.327 1.00 0.00 O ATOM 12 CB SER A 2 -20.631 14.128 4.884 1.00 0.00 C ATOM 13 OG SER A 2 -21.177 15.405 4.603 1.00 0.00 O ATOM 0 H SER A 2 -21.460 15.291 6.817 1.00 0.00 H new ATOM 0 HA SER A 2 -22.408 13.051 5.485 1.00 0.00 H new ATOM 0 HB2 SER A 2 -19.607 14.233 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.589 13.534 3.971 1.00 0.00 H new ATOM 0 HG SER A 2 -20.625 15.856 3.931 1.00 0.00 H new ATOM 19 N HIS A 3 -21.083 10.995 6.030 1.00 0.00 N ATOM 20 CA HIS A 3 -20.473 9.739 6.435 1.00 0.00 C ATOM 21 C HIS A 3 -20.704 8.722 5.318 1.00 0.00 C ATOM 22 O HIS A 3 -21.727 8.782 4.636 1.00 0.00 O ATOM 23 CB HIS A 3 -21.098 9.257 7.758 1.00 0.00 C ATOM 24 CG HIS A 3 -22.609 9.171 7.749 1.00 0.00 C ATOM 25 ND1 HIS A 3 -23.483 10.216 7.964 1.00 0.00 N ATOM 26 CD2 HIS A 3 -23.358 8.048 7.514 1.00 0.00 C ATOM 27 CE1 HIS A 3 -24.731 9.726 7.858 1.00 0.00 C ATOM 28 NE2 HIS A 3 -24.705 8.412 7.591 1.00 0.00 N ATOM 0 H HIS A 3 -21.829 10.872 5.345 1.00 0.00 H new ATOM 0 HA HIS A 3 -19.403 9.864 6.600 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -20.693 8.274 7.998 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -20.791 9.932 8.557 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -23.229 11.183 8.166 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -22.976 7.059 7.307 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -25.632 10.311 7.972 1.00 0.00 H new ATOM 36 N MET A 4 -19.767 7.786 5.149 1.00 0.00 N ATOM 37 CA MET A 4 -19.893 6.613 4.296 1.00 0.00 C ATOM 38 C MET A 4 -18.812 5.620 4.726 1.00 0.00 C ATOM 39 O MET A 4 -17.805 6.025 5.311 1.00 0.00 O ATOM 40 CB MET A 4 -19.688 7.009 2.819 1.00 0.00 C ATOM 41 CG MET A 4 -19.967 5.867 1.829 1.00 0.00 C ATOM 42 SD MET A 4 -21.594 5.067 1.972 1.00 0.00 S ATOM 43 CE MET A 4 -22.701 6.471 1.671 1.00 0.00 C ATOM 0 H MET A 4 -18.865 7.831 5.624 1.00 0.00 H new ATOM 0 HA MET A 4 -20.885 6.171 4.393 1.00 0.00 H new ATOM 0 HB2 MET A 4 -20.341 7.850 2.583 1.00 0.00 H new ATOM 0 HB3 MET A 4 -18.663 7.353 2.683 1.00 0.00 H new ATOM 0 HG2 MET A 4 -19.864 6.257 0.817 1.00 0.00 H new ATOM 0 HG3 MET A 4 -19.197 5.106 1.957 1.00 0.00 H new ATOM 0 HE1 MET A 4 -23.733 6.120 1.638 1.00 0.00 H new ATOM 0 HE2 MET A 4 -22.591 7.200 2.474 1.00 0.00 H new ATOM 0 HE3 MET A 4 -22.446 6.938 0.720 1.00 0.00 H new ATOM 53 N ALA A 5 -19.017 4.342 4.413 1.00 0.00 N ATOM 54 CA ALA A 5 -17.983 3.330 4.317 1.00 0.00 C ATOM 55 C ALA A 5 -18.496 2.268 3.351 1.00 0.00 C ATOM 56 O ALA A 5 -19.695 2.195 3.072 1.00 0.00 O ATOM 57 CB ALA A 5 -17.663 2.704 5.672 1.00 0.00 C ATOM 0 H ALA A 5 -19.947 3.975 4.213 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.056 3.781 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -16.883 1.952 5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -17.317 3.478 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -18.560 2.235 6.077 1.00 0.00 H new ATOM 63 N GLU A 6 -17.582 1.449 2.843 1.00 0.00 N ATOM 64 CA GLU A 6 -17.805 0.579 1.707 1.00 0.00 C ATOM 65 C GLU A 6 -16.822 -0.598 1.796 1.00 0.00 C ATOM 66 O GLU A 6 -15.866 -0.522 2.573 1.00 0.00 O ATOM 67 CB GLU A 6 -17.608 1.426 0.435 1.00 0.00 C ATOM 68 CG GLU A 6 -16.253 2.134 0.328 1.00 0.00 C ATOM 69 CD GLU A 6 -16.055 3.303 1.300 1.00 0.00 C ATOM 70 OE1 GLU A 6 -16.850 4.268 1.261 1.00 0.00 O ATOM 71 OE2 GLU A 6 -15.097 3.250 2.104 1.00 0.00 O ATOM 0 H GLU A 6 -16.639 1.374 3.226 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.811 0.160 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.733 0.781 -0.435 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.397 2.177 0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.463 1.402 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -16.132 2.503 -0.690 1.00 0.00 H new ATOM 78 N PRO A 7 -17.021 -1.683 1.025 1.00 0.00 N ATOM 79 CA PRO A 7 -16.024 -2.732 0.905 1.00 0.00 C ATOM 80 C PRO A 7 -14.870 -2.232 0.029 1.00 0.00 C ATOM 81 O PRO A 7 -14.919 -1.141 -0.551 1.00 0.00 O ATOM 82 CB PRO A 7 -16.776 -3.919 0.293 1.00 0.00 C ATOM 83 CG PRO A 7 -17.825 -3.255 -0.596 1.00 0.00 C ATOM 84 CD PRO A 7 -18.120 -1.923 0.098 1.00 0.00 C ATOM 0 HA PRO A 7 -15.571 -3.024 1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -16.111 -4.562 -0.283 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -17.236 -4.542 1.060 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.450 -3.102 -1.608 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -18.722 -3.868 -0.678 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -18.196 -1.115 -0.630 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -19.072 -1.965 0.628 1.00 0.00 H new ATOM 92 N GLN A 8 -13.840 -3.067 -0.118 1.00 0.00 N ATOM 93 CA GLN A 8 -12.641 -2.813 -0.876 1.00 0.00 C ATOM 94 C GLN A 8 -11.827 -1.699 -0.208 1.00 0.00 C ATOM 95 O GLN A 8 -10.830 -2.026 0.427 1.00 0.00 O ATOM 96 CB GLN A 8 -12.992 -2.686 -2.373 1.00 0.00 C ATOM 97 CG GLN A 8 -12.489 -3.871 -3.210 1.00 0.00 C ATOM 98 CD GLN A 8 -13.003 -5.223 -2.699 1.00 0.00 C ATOM 99 OE1 GLN A 8 -14.150 -5.370 -2.291 1.00 0.00 O ATOM 100 NE2 GLN A 8 -12.135 -6.222 -2.673 1.00 0.00 N ATOM 0 H GLN A 8 -13.832 -3.989 0.319 1.00 0.00 H new ATOM 0 HA GLN A 8 -11.942 -3.650 -0.865 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.074 -2.605 -2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.563 -1.764 -2.764 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.802 -3.737 -4.245 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.399 -3.877 -3.205 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -11.185 -6.081 -3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -12.416 -7.133 -2.309 1.00 0.00 H new ATOM 109 N ARG A 9 -12.222 -0.426 -0.306 1.00 0.00 N ATOM 110 CA ARG A 9 -11.581 0.737 0.325 1.00 0.00 C ATOM 111 C ARG A 9 -11.331 0.499 1.826 1.00 0.00 C ATOM 112 O ARG A 9 -12.190 0.798 2.651 1.00 0.00 O ATOM 113 CB ARG A 9 -12.481 1.963 0.076 1.00 0.00 C ATOM 114 CG ARG A 9 -11.864 3.329 0.315 1.00 0.00 C ATOM 115 CD ARG A 9 -11.770 3.768 1.788 1.00 0.00 C ATOM 116 NE ARG A 9 -11.676 5.238 1.911 1.00 0.00 N ATOM 117 CZ ARG A 9 -12.717 6.076 2.058 1.00 0.00 C ATOM 118 NH1 ARG A 9 -13.956 5.631 2.226 1.00 0.00 N ATOM 119 NH2 ARG A 9 -12.537 7.397 2.025 1.00 0.00 N ATOM 0 H ARG A 9 -13.040 -0.163 -0.856 1.00 0.00 H new ATOM 0 HA ARG A 9 -10.599 0.909 -0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -12.829 1.924 -0.956 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -13.361 1.872 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -10.861 3.335 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.447 4.071 -0.230 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.645 3.412 2.331 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -10.898 3.307 2.251 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.744 5.651 1.882 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.139 4.628 2.246 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.725 6.292 2.335 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.602 7.781 1.887 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.334 8.023 2.138 1.00 0.00 H new ATOM 133 N HIS A 10 -10.153 -0.007 2.202 1.00 0.00 N ATOM 134 CA HIS A 10 -9.839 -0.388 3.582 1.00 0.00 C ATOM 135 C HIS A 10 -8.543 0.286 4.020 1.00 0.00 C ATOM 136 O HIS A 10 -7.662 0.564 3.210 1.00 0.00 O ATOM 137 CB HIS A 10 -9.780 -1.908 3.753 1.00 0.00 C ATOM 138 CG HIS A 10 -11.064 -2.667 3.482 1.00 0.00 C ATOM 139 ND1 HIS A 10 -11.137 -3.941 2.979 1.00 0.00 N ATOM 140 CD2 HIS A 10 -12.355 -2.221 3.597 1.00 0.00 C ATOM 141 CE1 HIS A 10 -12.426 -4.233 2.752 1.00 0.00 C ATOM 142 NE2 HIS A 10 -13.214 -3.224 3.136 1.00 0.00 N ATOM 0 H HIS A 10 -9.384 -0.165 1.551 1.00 0.00 H new ATOM 0 HA HIS A 10 -10.644 -0.040 4.230 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.007 -2.297 3.090 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.464 -2.125 4.773 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -10.345 -4.561 2.807 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -12.658 -1.257 3.979 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.779 -5.157 2.318 1.00 0.00 H new ATOM 150 N LYS A 11 -8.426 0.556 5.322 1.00 0.00 N ATOM 151 CA LYS A 11 -7.521 1.567 5.840 1.00 0.00 C ATOM 152 C LYS A 11 -6.682 1.023 6.987 1.00 0.00 C ATOM 153 O LYS A 11 -7.125 1.018 8.135 1.00 0.00 O ATOM 154 CB LYS A 11 -8.374 2.770 6.257 1.00 0.00 C ATOM 155 CG LYS A 11 -9.091 3.421 5.053 1.00 0.00 C ATOM 156 CD LYS A 11 -10.132 4.475 5.434 1.00 0.00 C ATOM 157 CE LYS A 11 -9.478 5.426 6.424 1.00 0.00 C ATOM 158 NZ LYS A 11 -10.209 6.681 6.669 1.00 0.00 N ATOM 0 H LYS A 11 -8.961 0.074 6.044 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.805 1.873 5.077 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.115 2.451 6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.741 3.511 6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -8.344 3.882 4.407 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.579 2.640 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.472 5.015 4.550 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.010 4.004 5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.354 4.906 7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.480 5.671 6.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -9.660 7.282 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.351 7.182 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.133 6.467 7.095 1.00 0.00 H new ATOM 172 N ILE A 12 -5.473 0.560 6.673 1.00 0.00 N ATOM 173 CA ILE A 12 -4.536 0.062 7.674 1.00 0.00 C ATOM 174 C ILE A 12 -3.749 1.264 8.206 1.00 0.00 C ATOM 175 O ILE A 12 -2.809 1.738 7.581 1.00 0.00 O ATOM 176 CB ILE A 12 -3.619 -1.046 7.106 1.00 0.00 C ATOM 177 CG1 ILE A 12 -4.407 -2.159 6.375 1.00 0.00 C ATOM 178 CG2 ILE A 12 -2.773 -1.609 8.264 1.00 0.00 C ATOM 179 CD1 ILE A 12 -3.510 -3.029 5.492 1.00 0.00 C ATOM 0 H ILE A 12 -5.117 0.520 5.718 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.075 -0.413 8.494 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.969 -0.613 6.346 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.907 -2.789 7.111 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.185 -1.705 5.761 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.117 -2.394 7.887 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.171 -0.810 8.697 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.431 -2.022 9.028 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.113 -3.794 5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.030 -2.407 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.747 -3.507 6.107 1.00 0.00 H new ATOM 191 N LEU A 13 -4.125 1.805 9.357 1.00 0.00 N ATOM 192 CA LEU A 13 -3.354 2.845 10.007 1.00 0.00 C ATOM 193 C LEU A 13 -2.018 2.261 10.454 1.00 0.00 C ATOM 194 O LEU A 13 -1.977 1.389 11.321 1.00 0.00 O ATOM 195 CB LEU A 13 -4.151 3.480 11.146 1.00 0.00 C ATOM 196 CG LEU A 13 -3.491 4.796 11.607 1.00 0.00 C ATOM 197 CD1 LEU A 13 -4.593 5.771 12.006 1.00 0.00 C ATOM 198 CD2 LEU A 13 -2.513 4.607 12.774 1.00 0.00 C ATOM 0 H LEU A 13 -4.969 1.534 9.861 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.144 3.656 9.309 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.172 3.675 10.817 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.213 2.786 11.984 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.901 5.183 10.776 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.147 6.709 12.336 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.241 5.958 11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.180 5.343 12.819 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.084 5.571 13.049 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.044 4.189 13.629 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.715 3.927 12.474 1.00 0.00 H new ATOM 210 N CYS A 14 -0.939 2.729 9.829 1.00 0.00 N ATOM 211 CA CYS A 14 0.424 2.316 10.130 1.00 0.00 C ATOM 212 C CYS A 14 1.337 3.539 10.292 1.00 0.00 C ATOM 213 O CYS A 14 0.869 4.662 10.496 1.00 0.00 O ATOM 214 CB CYS A 14 0.896 1.351 9.033 1.00 0.00 C ATOM 215 SG CYS A 14 2.145 0.218 9.704 1.00 0.00 S ATOM 0 H CYS A 14 -0.993 3.422 9.082 1.00 0.00 H new ATOM 0 HA CYS A 14 0.464 1.788 11.083 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.049 0.785 8.646 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.313 1.913 8.197 1.00 0.00 H new ATOM 0 HG CYS A 14 2.374 -0.732 8.847 1.00 0.00 H new ATOM 221 N VAL A 15 2.651 3.325 10.204 1.00 0.00 N ATOM 222 CA VAL A 15 3.655 4.375 10.144 1.00 0.00 C ATOM 223 C VAL A 15 4.529 4.155 8.910 1.00 0.00 C ATOM 224 O VAL A 15 4.662 3.033 8.418 1.00 0.00 O ATOM 225 CB VAL A 15 4.487 4.445 11.445 1.00 0.00 C ATOM 226 CG1 VAL A 15 3.626 4.902 12.632 1.00 0.00 C ATOM 227 CG2 VAL A 15 5.175 3.115 11.798 1.00 0.00 C ATOM 0 H VAL A 15 3.052 2.388 10.172 1.00 0.00 H new ATOM 0 HA VAL A 15 3.160 5.342 10.055 1.00 0.00 H new ATOM 0 HB VAL A 15 5.269 5.180 11.252 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.239 4.941 13.532 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.219 5.892 12.426 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.808 4.197 12.781 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.742 3.233 12.721 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.421 2.339 11.932 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.850 2.829 10.991 1.00 0.00 H new ATOM 237 N CYS A 16 5.127 5.239 8.418 1.00 0.00 N ATOM 238 CA CYS A 16 6.142 5.207 7.388 1.00 0.00 C ATOM 239 C CYS A 16 7.438 4.679 7.991 1.00 0.00 C ATOM 240 O CYS A 16 7.886 5.195 9.015 1.00 0.00 O ATOM 241 CB CYS A 16 6.379 6.620 6.841 1.00 0.00 C ATOM 242 SG CYS A 16 7.482 6.430 5.418 1.00 0.00 S ATOM 0 H CYS A 16 4.908 6.182 8.738 1.00 0.00 H new ATOM 0 HA CYS A 16 5.813 4.560 6.574 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.439 7.086 6.546 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.828 7.261 7.599 1.00 0.00 H new ATOM 0 HG CYS A 16 7.180 7.314 4.514 1.00 0.00 H new ATOM 247 N CYS A 17 8.081 3.740 7.292 1.00 0.00 N ATOM 248 CA CYS A 17 9.414 3.244 7.624 1.00 0.00 C ATOM 249 C CYS A 17 10.427 4.383 7.821 1.00 0.00 C ATOM 250 O CYS A 17 11.267 4.311 8.715 1.00 0.00 O ATOM 251 CB CYS A 17 9.845 2.294 6.495 1.00 0.00 C ATOM 252 SG CYS A 17 11.584 1.794 6.612 1.00 0.00 S ATOM 0 H CYS A 17 7.680 3.297 6.465 1.00 0.00 H new ATOM 0 HA CYS A 17 9.383 2.715 8.577 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.215 1.405 6.516 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.677 2.781 5.534 1.00 0.00 H new ATOM 0 HG CYS A 17 11.764 0.690 5.950 1.00 0.00 H new ATOM 258 N LYS A 18 10.378 5.418 6.970 1.00 0.00 N ATOM 259 CA LYS A 18 11.505 6.322 6.763 1.00 0.00 C ATOM 260 C LYS A 18 11.168 7.812 6.785 1.00 0.00 C ATOM 261 O LYS A 18 12.088 8.625 6.882 1.00 0.00 O ATOM 262 CB LYS A 18 12.231 5.906 5.486 1.00 0.00 C ATOM 263 CG LYS A 18 11.329 5.719 4.252 1.00 0.00 C ATOM 264 CD LYS A 18 12.161 5.371 3.009 1.00 0.00 C ATOM 265 CE LYS A 18 12.409 3.870 2.785 1.00 0.00 C ATOM 266 NZ LYS A 18 13.094 3.164 3.889 1.00 0.00 N ATOM 0 H LYS A 18 9.556 5.647 6.410 1.00 0.00 H new ATOM 0 HA LYS A 18 12.162 6.216 7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 18 12.986 6.658 5.254 1.00 0.00 H new ATOM 0 HB3 LYS A 18 12.760 4.972 5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.605 4.927 4.443 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.762 6.632 4.070 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.658 5.775 2.130 1.00 0.00 H new ATOM 0 HD3 LYS A 18 13.125 5.875 3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.450 3.384 2.607 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.001 3.749 1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.137 2.147 3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.059 3.537 3.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 12.568 3.311 4.774 1.00 0.00 H new ATOM 280 N CYS A 19 9.884 8.175 6.735 1.00 0.00 N ATOM 281 CA CYS A 19 9.427 9.480 7.195 1.00 0.00 C ATOM 282 C CYS A 19 9.237 9.489 8.715 1.00 0.00 C ATOM 283 O CYS A 19 9.131 10.572 9.280 1.00 0.00 O ATOM 284 CB CYS A 19 8.124 9.886 6.548 1.00 0.00 C ATOM 285 SG CYS A 19 8.044 9.865 4.748 1.00 0.00 S ATOM 0 H CYS A 19 9.141 7.575 6.377 1.00 0.00 H new ATOM 0 HA CYS A 19 10.200 10.193 6.910 1.00 0.00 H new ATOM 0 HB2 CYS A 19 7.342 9.228 6.927 1.00 0.00 H new ATOM 0 HB3 CYS A 19 7.882 10.895 6.883 1.00 0.00 H new ATOM 290 N ASP A 20 9.163 8.302 9.345 1.00 0.00 N ATOM 291 CA ASP A 20 8.781 8.083 10.741 1.00 0.00 C ATOM 292 C ASP A 20 7.567 8.941 11.123 1.00 0.00 C ATOM 293 O ASP A 20 7.635 9.863 11.935 1.00 0.00 O ATOM 294 CB ASP A 20 9.998 8.254 11.659 1.00 0.00 C ATOM 295 CG ASP A 20 9.678 7.908 13.118 1.00 0.00 C ATOM 296 OD1 ASP A 20 8.789 7.050 13.331 1.00 0.00 O ATOM 297 OD2 ASP A 20 10.370 8.462 14.001 1.00 0.00 O ATOM 0 H ASP A 20 9.380 7.429 8.864 1.00 0.00 H new ATOM 0 HA ASP A 20 8.450 7.053 10.875 1.00 0.00 H new ATOM 0 HB2 ASP A 20 10.809 7.617 11.306 1.00 0.00 H new ATOM 0 HB3 ASP A 20 10.353 9.283 11.601 1.00 0.00 H new ATOM 302 N GLY A 21 6.439 8.652 10.467 1.00 0.00 N ATOM 303 CA GLY A 21 5.199 9.389 10.608 1.00 0.00 C ATOM 304 C GLY A 21 4.008 8.483 10.329 1.00 0.00 C ATOM 305 O GLY A 21 4.143 7.484 9.627 1.00 0.00 O ATOM 0 H GLY A 21 6.371 7.877 9.808 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.124 9.798 11.616 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.190 10.234 9.919 1.00 0.00 H new ATOM 309 N ARG A 22 2.840 8.843 10.865 1.00 0.00 N ATOM 310 CA ARG A 22 1.588 8.100 10.750 1.00 0.00 C ATOM 311 C ARG A 22 1.142 8.082 9.292 1.00 0.00 C ATOM 312 O ARG A 22 1.094 9.138 8.661 1.00 0.00 O ATOM 313 CB ARG A 22 0.570 8.781 11.685 1.00 0.00 C ATOM 314 CG ARG A 22 -0.876 8.256 11.650 1.00 0.00 C ATOM 315 CD ARG A 22 -1.759 8.954 10.599 1.00 0.00 C ATOM 316 NE ARG A 22 -3.180 8.892 10.978 1.00 0.00 N ATOM 317 CZ ARG A 22 -4.227 9.106 10.170 1.00 0.00 C ATOM 318 NH1 ARG A 22 -4.080 9.577 8.935 1.00 0.00 N ATOM 319 NH2 ARG A 22 -5.461 8.814 10.566 1.00 0.00 N ATOM 0 H ARG A 22 2.739 9.697 11.414 1.00 0.00 H new ATOM 0 HA ARG A 22 1.694 7.058 11.050 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.937 8.692 12.707 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.550 9.844 11.445 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.860 7.185 11.446 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.325 8.387 12.635 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.452 9.995 10.494 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.617 8.481 9.627 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.388 8.664 11.950 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.148 9.787 8.577 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.899 9.728 8.346 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.619 8.422 11.494 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.250 8.982 9.942 1.00 0.00 H new ATOM 333 N ILE A 23 0.745 6.911 8.785 1.00 0.00 N ATOM 334 CA ILE A 23 0.054 6.786 7.508 1.00 0.00 C ATOM 335 C ILE A 23 -1.272 6.069 7.773 1.00 0.00 C ATOM 336 O ILE A 23 -1.372 5.229 8.662 1.00 0.00 O ATOM 337 CB ILE A 23 0.876 6.024 6.434 1.00 0.00 C ATOM 338 CG1 ILE A 23 2.361 6.434 6.297 1.00 0.00 C ATOM 339 CG2 ILE A 23 0.173 6.242 5.075 1.00 0.00 C ATOM 340 CD1 ILE A 23 3.178 5.383 5.521 1.00 0.00 C ATOM 0 H ILE A 23 0.898 6.019 9.256 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.103 7.784 7.099 1.00 0.00 H new ATOM 0 HB ILE A 23 0.904 4.983 6.754 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.427 7.395 5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.793 6.570 7.288 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.724 5.720 4.293 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.844 5.853 5.125 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.143 7.308 4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.215 5.710 5.448 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.135 4.429 6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.763 5.266 4.520 1.00 0.00 H new ATOM 352 N GLU A 24 -2.281 6.352 6.957 1.00 0.00 N ATOM 353 CA GLU A 24 -3.581 5.711 6.983 1.00 0.00 C ATOM 354 C GLU A 24 -3.747 4.977 5.659 1.00 0.00 C ATOM 355 O GLU A 24 -4.245 5.525 4.669 1.00 0.00 O ATOM 356 CB GLU A 24 -4.591 6.800 7.298 1.00 0.00 C ATOM 357 CG GLU A 24 -6.052 6.367 7.305 1.00 0.00 C ATOM 358 CD GLU A 24 -6.942 7.492 7.889 1.00 0.00 C ATOM 359 OE1 GLU A 24 -6.449 8.630 8.099 1.00 0.00 O ATOM 360 OE2 GLU A 24 -8.126 7.217 8.178 1.00 0.00 O ATOM 0 H GLU A 24 -2.208 7.065 6.231 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.719 4.948 7.749 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.351 7.220 8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.473 7.601 6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.373 6.129 6.291 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.167 5.459 7.897 1.00 0.00 H new ATOM 367 N LEU A 25 -3.197 3.757 5.635 1.00 0.00 N ATOM 368 CA LEU A 25 -2.888 3.029 4.421 1.00 0.00 C ATOM 369 C LEU A 25 -4.181 2.580 3.755 1.00 0.00 C ATOM 370 O LEU A 25 -4.717 1.512 4.063 1.00 0.00 O ATOM 371 CB LEU A 25 -2.029 1.799 4.691 1.00 0.00 C ATOM 372 CG LEU A 25 -0.685 2.022 5.402 1.00 0.00 C ATOM 373 CD1 LEU A 25 -0.070 0.663 5.745 1.00 0.00 C ATOM 374 CD2 LEU A 25 0.285 2.774 4.489 1.00 0.00 C ATOM 0 H LEU A 25 -2.953 3.246 6.484 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.327 3.702 3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.616 1.102 5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.829 1.311 3.737 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.859 2.607 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.884 0.813 6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.745 0.113 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.089 0.094 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.232 2.923 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.456 2.193 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.141 3.742 4.225 1.00 0.00 H new ATOM 386 N THR A 26 -4.698 3.422 2.873 1.00 0.00 N ATOM 387 CA THR A 26 -5.962 3.190 2.218 1.00 0.00 C ATOM 388 C THR A 26 -5.669 2.345 0.976 1.00 0.00 C ATOM 389 O THR A 26 -5.387 2.869 -0.100 1.00 0.00 O ATOM 390 CB THR A 26 -6.641 4.529 1.948 1.00 0.00 C ATOM 391 OG1 THR A 26 -6.676 5.293 3.149 1.00 0.00 O ATOM 392 CG2 THR A 26 -8.082 4.308 1.470 1.00 0.00 C ATOM 0 H THR A 26 -4.243 4.291 2.594 1.00 0.00 H new ATOM 0 HA THR A 26 -6.673 2.634 2.829 1.00 0.00 H new ATOM 0 HB THR A 26 -6.078 5.056 1.178 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.763 5.423 3.481 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.555 5.272 1.281 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.075 3.721 0.551 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.642 3.774 2.237 1.00 0.00 H new ATOM 400 N VAL A 27 -5.672 1.025 1.152 1.00 0.00 N ATOM 401 CA VAL A 27 -5.633 0.066 0.052 1.00 0.00 C ATOM 402 C VAL A 27 -7.095 -0.271 -0.275 1.00 0.00 C ATOM 403 O VAL A 27 -8.028 0.199 0.381 1.00 0.00 O ATOM 404 CB VAL A 27 -4.719 -1.154 0.426 1.00 0.00 C ATOM 405 CG1 VAL A 27 -3.361 -0.671 0.965 1.00 0.00 C ATOM 406 CG2 VAL A 27 -5.360 -2.004 1.538 1.00 0.00 C ATOM 0 H VAL A 27 -5.702 0.587 2.073 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.172 0.461 -0.853 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.592 -1.741 -0.483 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.743 -1.532 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.858 -0.075 0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.519 -0.063 1.856 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.706 -2.842 1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.504 -1.391 2.427 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.324 -2.382 1.197 1.00 0.00 H new ATOM 416 N GLU A 28 -7.330 -1.041 -1.328 1.00 0.00 N ATOM 417 CA GLU A 28 -8.674 -1.296 -1.821 1.00 0.00 C ATOM 418 C GLU A 28 -8.700 -2.815 -2.057 1.00 0.00 C ATOM 419 O GLU A 28 -8.120 -3.333 -3.005 1.00 0.00 O ATOM 420 CB GLU A 28 -8.879 -0.340 -3.007 1.00 0.00 C ATOM 421 CG GLU A 28 -10.249 0.304 -3.226 1.00 0.00 C ATOM 422 CD GLU A 28 -10.383 0.774 -4.681 1.00 0.00 C ATOM 423 OE1 GLU A 28 -10.346 -0.115 -5.573 1.00 0.00 O ATOM 424 OE2 GLU A 28 -10.471 2.004 -4.898 1.00 0.00 O ATOM 0 H GLU A 28 -6.596 -1.505 -1.863 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.527 -1.086 -1.175 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.151 0.465 -2.907 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.626 -0.887 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.038 -0.411 -2.992 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.375 1.149 -2.549 1.00 0.00 H new ATOM 431 N SER A 29 -9.177 -3.576 -1.066 1.00 0.00 N ATOM 432 CA SER A 29 -8.884 -4.993 -0.901 1.00 0.00 C ATOM 433 C SER A 29 -10.040 -5.697 -0.198 1.00 0.00 C ATOM 434 O SER A 29 -10.671 -5.063 0.631 1.00 0.00 O ATOM 435 CB SER A 29 -7.676 -5.025 0.040 1.00 0.00 C ATOM 436 OG SER A 29 -6.581 -4.294 -0.473 1.00 0.00 O ATOM 0 H SER A 29 -9.793 -3.208 -0.341 1.00 0.00 H new ATOM 0 HA SER A 29 -8.714 -5.482 -1.860 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.962 -4.616 1.009 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.374 -6.059 0.207 1.00 0.00 H new ATOM 0 HG SER A 29 -5.833 -4.339 0.159 1.00 0.00 H new ATOM 442 N SER A 30 -10.317 -6.988 -0.419 1.00 0.00 N ATOM 443 CA SER A 30 -11.314 -7.670 0.422 1.00 0.00 C ATOM 444 C SER A 30 -10.729 -7.852 1.829 1.00 0.00 C ATOM 445 O SER A 30 -9.512 -7.889 1.971 1.00 0.00 O ATOM 446 CB SER A 30 -11.696 -9.019 -0.189 1.00 0.00 C ATOM 447 OG SER A 30 -12.162 -8.837 -1.515 1.00 0.00 O ATOM 0 H SER A 30 -9.886 -7.564 -1.142 1.00 0.00 H new ATOM 0 HA SER A 30 -12.221 -7.068 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.834 -9.686 -0.186 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.469 -9.495 0.415 1.00 0.00 H new ATOM 0 HG SER A 30 -11.397 -8.734 -2.119 1.00 0.00 H new ATOM 453 N ALA A 31 -11.553 -7.994 2.875 1.00 0.00 N ATOM 454 CA ALA A 31 -11.060 -7.983 4.257 1.00 0.00 C ATOM 455 C ALA A 31 -10.009 -9.074 4.530 1.00 0.00 C ATOM 456 O ALA A 31 -8.962 -8.798 5.115 1.00 0.00 O ATOM 457 CB ALA A 31 -12.242 -8.103 5.226 1.00 0.00 C ATOM 0 H ALA A 31 -12.562 -8.118 2.790 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.552 -7.032 4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.874 -8.095 6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.921 -7.263 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.773 -9.036 5.039 1.00 0.00 H new ATOM 463 N GLU A 32 -10.254 -10.308 4.077 1.00 0.00 N ATOM 464 CA GLU A 32 -9.340 -11.433 4.276 1.00 0.00 C ATOM 465 C GLU A 32 -8.135 -11.365 3.322 1.00 0.00 C ATOM 466 O GLU A 32 -7.090 -11.976 3.555 1.00 0.00 O ATOM 467 CB GLU A 32 -10.105 -12.738 4.046 1.00 0.00 C ATOM 468 CG GLU A 32 -11.079 -13.099 5.187 1.00 0.00 C ATOM 469 CD GLU A 32 -10.387 -13.740 6.402 1.00 0.00 C ATOM 470 OE1 GLU A 32 -9.757 -13.004 7.194 1.00 0.00 O ATOM 471 OE2 GLU A 32 -10.489 -14.972 6.576 1.00 0.00 O ATOM 0 H GLU A 32 -11.098 -10.554 3.559 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.956 -11.388 5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.665 -12.660 3.114 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.389 -13.551 3.921 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.600 -12.197 5.509 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.835 -13.785 4.805 1.00 0.00 H new ATOM 478 N ASP A 33 -8.264 -10.603 2.240 1.00 0.00 N ATOM 479 CA ASP A 33 -7.236 -10.378 1.242 1.00 0.00 C ATOM 480 C ASP A 33 -6.278 -9.282 1.748 1.00 0.00 C ATOM 481 O ASP A 33 -5.055 -9.403 1.691 1.00 0.00 O ATOM 482 CB ASP A 33 -7.964 -10.032 -0.068 1.00 0.00 C ATOM 483 CG ASP A 33 -7.198 -10.414 -1.329 1.00 0.00 C ATOM 484 OD1 ASP A 33 -5.966 -10.554 -1.248 1.00 0.00 O ATOM 485 OD2 ASP A 33 -7.872 -10.541 -2.382 1.00 0.00 O ATOM 0 H ASP A 33 -9.129 -10.105 2.030 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.610 -11.251 1.058 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.931 -10.536 -0.077 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.163 -8.960 -0.088 1.00 0.00 H new ATOM 490 N LEU A 34 -6.855 -8.271 2.411 1.00 0.00 N ATOM 491 CA LEU A 34 -6.169 -7.289 3.251 1.00 0.00 C ATOM 492 C LEU A 34 -5.416 -8.001 4.365 1.00 0.00 C ATOM 493 O LEU A 34 -4.266 -7.689 4.641 1.00 0.00 O ATOM 494 CB LEU A 34 -7.173 -6.246 3.777 1.00 0.00 C ATOM 495 CG LEU A 34 -6.688 -5.410 4.986 1.00 0.00 C ATOM 496 CD1 LEU A 34 -7.262 -3.996 4.874 1.00 0.00 C ATOM 497 CD2 LEU A 34 -7.143 -5.980 6.339 1.00 0.00 C ATOM 0 H LEU A 34 -7.862 -8.111 2.372 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.431 -6.744 2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -7.424 -5.565 2.963 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.092 -6.760 4.058 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.598 -5.425 4.957 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.926 -3.399 5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.919 -3.536 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.351 -4.044 4.873 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.770 -5.347 7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.232 -6.008 6.374 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.750 -6.990 6.459 1.00 0.00 H new ATOM 509 N ARG A 35 -6.062 -8.975 4.995 1.00 0.00 N ATOM 510 CA ARG A 35 -5.473 -9.790 6.050 1.00 0.00 C ATOM 511 C ARG A 35 -4.320 -10.609 5.490 1.00 0.00 C ATOM 512 O ARG A 35 -3.269 -10.690 6.115 1.00 0.00 O ATOM 513 CB ARG A 35 -6.528 -10.705 6.659 1.00 0.00 C ATOM 514 CG ARG A 35 -6.071 -11.352 7.972 1.00 0.00 C ATOM 515 CD ARG A 35 -7.189 -12.307 8.368 1.00 0.00 C ATOM 516 NE ARG A 35 -6.900 -13.108 9.561 1.00 0.00 N ATOM 517 CZ ARG A 35 -7.673 -14.137 9.942 1.00 0.00 C ATOM 518 NH1 ARG A 35 -8.782 -14.450 9.266 1.00 0.00 N ATOM 519 NH2 ARG A 35 -7.322 -14.854 11.011 1.00 0.00 N ATOM 0 H ARG A 35 -7.028 -9.225 4.783 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.090 -9.135 6.832 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.438 -10.132 6.839 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -6.780 -11.487 5.943 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.129 -11.884 7.840 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.906 -10.600 8.743 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.098 -11.732 8.542 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.391 -12.978 7.533 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.081 -12.875 10.123 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.052 -13.904 8.448 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.359 -15.235 9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.475 -14.618 11.528 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.901 -15.639 11.311 1.00 0.00 H new ATOM 533 N THR A 36 -4.495 -11.200 4.315 1.00 0.00 N ATOM 534 CA THR A 36 -3.436 -11.925 3.622 1.00 0.00 C ATOM 535 C THR A 36 -2.232 -10.988 3.413 1.00 0.00 C ATOM 536 O THR A 36 -1.110 -11.310 3.817 1.00 0.00 O ATOM 537 CB THR A 36 -4.000 -12.534 2.325 1.00 0.00 C ATOM 538 OG1 THR A 36 -5.097 -13.376 2.640 1.00 0.00 O ATOM 539 CG2 THR A 36 -2.958 -13.378 1.586 1.00 0.00 C ATOM 0 H THR A 36 -5.382 -11.190 3.812 1.00 0.00 H new ATOM 0 HA THR A 36 -3.070 -12.763 4.215 1.00 0.00 H new ATOM 0 HB THR A 36 -4.302 -11.707 1.683 1.00 0.00 H new ATOM 0 HG1 THR A 36 -5.873 -12.827 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.400 -13.788 0.678 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.103 -12.754 1.325 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.628 -14.194 2.229 1.00 0.00 H new ATOM 547 N LEU A 37 -2.458 -9.784 2.876 1.00 0.00 N ATOM 548 CA LEU A 37 -1.385 -8.807 2.702 1.00 0.00 C ATOM 549 C LEU A 37 -0.858 -8.260 4.049 1.00 0.00 C ATOM 550 O LEU A 37 0.304 -7.878 4.143 1.00 0.00 O ATOM 551 CB LEU A 37 -1.807 -7.756 1.653 1.00 0.00 C ATOM 552 CG LEU A 37 -2.176 -6.352 2.180 1.00 0.00 C ATOM 553 CD1 LEU A 37 -0.964 -5.403 2.157 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.298 -5.743 1.331 1.00 0.00 C ATOM 0 H LEU A 37 -3.373 -9.466 2.556 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.500 -9.293 2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.993 -7.646 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.664 -8.149 1.105 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.510 -6.470 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.261 -4.425 2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.172 -5.809 2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.600 -5.302 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.548 -4.754 1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.966 -5.659 0.296 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.179 -6.383 1.379 1.00 0.00 H new ATOM 566 N GLN A 38 -1.648 -8.299 5.127 1.00 0.00 N ATOM 567 CA GLN A 38 -1.192 -8.036 6.489 1.00 0.00 C ATOM 568 C GLN A 38 -0.241 -9.154 6.948 1.00 0.00 C ATOM 569 O GLN A 38 0.710 -8.879 7.678 1.00 0.00 O ATOM 570 CB GLN A 38 -2.410 -7.844 7.404 1.00 0.00 C ATOM 571 CG GLN A 38 -2.178 -7.875 8.922 1.00 0.00 C ATOM 572 CD GLN A 38 -3.494 -8.237 9.605 1.00 0.00 C ATOM 573 OE1 GLN A 38 -3.676 -9.362 10.065 1.00 0.00 O ATOM 574 NE2 GLN A 38 -4.458 -7.324 9.599 1.00 0.00 N ATOM 0 H GLN A 38 -2.642 -8.519 5.072 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.616 -7.112 6.534 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.868 -6.887 7.155 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.137 -8.619 7.161 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.408 -8.604 9.173 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.824 -6.905 9.271 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.281 -6.397 9.211 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -5.376 -7.549 9.982 1.00 0.00 H new ATOM 583 N GLN A 39 -0.428 -10.401 6.497 1.00 0.00 N ATOM 584 CA GLN A 39 0.551 -11.447 6.748 1.00 0.00 C ATOM 585 C GLN A 39 1.823 -11.174 5.934 1.00 0.00 C ATOM 586 O GLN A 39 2.917 -11.389 6.446 1.00 0.00 O ATOM 587 CB GLN A 39 0.005 -12.859 6.507 1.00 0.00 C ATOM 588 CG GLN A 39 -1.376 -13.149 7.116 1.00 0.00 C ATOM 589 CD GLN A 39 -1.632 -12.553 8.508 1.00 0.00 C ATOM 590 OE1 GLN A 39 -1.099 -13.019 9.507 1.00 0.00 O ATOM 591 NE2 GLN A 39 -2.477 -11.530 8.579 1.00 0.00 N ATOM 0 H GLN A 39 -1.243 -10.701 5.962 1.00 0.00 H new ATOM 0 HA GLN A 39 0.798 -11.417 7.809 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.049 -13.030 5.432 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.718 -13.579 6.909 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.139 -12.772 6.435 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -1.506 -14.230 7.175 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.906 -11.163 7.729 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.697 -11.112 9.483 1.00 0.00 H new ATOM 600 N LEU A 40 1.704 -10.627 4.713 1.00 0.00 N ATOM 601 CA LEU A 40 2.868 -10.125 3.963 1.00 0.00 C ATOM 602 C LEU A 40 3.574 -8.954 4.696 1.00 0.00 C ATOM 603 O LEU A 40 4.795 -8.806 4.618 1.00 0.00 O ATOM 604 CB LEU A 40 2.485 -9.756 2.517 1.00 0.00 C ATOM 605 CG LEU A 40 1.857 -10.903 1.695 1.00 0.00 C ATOM 606 CD1 LEU A 40 1.397 -10.381 0.331 1.00 0.00 C ATOM 607 CD2 LEU A 40 2.817 -12.078 1.469 1.00 0.00 C ATOM 0 H LEU A 40 0.815 -10.521 4.225 1.00 0.00 H new ATOM 0 HA LEU A 40 3.593 -10.937 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.783 -8.922 2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.377 -9.404 1.999 1.00 0.00 H new ATOM 0 HG LEU A 40 1.013 -11.269 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.956 -11.197 -0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.655 -9.595 0.473 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.252 -9.979 -0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.316 -12.850 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.698 -11.730 0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.121 -12.490 2.431 1.00 0.00 H new ATOM 619 N PHE A 41 2.827 -8.167 5.479 1.00 0.00 N ATOM 620 CA PHE A 41 3.328 -7.131 6.393 1.00 0.00 C ATOM 621 C PHE A 41 4.159 -7.768 7.504 1.00 0.00 C ATOM 622 O PHE A 41 5.286 -7.353 7.763 1.00 0.00 O ATOM 623 CB PHE A 41 2.139 -6.331 6.956 1.00 0.00 C ATOM 624 CG PHE A 41 2.245 -4.822 6.974 1.00 0.00 C ATOM 625 CD1 PHE A 41 3.152 -4.174 7.833 1.00 0.00 C ATOM 626 CD2 PHE A 41 1.365 -4.059 6.181 1.00 0.00 C ATOM 627 CE1 PHE A 41 3.206 -2.769 7.866 1.00 0.00 C ATOM 628 CE2 PHE A 41 1.399 -2.658 6.238 1.00 0.00 C ATOM 629 CZ PHE A 41 2.332 -2.012 7.066 1.00 0.00 C ATOM 0 H PHE A 41 1.810 -8.237 5.494 1.00 0.00 H new ATOM 0 HA PHE A 41 3.978 -6.442 5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.254 -6.597 6.378 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.965 -6.666 7.979 1.00 0.00 H new ATOM 0 HD1 PHE A 41 3.806 -4.755 8.466 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.662 -4.554 5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.919 -2.271 8.506 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.708 -2.076 5.646 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.378 -0.933 7.088 1.00 0.00 H new ATOM 639 N LEU A 42 3.600 -8.798 8.147 1.00 0.00 N ATOM 640 CA LEU A 42 4.262 -9.565 9.197 1.00 0.00 C ATOM 641 C LEU A 42 5.460 -10.369 8.669 1.00 0.00 C ATOM 642 O LEU A 42 6.373 -10.659 9.437 1.00 0.00 O ATOM 643 CB LEU A 42 3.225 -10.490 9.856 1.00 0.00 C ATOM 644 CG LEU A 42 2.204 -9.748 10.745 1.00 0.00 C ATOM 645 CD1 LEU A 42 1.034 -10.678 11.086 1.00 0.00 C ATOM 646 CD2 LEU A 42 2.837 -9.245 12.050 1.00 0.00 C ATOM 0 H LEU A 42 2.655 -9.125 7.945 1.00 0.00 H new ATOM 0 HA LEU A 42 4.666 -8.870 9.933 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.688 -11.032 9.077 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.746 -11.233 10.460 1.00 0.00 H new ATOM 0 HG LEU A 42 1.851 -8.885 10.181 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.318 -10.147 11.713 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.544 -10.998 10.167 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.407 -11.551 11.621 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.083 -8.729 12.645 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.228 -10.091 12.615 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.650 -8.557 11.818 1.00 0.00 H new ATOM 658 N SER A 43 5.457 -10.718 7.379 1.00 0.00 N ATOM 659 CA SER A 43 6.559 -11.300 6.625 1.00 0.00 C ATOM 660 C SER A 43 7.690 -10.274 6.495 1.00 0.00 C ATOM 661 O SER A 43 8.634 -10.335 7.283 1.00 0.00 O ATOM 662 CB SER A 43 5.991 -11.806 5.291 1.00 0.00 C ATOM 663 OG SER A 43 6.923 -12.029 4.259 1.00 0.00 O ATOM 0 H SER A 43 4.627 -10.591 6.800 1.00 0.00 H new ATOM 0 HA SER A 43 7.008 -12.156 7.129 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.458 -12.738 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.255 -11.084 4.937 1.00 0.00 H new ATOM 0 HG SER A 43 6.902 -11.277 3.631 1.00 0.00 H new ATOM 669 N THR A 44 7.615 -9.342 5.530 1.00 0.00 N ATOM 670 CA THR A 44 8.635 -8.314 5.325 1.00 0.00 C ATOM 671 C THR A 44 8.123 -6.915 5.002 1.00 0.00 C ATOM 672 O THR A 44 8.901 -5.966 5.070 1.00 0.00 O ATOM 673 CB THR A 44 9.733 -8.732 4.314 1.00 0.00 C ATOM 674 OG1 THR A 44 9.343 -8.961 2.962 1.00 0.00 O ATOM 675 CG2 THR A 44 10.401 -10.021 4.766 1.00 0.00 C ATOM 0 H THR A 44 6.839 -9.285 4.870 1.00 0.00 H new ATOM 0 HA THR A 44 9.080 -8.239 6.317 1.00 0.00 H new ATOM 0 HB THR A 44 10.378 -7.854 4.313 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.683 -8.288 2.693 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.170 -10.304 4.047 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.857 -9.871 5.745 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.656 -10.814 4.830 1.00 0.00 H new ATOM 683 N LEU A 45 6.856 -6.788 4.621 1.00 0.00 N ATOM 684 CA LEU A 45 6.342 -5.562 4.015 1.00 0.00 C ATOM 685 C LEU A 45 6.205 -4.422 5.024 1.00 0.00 C ATOM 686 O LEU A 45 5.294 -4.434 5.844 1.00 0.00 O ATOM 687 CB LEU A 45 5.041 -5.848 3.238 1.00 0.00 C ATOM 688 CG LEU A 45 4.595 -4.690 2.327 1.00 0.00 C ATOM 689 CD1 LEU A 45 3.890 -5.269 1.099 1.00 0.00 C ATOM 690 CD2 LEU A 45 3.617 -3.729 3.007 1.00 0.00 C ATOM 0 H LEU A 45 6.159 -7.526 4.722 1.00 0.00 H new ATOM 0 HA LEU A 45 7.078 -5.209 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.180 -6.743 2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.244 -6.066 3.949 1.00 0.00 H new ATOM 0 HG LEU A 45 5.495 -4.132 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.570 -4.457 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.577 -5.920 0.558 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.020 -5.844 1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.342 -2.936 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.722 -4.273 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.089 -3.292 3.887 1.00 0.00 H new ATOM 702 N SER A 46 7.061 -3.401 4.929 1.00 0.00 N ATOM 703 CA SER A 46 6.823 -2.080 5.485 1.00 0.00 C ATOM 704 C SER A 46 6.268 -1.173 4.374 1.00 0.00 C ATOM 705 O SER A 46 6.116 -1.579 3.216 1.00 0.00 O ATOM 706 CB SER A 46 8.100 -1.553 6.172 1.00 0.00 C ATOM 707 OG SER A 46 9.295 -1.942 5.525 1.00 0.00 O ATOM 0 H SER A 46 7.958 -3.479 4.450 1.00 0.00 H new ATOM 0 HA SER A 46 6.070 -2.106 6.273 1.00 0.00 H new ATOM 0 HB2 SER A 46 8.057 -0.465 6.213 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.122 -1.910 7.202 1.00 0.00 H new ATOM 0 HG SER A 46 9.930 -1.195 5.533 1.00 0.00 H new ATOM 713 N PHE A 47 5.922 0.066 4.731 1.00 0.00 N ATOM 714 CA PHE A 47 5.249 1.013 3.854 1.00 0.00 C ATOM 715 C PHE A 47 5.995 2.337 3.818 1.00 0.00 C ATOM 716 O PHE A 47 6.561 2.797 4.816 1.00 0.00 O ATOM 717 CB PHE A 47 3.782 1.209 4.259 1.00 0.00 C ATOM 718 CG PHE A 47 2.822 0.622 3.246 1.00 0.00 C ATOM 719 CD1 PHE A 47 2.502 1.332 2.072 1.00 0.00 C ATOM 720 CD2 PHE A 47 2.263 -0.647 3.465 1.00 0.00 C ATOM 721 CE1 PHE A 47 1.601 0.783 1.143 1.00 0.00 C ATOM 722 CE2 PHE A 47 1.352 -1.191 2.543 1.00 0.00 C ATOM 723 CZ PHE A 47 1.025 -0.478 1.380 1.00 0.00 C ATOM 0 H PHE A 47 6.109 0.442 5.660 1.00 0.00 H new ATOM 0 HA PHE A 47 5.253 0.597 2.847 1.00 0.00 H new ATOM 0 HB2 PHE A 47 3.611 0.745 5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 47 3.579 2.274 4.374 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.949 2.298 1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.534 -1.208 4.347 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.351 1.330 0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.905 -2.156 2.730 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.331 -0.897 0.667 1.00 0.00 H new ATOM 733 N VAL A 48 5.999 2.909 2.613 1.00 0.00 N ATOM 734 CA VAL A 48 6.874 3.963 2.168 1.00 0.00 C ATOM 735 C VAL A 48 6.026 4.904 1.289 1.00 0.00 C ATOM 736 O VAL A 48 5.952 4.762 0.073 1.00 0.00 O ATOM 737 CB VAL A 48 8.124 3.292 1.538 1.00 0.00 C ATOM 738 CG1 VAL A 48 9.116 4.205 0.815 1.00 0.00 C ATOM 739 CG2 VAL A 48 8.974 2.632 2.636 1.00 0.00 C ATOM 0 H VAL A 48 5.345 2.621 1.885 1.00 0.00 H new ATOM 0 HA VAL A 48 7.284 4.608 2.945 1.00 0.00 H new ATOM 0 HB VAL A 48 7.678 2.616 0.808 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.940 3.609 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.611 4.711 -0.008 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.504 4.946 1.514 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.849 2.163 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 48 9.295 3.389 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.381 1.875 3.150 1.00 0.00 H new ATOM 749 N CYS A 49 5.317 5.834 1.945 1.00 0.00 N ATOM 750 CA CYS A 49 4.374 6.806 1.363 1.00 0.00 C ATOM 751 C CYS A 49 5.025 7.658 0.253 1.00 0.00 C ATOM 752 O CYS A 49 6.244 7.813 0.246 1.00 0.00 O ATOM 753 CB CYS A 49 3.863 7.687 2.514 1.00 0.00 C ATOM 754 SG CYS A 49 5.133 8.386 3.608 1.00 0.00 S ATOM 0 H CYS A 49 5.389 5.936 2.957 1.00 0.00 H new ATOM 0 HA CYS A 49 3.549 6.279 0.883 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.287 8.508 2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 49 3.176 7.096 3.119 1.00 0.00 H new ATOM 759 N PRO A 50 4.250 8.282 -0.661 1.00 0.00 N ATOM 760 CA PRO A 50 4.808 8.928 -1.855 1.00 0.00 C ATOM 761 C PRO A 50 5.837 10.040 -1.576 1.00 0.00 C ATOM 762 O PRO A 50 6.727 10.274 -2.403 1.00 0.00 O ATOM 763 CB PRO A 50 3.613 9.424 -2.679 1.00 0.00 C ATOM 764 CG PRO A 50 2.436 9.394 -1.705 1.00 0.00 C ATOM 765 CD PRO A 50 2.796 8.251 -0.760 1.00 0.00 C ATOM 0 HA PRO A 50 5.401 8.198 -2.407 1.00 0.00 H new ATOM 0 HB2 PRO A 50 3.785 10.430 -3.062 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.431 8.782 -3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.330 10.339 -1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.492 9.210 -2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.332 8.386 0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.448 7.294 -1.149 1.00 0.00 H new ATOM 773 N TRP A 51 5.760 10.681 -0.402 1.00 0.00 N ATOM 774 CA TRP A 51 6.742 11.644 0.073 1.00 0.00 C ATOM 775 C TRP A 51 8.126 10.996 0.152 1.00 0.00 C ATOM 776 O TRP A 51 9.018 11.409 -0.588 1.00 0.00 O ATOM 777 CB TRP A 51 6.305 12.245 1.420 1.00 0.00 C ATOM 778 CG TRP A 51 7.308 13.149 2.076 1.00 0.00 C ATOM 779 CD1 TRP A 51 8.276 13.845 1.437 1.00 0.00 C ATOM 780 CD2 TRP A 51 7.497 13.436 3.497 1.00 0.00 C ATOM 781 NE1 TRP A 51 9.082 14.481 2.353 1.00 0.00 N ATOM 782 CE2 TRP A 51 8.646 14.271 3.644 1.00 0.00 C ATOM 783 CE3 TRP A 51 6.820 13.064 4.680 1.00 0.00 C ATOM 784 CZ2 TRP A 51 9.114 14.691 4.899 1.00 0.00 C ATOM 785 CZ3 TRP A 51 7.274 13.489 5.944 1.00 0.00 C ATOM 786 CH2 TRP A 51 8.421 14.294 6.056 1.00 0.00 C ATOM 0 H TRP A 51 4.992 10.535 0.253 1.00 0.00 H new ATOM 0 HA TRP A 51 6.807 12.467 -0.639 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.382 12.804 1.267 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.073 11.429 2.105 1.00 0.00 H new ATOM 0 HD1 TRP A 51 8.398 13.894 0.365 1.00 0.00 H new ATOM 0 HE1 TRP A 51 9.900 15.038 2.108 1.00 0.00 H new ATOM 0 HE3 TRP A 51 5.939 12.443 4.614 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 9.995 15.311 4.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.737 13.194 6.833 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.769 14.607 7.029 1.00 0.00 H new ATOM 797 N CYS A 52 8.324 9.981 1.004 1.00 0.00 N ATOM 798 CA CYS A 52 9.596 9.266 1.031 1.00 0.00 C ATOM 799 C CYS A 52 9.811 8.433 -0.211 1.00 0.00 C ATOM 800 O CYS A 52 10.959 8.166 -0.547 1.00 0.00 O ATOM 801 CB CYS A 52 9.714 8.315 2.203 1.00 0.00 C ATOM 802 SG CYS A 52 8.299 7.240 2.492 1.00 0.00 S ATOM 0 H CYS A 52 7.629 9.645 1.671 1.00 0.00 H new ATOM 0 HA CYS A 52 10.343 10.056 1.107 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.595 7.691 2.052 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.890 8.901 3.105 1.00 0.00 H new ATOM 807 N ALA A 53 8.758 8.023 -0.919 1.00 0.00 N ATOM 808 CA ALA A 53 9.000 7.301 -2.145 1.00 0.00 C ATOM 809 C ALA A 53 9.839 8.164 -3.093 1.00 0.00 C ATOM 810 O ALA A 53 10.765 7.652 -3.729 1.00 0.00 O ATOM 811 CB ALA A 53 7.699 6.896 -2.827 1.00 0.00 C ATOM 0 H ALA A 53 7.780 8.173 -0.673 1.00 0.00 H new ATOM 0 HA ALA A 53 9.542 6.388 -1.897 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.923 6.355 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 53 7.123 6.255 -2.160 1.00 0.00 H new ATOM 0 HB3 ALA A 53 7.119 7.788 -3.063 1.00 0.00 H new ATOM 817 N THR A 54 9.528 9.465 -3.106 1.00 0.00 N ATOM 818 CA THR A 54 10.231 10.526 -3.803 1.00 0.00 C ATOM 819 C THR A 54 11.553 10.885 -3.093 1.00 0.00 C ATOM 820 O THR A 54 12.615 10.784 -3.699 1.00 0.00 O ATOM 821 CB THR A 54 9.273 11.734 -3.919 1.00 0.00 C ATOM 822 OG1 THR A 54 8.003 11.335 -4.401 1.00 0.00 O ATOM 823 CG2 THR A 54 9.822 12.806 -4.866 1.00 0.00 C ATOM 0 H THR A 54 8.722 9.819 -2.592 1.00 0.00 H new ATOM 0 HA THR A 54 10.517 10.199 -4.803 1.00 0.00 H new ATOM 0 HB THR A 54 9.181 12.147 -2.915 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.478 10.956 -3.665 1.00 0.00 H new ATOM 0 HG21 THR A 54 9.120 13.638 -4.920 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.781 13.165 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.956 12.379 -5.860 1.00 0.00 H new ATOM 831 N ASN A 55 11.499 11.357 -1.836 1.00 0.00 N ATOM 832 CA ASN A 55 12.627 11.985 -1.119 1.00 0.00 C ATOM 833 C ASN A 55 13.636 10.974 -0.573 1.00 0.00 C ATOM 834 O ASN A 55 14.822 11.281 -0.488 1.00 0.00 O ATOM 835 CB ASN A 55 12.115 12.788 0.099 1.00 0.00 C ATOM 836 CG ASN A 55 11.376 14.081 -0.219 1.00 0.00 C ATOM 837 OD1 ASN A 55 11.235 14.951 0.634 1.00 0.00 O ATOM 838 ND2 ASN A 55 10.849 14.224 -1.425 1.00 0.00 N ATOM 0 H ASN A 55 10.649 11.312 -1.274 1.00 0.00 H new ATOM 0 HA ASN A 55 13.115 12.621 -1.858 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.452 12.147 0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.966 13.026 0.736 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.319 15.065 -1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.973 13.493 -2.126 1.00 0.00 H new ATOM 845 N GLN A 56 13.121 9.802 -0.198 1.00 0.00 N ATOM 846 CA GLN A 56 13.665 8.792 0.708 1.00 0.00 C ATOM 847 C GLN A 56 13.554 9.249 2.162 1.00 0.00 C ATOM 848 O GLN A 56 12.981 8.485 2.972 1.00 0.00 O ATOM 849 CB GLN A 56 15.066 8.334 0.281 1.00 0.00 C ATOM 850 CG GLN A 56 15.447 6.985 0.912 1.00 0.00 C ATOM 851 CD GLN A 56 15.980 6.006 -0.129 1.00 0.00 C ATOM 852 OE1 GLN A 56 15.222 5.506 -0.961 1.00 0.00 O ATOM 853 NE2 GLN A 56 17.273 5.714 -0.108 1.00 0.00 N ATOM 0 H GLN A 56 12.215 9.507 -0.562 1.00 0.00 H new ATOM 0 HA GLN A 56 13.055 7.891 0.638 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.105 8.250 -0.805 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.798 9.089 0.569 1.00 0.00 H new ATOM 0 HG2 GLN A 56 16.202 7.144 1.682 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.575 6.554 1.404 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.881 6.141 0.591 1.00 0.00 H new ATOM 0 HE22 GLN A 56 17.660 5.062 -0.791 1.00 0.00 H new TER 862 GLN A 56 ATOM 863 N GLY B 1 14.018 9.823 5.111 1.00 0.00 N ATOM 864 CA GLY B 1 15.058 9.254 5.981 1.00 0.00 C ATOM 865 C GLY B 1 15.708 8.048 5.320 1.00 0.00 C ATOM 866 O GLY B 1 16.087 8.124 4.157 1.00 0.00 O ATOM 0 H1 GLY B 1 13.340 10.361 5.687 1.00 0.00 H new ATOM 0 H2 GLY B 1 14.458 10.456 4.413 1.00 0.00 H new ATOM 0 H3 GLY B 1 13.520 9.055 4.617 1.00 0.00 H new ATOM 0 HA2 GLY B 1 15.814 10.009 6.195 1.00 0.00 H new ATOM 0 HA3 GLY B 1 14.621 8.961 6.936 1.00 0.00 H new ATOM 870 N SER B 2 15.805 6.934 6.060 1.00 0.00 N ATOM 871 CA SER B 2 16.420 5.672 5.639 1.00 0.00 C ATOM 872 C SER B 2 17.935 5.776 5.438 1.00 0.00 C ATOM 873 O SER B 2 18.550 6.839 5.467 1.00 0.00 O ATOM 874 CB SER B 2 15.762 5.161 4.336 1.00 0.00 C ATOM 875 OG SER B 2 15.835 3.750 4.154 1.00 0.00 O ATOM 0 H SER B 2 15.439 6.889 7.011 1.00 0.00 H new ATOM 0 HA SER B 2 16.250 4.964 6.450 1.00 0.00 H new ATOM 0 HB2 SER B 2 14.714 5.462 4.330 1.00 0.00 H new ATOM 0 HB3 SER B 2 16.239 5.650 3.487 1.00 0.00 H new ATOM 0 HG SER B 2 16.717 3.511 3.801 1.00 0.00 H new ATOM 881 N HIS B 3 18.501 4.600 5.196 1.00 0.00 N ATOM 882 CA HIS B 3 19.769 4.333 4.552 1.00 0.00 C ATOM 883 C HIS B 3 19.464 3.167 3.585 1.00 0.00 C ATOM 884 O HIS B 3 18.283 2.883 3.344 1.00 0.00 O ATOM 885 CB HIS B 3 20.841 4.029 5.616 1.00 0.00 C ATOM 886 CG HIS B 3 22.243 3.995 5.059 1.00 0.00 C ATOM 887 ND1 HIS B 3 23.043 2.879 4.922 1.00 0.00 N ATOM 888 CD2 HIS B 3 22.922 5.061 4.533 1.00 0.00 C ATOM 889 CE1 HIS B 3 24.180 3.273 4.321 1.00 0.00 C ATOM 890 NE2 HIS B 3 24.147 4.588 4.058 1.00 0.00 N ATOM 0 H HIS B 3 18.037 3.735 5.473 1.00 0.00 H new ATOM 0 HA HIS B 3 20.183 5.173 3.994 1.00 0.00 H new ATOM 0 HB2 HIS B 3 20.788 4.783 6.401 1.00 0.00 H new ATOM 0 HB3 HIS B 3 20.619 3.069 6.081 1.00 0.00 H new ATOM 0 HD1 HIS B 3 22.814 1.931 5.221 1.00 0.00 H new ATOM 0 HD2 HIS B 3 22.573 6.082 4.493 1.00 0.00 H new ATOM 0 HE1 HIS B 3 25.007 2.620 4.083 1.00 0.00 H new ATOM 898 N MET B 4 20.519 2.522 3.071 1.00 0.00 N ATOM 899 CA MET B 4 20.586 1.180 2.489 1.00 0.00 C ATOM 900 C MET B 4 19.525 0.842 1.423 1.00 0.00 C ATOM 901 O MET B 4 18.381 0.505 1.726 1.00 0.00 O ATOM 902 CB MET B 4 20.658 0.133 3.623 1.00 0.00 C ATOM 903 CG MET B 4 21.794 -0.871 3.399 1.00 0.00 C ATOM 904 SD MET B 4 23.460 -0.174 3.567 1.00 0.00 S ATOM 905 CE MET B 4 24.432 -1.649 3.167 1.00 0.00 C ATOM 0 H MET B 4 21.434 2.972 3.052 1.00 0.00 H new ATOM 0 HA MET B 4 21.504 1.154 1.902 1.00 0.00 H new ATOM 0 HB2 MET B 4 20.804 0.640 4.577 1.00 0.00 H new ATOM 0 HB3 MET B 4 19.709 -0.400 3.687 1.00 0.00 H new ATOM 0 HG2 MET B 4 21.683 -1.690 4.110 1.00 0.00 H new ATOM 0 HG3 MET B 4 21.692 -1.299 2.402 1.00 0.00 H new ATOM 0 HE1 MET B 4 25.494 -1.410 3.220 1.00 0.00 H new ATOM 0 HE2 MET B 4 24.202 -2.441 3.880 1.00 0.00 H new ATOM 0 HE3 MET B 4 24.185 -1.985 2.160 1.00 0.00 H new ATOM 915 N ALA B 5 19.933 0.877 0.148 1.00 0.00 N ATOM 916 CA ALA B 5 19.146 0.461 -1.011 1.00 0.00 C ATOM 917 C ALA B 5 18.970 -1.072 -1.078 1.00 0.00 C ATOM 918 O ALA B 5 19.359 -1.710 -2.056 1.00 0.00 O ATOM 919 CB ALA B 5 19.814 1.022 -2.276 1.00 0.00 C ATOM 0 H ALA B 5 20.861 1.211 -0.111 1.00 0.00 H new ATOM 0 HA ALA B 5 18.137 0.864 -0.925 1.00 0.00 H new ATOM 0 HB1 ALA B 5 19.241 0.722 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA B 5 19.847 2.110 -2.218 1.00 0.00 H new ATOM 0 HB3 ALA B 5 20.829 0.632 -2.355 1.00 0.00 H new ATOM 925 N GLU B 6 18.415 -1.671 -0.023 1.00 0.00 N ATOM 926 CA GLU B 6 18.176 -3.110 0.080 1.00 0.00 C ATOM 927 C GLU B 6 16.930 -3.528 -0.727 1.00 0.00 C ATOM 928 O GLU B 6 16.057 -2.688 -0.975 1.00 0.00 O ATOM 929 CB GLU B 6 18.059 -3.484 1.569 1.00 0.00 C ATOM 930 CG GLU B 6 19.452 -3.440 2.212 1.00 0.00 C ATOM 931 CD GLU B 6 19.435 -3.837 3.689 1.00 0.00 C ATOM 932 OE1 GLU B 6 19.536 -5.055 3.956 1.00 0.00 O ATOM 933 OE2 GLU B 6 19.363 -2.913 4.529 1.00 0.00 O ATOM 0 H GLU B 6 18.112 -1.155 0.803 1.00 0.00 H new ATOM 0 HA GLU B 6 19.013 -3.656 -0.354 1.00 0.00 H new ATOM 0 HB2 GLU B 6 17.388 -2.792 2.078 1.00 0.00 H new ATOM 0 HB3 GLU B 6 17.629 -4.480 1.673 1.00 0.00 H new ATOM 0 HG2 GLU B 6 20.120 -4.109 1.668 1.00 0.00 H new ATOM 0 HG3 GLU B 6 19.860 -2.434 2.115 1.00 0.00 H new ATOM 940 N PRO B 7 16.820 -4.812 -1.139 1.00 0.00 N ATOM 941 CA PRO B 7 15.761 -5.321 -2.016 1.00 0.00 C ATOM 942 C PRO B 7 14.423 -5.500 -1.278 1.00 0.00 C ATOM 943 O PRO B 7 13.829 -6.581 -1.274 1.00 0.00 O ATOM 944 CB PRO B 7 16.326 -6.624 -2.600 1.00 0.00 C ATOM 945 CG PRO B 7 17.178 -7.156 -1.452 1.00 0.00 C ATOM 946 CD PRO B 7 17.789 -5.875 -0.887 1.00 0.00 C ATOM 0 HA PRO B 7 15.510 -4.618 -2.810 1.00 0.00 H new ATOM 0 HB2 PRO B 7 15.535 -7.322 -2.876 1.00 0.00 H new ATOM 0 HB3 PRO B 7 16.919 -6.444 -3.496 1.00 0.00 H new ATOM 0 HG2 PRO B 7 16.579 -7.683 -0.710 1.00 0.00 H new ATOM 0 HG3 PRO B 7 17.941 -7.853 -1.799 1.00 0.00 H new ATOM 0 HD2 PRO B 7 17.986 -5.976 0.180 1.00 0.00 H new ATOM 0 HD3 PRO B 7 18.742 -5.654 -1.368 1.00 0.00 H new ATOM 954 N GLN B 8 13.933 -4.408 -0.688 1.00 0.00 N ATOM 955 CA GLN B 8 12.629 -4.286 -0.060 1.00 0.00 C ATOM 956 C GLN B 8 11.910 -3.062 -0.636 1.00 0.00 C ATOM 957 O GLN B 8 10.813 -3.211 -1.160 1.00 0.00 O ATOM 958 CB GLN B 8 12.754 -4.240 1.476 1.00 0.00 C ATOM 959 CG GLN B 8 12.795 -5.622 2.159 1.00 0.00 C ATOM 960 CD GLN B 8 14.020 -6.477 1.823 1.00 0.00 C ATOM 961 OE1 GLN B 8 15.138 -5.983 1.728 1.00 0.00 O ATOM 962 NE2 GLN B 8 13.853 -7.785 1.651 1.00 0.00 N ATOM 0 H GLN B 8 14.469 -3.542 -0.636 1.00 0.00 H new ATOM 0 HA GLN B 8 12.026 -5.167 -0.282 1.00 0.00 H new ATOM 0 HB2 GLN B 8 13.660 -3.693 1.737 1.00 0.00 H new ATOM 0 HB3 GLN B 8 11.913 -3.675 1.879 1.00 0.00 H new ATOM 0 HG2 GLN B 8 12.757 -5.478 3.239 1.00 0.00 H new ATOM 0 HG3 GLN B 8 11.898 -6.175 1.880 1.00 0.00 H new ATOM 0 HE21 GLN B 8 12.922 -8.195 1.730 1.00 0.00 H new ATOM 0 HE22 GLN B 8 14.655 -8.378 1.440 1.00 0.00 H new ATOM 971 N ARG B 9 12.490 -1.857 -0.544 1.00 0.00 N ATOM 972 CA ARG B 9 11.941 -0.591 -1.053 1.00 0.00 C ATOM 973 C ARG B 9 11.632 -0.658 -2.554 1.00 0.00 C ATOM 974 O ARG B 9 12.469 -0.302 -3.383 1.00 0.00 O ATOM 975 CB ARG B 9 12.910 0.544 -0.659 1.00 0.00 C ATOM 976 CG ARG B 9 12.435 1.972 -0.904 1.00 0.00 C ATOM 977 CD ARG B 9 12.850 2.584 -2.256 1.00 0.00 C ATOM 978 NE ARG B 9 13.151 4.023 -2.133 1.00 0.00 N ATOM 979 CZ ARG B 9 12.489 5.081 -2.620 1.00 0.00 C ATOM 980 NH1 ARG B 9 11.357 4.965 -3.309 1.00 0.00 N ATOM 981 NH2 ARG B 9 12.985 6.294 -2.409 1.00 0.00 N ATOM 0 H ARG B 9 13.396 -1.732 -0.092 1.00 0.00 H new ATOM 0 HA ARG B 9 10.973 -0.386 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG B 9 13.141 0.440 0.401 1.00 0.00 H new ATOM 0 HB3 ARG B 9 13.843 0.398 -1.204 1.00 0.00 H new ATOM 0 HG2 ARG B 9 11.347 1.992 -0.834 1.00 0.00 H new ATOM 0 HG3 ARG B 9 12.818 2.606 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG B 9 13.726 2.060 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG B 9 12.050 2.440 -2.982 1.00 0.00 H new ATOM 0 HE ARG B 9 13.989 4.246 -1.596 1.00 0.00 H new ATOM 0 HH11 ARG B 9 10.959 4.042 -3.485 1.00 0.00 H new ATOM 0 HH12 ARG B 9 10.887 5.799 -3.661 1.00 0.00 H new ATOM 0 HH21 ARG B 9 13.853 6.406 -1.885 1.00 0.00 H new ATOM 0 HH22 ARG B 9 12.498 7.114 -2.770 1.00 0.00 H new ATOM 995 N HIS B 10 10.420 -1.096 -2.906 1.00 0.00 N ATOM 996 CA HIS B 10 10.023 -1.467 -4.256 1.00 0.00 C ATOM 997 C HIS B 10 8.791 -0.672 -4.680 1.00 0.00 C ATOM 998 O HIS B 10 8.095 -0.096 -3.848 1.00 0.00 O ATOM 999 CB HIS B 10 9.752 -2.976 -4.299 1.00 0.00 C ATOM 1000 CG HIS B 10 10.949 -3.877 -4.109 1.00 0.00 C ATOM 1001 ND1 HIS B 10 10.926 -5.184 -3.679 1.00 0.00 N ATOM 1002 CD2 HIS B 10 12.259 -3.540 -4.288 1.00 0.00 C ATOM 1003 CE1 HIS B 10 12.192 -5.630 -3.667 1.00 0.00 C ATOM 1004 NE2 HIS B 10 13.044 -4.664 -4.038 1.00 0.00 N ATOM 0 H HIS B 10 9.664 -1.204 -2.229 1.00 0.00 H new ATOM 0 HA HIS B 10 10.824 -1.233 -4.957 1.00 0.00 H new ATOM 0 HB2 HIS B 10 9.019 -3.214 -3.528 1.00 0.00 H new ATOM 0 HB3 HIS B 10 9.294 -3.214 -5.259 1.00 0.00 H new ATOM 0 HD1 HIS B 10 10.097 -5.717 -3.417 1.00 0.00 H new ATOM 0 HD2 HIS B 10 12.626 -2.566 -4.575 1.00 0.00 H new ATOM 0 HE1 HIS B 10 12.485 -6.633 -3.395 1.00 0.00 H new ATOM 1012 N LYS B 11 8.544 -0.611 -5.993 1.00 0.00 N ATOM 1013 CA LYS B 11 7.699 0.399 -6.621 1.00 0.00 C ATOM 1014 C LYS B 11 6.802 -0.277 -7.654 1.00 0.00 C ATOM 1015 O LYS B 11 7.195 -0.425 -8.810 1.00 0.00 O ATOM 1016 CB LYS B 11 8.583 1.491 -7.251 1.00 0.00 C ATOM 1017 CG LYS B 11 9.337 2.359 -6.222 1.00 0.00 C ATOM 1018 CD LYS B 11 10.868 2.232 -6.302 1.00 0.00 C ATOM 1019 CE LYS B 11 11.478 2.770 -7.608 1.00 0.00 C ATOM 1020 NZ LYS B 11 11.306 4.231 -7.770 1.00 0.00 N ATOM 0 H LYS B 11 8.936 -1.278 -6.658 1.00 0.00 H new ATOM 0 HA LYS B 11 7.060 0.880 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS B 11 9.308 1.019 -7.914 1.00 0.00 H new ATOM 0 HB3 LYS B 11 7.959 2.137 -7.869 1.00 0.00 H new ATOM 0 HG2 LYS B 11 9.061 3.403 -6.370 1.00 0.00 H new ATOM 0 HG3 LYS B 11 9.011 2.082 -5.219 1.00 0.00 H new ATOM 0 HD2 LYS B 11 11.310 2.766 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS B 11 11.141 1.182 -6.192 1.00 0.00 H new ATOM 0 HE2 LYS B 11 12.541 2.531 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS B 11 11.018 2.260 -8.454 1.00 0.00 H new ATOM 0 HZ1 LYS B 11 12.043 4.599 -8.405 1.00 0.00 H new ATOM 0 HZ2 LYS B 11 10.369 4.427 -8.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 11 11.386 4.695 -6.843 1.00 0.00 H new ATOM 1034 N ILE B 12 5.613 -0.720 -7.239 1.00 0.00 N ATOM 1035 CA ILE B 12 4.631 -1.298 -8.149 1.00 0.00 C ATOM 1036 C ILE B 12 3.850 -0.126 -8.746 1.00 0.00 C ATOM 1037 O ILE B 12 2.986 0.438 -8.086 1.00 0.00 O ATOM 1038 CB ILE B 12 3.676 -2.291 -7.442 1.00 0.00 C ATOM 1039 CG1 ILE B 12 4.369 -3.300 -6.506 1.00 0.00 C ATOM 1040 CG2 ILE B 12 2.829 -2.996 -8.521 1.00 0.00 C ATOM 1041 CD1 ILE B 12 3.348 -4.051 -5.640 1.00 0.00 C ATOM 0 H ILE B 12 5.308 -0.687 -6.266 1.00 0.00 H new ATOM 0 HA ILE B 12 5.137 -1.880 -8.919 1.00 0.00 H new ATOM 0 HB ILE B 12 3.042 -1.714 -6.769 1.00 0.00 H new ATOM 0 HG12 ILE B 12 4.942 -4.014 -7.098 1.00 0.00 H new ATOM 0 HG13 ILE B 12 5.078 -2.776 -5.864 1.00 0.00 H new ATOM 0 HG21 ILE B 12 2.148 -3.701 -8.045 1.00 0.00 H new ATOM 0 HG22 ILE B 12 2.254 -2.254 -9.075 1.00 0.00 H new ATOM 0 HG23 ILE B 12 3.486 -3.532 -9.206 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.869 -4.755 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE B 12 2.793 -3.338 -5.030 1.00 0.00 H new ATOM 0 HD13 ILE B 12 2.655 -4.594 -6.283 1.00 0.00 H new ATOM 1053 N LEU B 13 4.137 0.285 -9.977 1.00 0.00 N ATOM 1054 CA LEU B 13 3.309 1.260 -10.656 1.00 0.00 C ATOM 1055 C LEU B 13 1.941 0.639 -10.902 1.00 0.00 C ATOM 1056 O LEU B 13 1.809 -0.351 -11.619 1.00 0.00 O ATOM 1057 CB LEU B 13 3.967 1.795 -11.929 1.00 0.00 C ATOM 1058 CG LEU B 13 3.225 3.059 -12.423 1.00 0.00 C ATOM 1059 CD1 LEU B 13 4.238 4.011 -13.056 1.00 0.00 C ATOM 1060 CD2 LEU B 13 2.110 2.760 -13.434 1.00 0.00 C ATOM 0 H LEU B 13 4.936 -0.044 -10.519 1.00 0.00 H new ATOM 0 HA LEU B 13 3.185 2.140 -10.025 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.013 2.031 -11.735 1.00 0.00 H new ATOM 0 HB3 LEU B 13 3.952 1.029 -12.704 1.00 0.00 H new ATOM 0 HG LEU B 13 2.745 3.508 -11.553 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.725 4.906 -13.408 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.988 4.290 -12.315 1.00 0.00 H new ATOM 0 HD13 LEU B 13 4.725 3.517 -13.897 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.633 3.692 -13.736 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.535 2.269 -14.309 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.369 2.106 -12.975 1.00 0.00 H new ATOM 1072 N CYS B 14 0.938 1.238 -10.274 1.00 0.00 N ATOM 1073 CA CYS B 14 -0.465 0.916 -10.384 1.00 0.00 C ATOM 1074 C CYS B 14 -1.235 2.222 -10.629 1.00 0.00 C ATOM 1075 O CYS B 14 -0.641 3.271 -10.910 1.00 0.00 O ATOM 1076 CB CYS B 14 -0.898 0.214 -9.087 1.00 0.00 C ATOM 1077 SG CYS B 14 -2.334 -0.859 -9.370 1.00 0.00 S ATOM 0 H CYS B 14 1.102 2.014 -9.632 1.00 0.00 H new ATOM 0 HA CYS B 14 -0.671 0.242 -11.215 1.00 0.00 H new ATOM 0 HB2 CYS B 14 -0.070 -0.378 -8.697 1.00 0.00 H new ATOM 0 HB3 CYS B 14 -1.141 0.960 -8.330 1.00 0.00 H new ATOM 0 HG CYS B 14 -2.493 -1.649 -8.350 1.00 0.00 H new ATOM 1083 N VAL B 15 -2.561 2.169 -10.487 1.00 0.00 N ATOM 1084 CA VAL B 15 -3.403 3.352 -10.473 1.00 0.00 C ATOM 1085 C VAL B 15 -4.277 3.359 -9.221 1.00 0.00 C ATOM 1086 O VAL B 15 -4.554 2.317 -8.624 1.00 0.00 O ATOM 1087 CB VAL B 15 -4.233 3.486 -11.770 1.00 0.00 C ATOM 1088 CG1 VAL B 15 -3.334 3.774 -12.980 1.00 0.00 C ATOM 1089 CG2 VAL B 15 -5.113 2.258 -12.053 1.00 0.00 C ATOM 0 H VAL B 15 -3.077 1.296 -10.378 1.00 0.00 H new ATOM 0 HA VAL B 15 -2.759 4.231 -10.438 1.00 0.00 H new ATOM 0 HB VAL B 15 -4.900 4.333 -11.608 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -3.948 3.863 -13.876 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -2.792 4.706 -12.817 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -2.622 2.958 -13.107 1.00 0.00 H new ATOM 0 HG21 VAL B 15 -5.670 2.415 -12.977 1.00 0.00 H new ATOM 0 HG22 VAL B 15 -4.483 1.374 -12.155 1.00 0.00 H new ATOM 0 HG23 VAL B 15 -5.811 2.113 -11.229 1.00 0.00 H new ATOM 1099 N CYS B 16 -4.736 4.555 -8.854 1.00 0.00 N ATOM 1100 CA CYS B 16 -5.852 4.773 -7.956 1.00 0.00 C ATOM 1101 C CYS B 16 -7.083 4.259 -8.689 1.00 0.00 C ATOM 1102 O CYS B 16 -7.579 4.928 -9.591 1.00 0.00 O ATOM 1103 CB CYS B 16 -5.982 6.274 -7.686 1.00 0.00 C ATOM 1104 SG CYS B 16 -7.230 6.628 -6.419 1.00 0.00 S ATOM 0 H CYS B 16 -4.321 5.424 -9.190 1.00 0.00 H new ATOM 0 HA CYS B 16 -5.724 4.264 -7.000 1.00 0.00 H new ATOM 0 HB2 CYS B 16 -5.018 6.670 -7.367 1.00 0.00 H new ATOM 0 HB3 CYS B 16 -6.247 6.787 -8.610 1.00 0.00 H new ATOM 0 HG CYS B 16 -6.952 7.759 -5.840 1.00 0.00 H new ATOM 1109 N CYS B 17 -7.563 3.074 -8.327 1.00 0.00 N ATOM 1110 CA CYS B 17 -8.624 2.354 -9.035 1.00 0.00 C ATOM 1111 C CYS B 17 -9.859 3.225 -9.308 1.00 0.00 C ATOM 1112 O CYS B 17 -10.502 3.104 -10.348 1.00 0.00 O ATOM 1113 CB CYS B 17 -8.955 1.145 -8.160 1.00 0.00 C ATOM 1114 SG CYS B 17 -10.434 0.228 -8.657 1.00 0.00 S ATOM 0 H CYS B 17 -7.217 2.571 -7.510 1.00 0.00 H new ATOM 0 HA CYS B 17 -8.289 2.051 -10.027 1.00 0.00 H new ATOM 0 HB2 CYS B 17 -8.103 0.465 -8.168 1.00 0.00 H new ATOM 0 HB3 CYS B 17 -9.083 1.483 -7.132 1.00 0.00 H new ATOM 0 HG CYS B 17 -11.000 -0.286 -7.605 1.00 0.00 H new ATOM 1120 N LYS B 18 -10.158 4.138 -8.384 1.00 0.00 N ATOM 1121 CA LYS B 18 -11.335 4.988 -8.396 1.00 0.00 C ATOM 1122 C LYS B 18 -11.144 6.289 -9.180 1.00 0.00 C ATOM 1123 O LYS B 18 -12.149 6.911 -9.514 1.00 0.00 O ATOM 1124 CB LYS B 18 -11.762 5.240 -6.942 1.00 0.00 C ATOM 1125 CG LYS B 18 -10.637 5.846 -6.084 1.00 0.00 C ATOM 1126 CD LYS B 18 -10.993 5.926 -4.603 1.00 0.00 C ATOM 1127 CE LYS B 18 -12.130 6.886 -4.349 1.00 0.00 C ATOM 1128 NZ LYS B 18 -12.391 7.128 -2.921 1.00 0.00 N ATOM 0 H LYS B 18 -9.559 4.308 -7.576 1.00 0.00 H new ATOM 0 HA LYS B 18 -12.130 4.470 -8.932 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.621 5.911 -6.932 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -12.086 4.300 -6.496 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -9.734 5.247 -6.203 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -10.407 6.846 -6.451 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -11.267 4.935 -4.241 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -10.118 6.242 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -11.907 7.836 -4.835 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -13.035 6.495 -4.814 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.314 7.595 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.399 6.222 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -11.645 7.738 -2.530 1.00 0.00 H new ATOM 1142 N CYS B 19 -9.905 6.715 -9.480 1.00 0.00 N ATOM 1143 CA CYS B 19 -9.635 7.944 -10.207 1.00 0.00 C ATOM 1144 C CYS B 19 -8.689 7.782 -11.405 1.00 0.00 C ATOM 1145 O CYS B 19 -8.403 8.769 -12.079 1.00 0.00 O ATOM 1146 CB CYS B 19 -9.138 8.976 -9.198 1.00 0.00 C ATOM 1147 SG CYS B 19 -7.367 9.050 -8.802 1.00 0.00 S ATOM 0 H CYS B 19 -9.063 6.203 -9.217 1.00 0.00 H new ATOM 0 HA CYS B 19 -10.561 8.281 -10.673 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -9.434 9.960 -9.563 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -9.676 8.807 -8.265 1.00 0.00 H new ATOM 1152 N ASP B 20 -8.202 6.561 -11.659 1.00 0.00 N ATOM 1153 CA ASP B 20 -7.209 6.171 -12.664 1.00 0.00 C ATOM 1154 C ASP B 20 -5.885 6.951 -12.557 1.00 0.00 C ATOM 1155 O ASP B 20 -5.089 6.994 -13.492 1.00 0.00 O ATOM 1156 CB ASP B 20 -7.847 6.191 -14.061 1.00 0.00 C ATOM 1157 CG ASP B 20 -7.009 5.442 -15.104 1.00 0.00 C ATOM 1158 OD1 ASP B 20 -6.543 4.327 -14.774 1.00 0.00 O ATOM 1159 OD2 ASP B 20 -6.903 5.961 -16.238 1.00 0.00 O ATOM 0 H ASP B 20 -8.520 5.755 -11.121 1.00 0.00 H new ATOM 0 HA ASP B 20 -6.904 5.144 -12.462 1.00 0.00 H new ATOM 0 HB2 ASP B 20 -8.840 5.744 -14.009 1.00 0.00 H new ATOM 0 HB3 ASP B 20 -7.979 7.225 -14.381 1.00 0.00 H new ATOM 1164 N GLY B 21 -5.618 7.572 -11.400 1.00 0.00 N ATOM 1165 CA GLY B 21 -4.409 8.371 -11.224 1.00 0.00 C ATOM 1166 C GLY B 21 -3.215 7.463 -10.990 1.00 0.00 C ATOM 1167 O GLY B 21 -3.321 6.467 -10.282 1.00 0.00 O ATOM 0 H GLY B 21 -6.222 7.534 -10.579 1.00 0.00 H new ATOM 0 HA2 GLY B 21 -4.239 8.988 -12.106 1.00 0.00 H new ATOM 0 HA3 GLY B 21 -4.531 9.049 -10.380 1.00 0.00 H new ATOM 1171 N ARG B 22 -2.071 7.845 -11.552 1.00 0.00 N ATOM 1172 CA ARG B 22 -0.812 7.100 -11.522 1.00 0.00 C ATOM 1173 C ARG B 22 -0.326 7.009 -10.082 1.00 0.00 C ATOM 1174 O ARG B 22 -0.083 8.053 -9.474 1.00 0.00 O ATOM 1175 CB ARG B 22 0.204 7.819 -12.435 1.00 0.00 C ATOM 1176 CG ARG B 22 1.598 7.172 -12.556 1.00 0.00 C ATOM 1177 CD ARG B 22 2.637 7.654 -11.523 1.00 0.00 C ATOM 1178 NE ARG B 22 4.002 7.287 -11.945 1.00 0.00 N ATOM 1179 CZ ARG B 22 5.116 7.316 -11.199 1.00 0.00 C ATOM 1180 NH1 ARG B 22 5.162 7.897 -10.004 1.00 0.00 N ATOM 1181 NH2 ARG B 22 6.228 6.721 -11.620 1.00 0.00 N ATOM 0 H ARG B 22 -1.991 8.723 -12.065 1.00 0.00 H new ATOM 0 HA ARG B 22 -0.942 6.083 -11.893 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -0.226 7.891 -13.434 1.00 0.00 H new ATOM 0 HB3 ARG B 22 0.331 8.838 -12.068 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.489 6.092 -12.461 1.00 0.00 H new ATOM 0 HG3 ARG B 22 1.986 7.367 -13.556 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.566 8.735 -11.406 1.00 0.00 H new ATOM 0 HD3 ARG B 22 2.421 7.213 -10.550 1.00 0.00 H new ATOM 0 HE ARG B 22 4.110 6.977 -12.911 1.00 0.00 H new ATOM 0 HH11 ARG B 22 4.329 8.344 -9.622 1.00 0.00 H new ATOM 0 HH12 ARG B 22 6.031 7.896 -9.470 1.00 0.00 H new ATOM 0 HH21 ARG B 22 6.239 6.237 -12.518 1.00 0.00 H new ATOM 0 HH22 ARG B 22 7.070 6.749 -11.045 1.00 0.00 H new ATOM 1195 N ILE B 23 -0.126 5.795 -9.555 1.00 0.00 N ATOM 1196 CA ILE B 23 0.512 5.621 -8.257 1.00 0.00 C ATOM 1197 C ILE B 23 1.667 4.645 -8.408 1.00 0.00 C ATOM 1198 O ILE B 23 1.484 3.486 -8.766 1.00 0.00 O ATOM 1199 CB ILE B 23 -0.433 5.140 -7.137 1.00 0.00 C ATOM 1200 CG1 ILE B 23 -1.848 5.741 -7.166 1.00 0.00 C ATOM 1201 CG2 ILE B 23 0.271 5.477 -5.805 1.00 0.00 C ATOM 1202 CD1 ILE B 23 -2.750 5.096 -6.108 1.00 0.00 C ATOM 0 H ILE B 23 -0.398 4.924 -10.011 1.00 0.00 H new ATOM 0 HA ILE B 23 0.855 6.607 -7.945 1.00 0.00 H new ATOM 0 HB ILE B 23 -0.605 4.072 -7.274 1.00 0.00 H new ATOM 0 HG12 ILE B 23 -1.792 6.816 -6.993 1.00 0.00 H new ATOM 0 HG13 ILE B 23 -2.285 5.600 -8.154 1.00 0.00 H new ATOM 0 HG21 ILE B 23 -0.355 5.158 -4.972 1.00 0.00 H new ATOM 0 HG22 ILE B 23 1.229 4.959 -5.759 1.00 0.00 H new ATOM 0 HG23 ILE B 23 0.437 6.553 -5.743 1.00 0.00 H new ATOM 0 HD11 ILE B 23 -3.743 5.543 -6.155 1.00 0.00 H new ATOM 0 HD12 ILE B 23 -2.825 4.025 -6.298 1.00 0.00 H new ATOM 0 HD13 ILE B 23 -2.325 5.260 -5.118 1.00 0.00 H new ATOM 1214 N GLU B 24 2.865 5.112 -8.087 1.00 0.00 N ATOM 1215 CA GLU B 24 4.033 4.278 -7.903 1.00 0.00 C ATOM 1216 C GLU B 24 3.965 3.694 -6.492 1.00 0.00 C ATOM 1217 O GLU B 24 4.454 4.308 -5.537 1.00 0.00 O ATOM 1218 CB GLU B 24 5.226 5.178 -8.188 1.00 0.00 C ATOM 1219 CG GLU B 24 6.583 4.492 -8.152 1.00 0.00 C ATOM 1220 CD GLU B 24 7.710 5.432 -8.613 1.00 0.00 C ATOM 1221 OE1 GLU B 24 7.413 6.474 -9.257 1.00 0.00 O ATOM 1222 OE2 GLU B 24 8.882 5.078 -8.355 1.00 0.00 O ATOM 0 H GLU B 24 3.051 6.105 -7.945 1.00 0.00 H new ATOM 0 HA GLU B 24 4.107 3.418 -8.569 1.00 0.00 H new ATOM 0 HB2 GLU B 24 5.092 5.630 -9.171 1.00 0.00 H new ATOM 0 HB3 GLU B 24 5.229 5.990 -7.461 1.00 0.00 H new ATOM 0 HG2 GLU B 24 6.789 4.147 -7.139 1.00 0.00 H new ATOM 0 HG3 GLU B 24 6.561 3.609 -8.791 1.00 0.00 H new ATOM 1229 N LEU B 25 3.281 2.546 -6.359 1.00 0.00 N ATOM 1230 CA LEU B 25 2.966 1.929 -5.075 1.00 0.00 C ATOM 1231 C LEU B 25 4.271 1.509 -4.434 1.00 0.00 C ATOM 1232 O LEU B 25 4.844 0.469 -4.771 1.00 0.00 O ATOM 1233 CB LEU B 25 2.049 0.700 -5.168 1.00 0.00 C ATOM 1234 CG LEU B 25 0.709 0.857 -5.896 1.00 0.00 C ATOM 1235 CD1 LEU B 25 -0.082 -0.454 -5.797 1.00 0.00 C ATOM 1236 CD2 LEU B 25 -0.091 1.989 -5.270 1.00 0.00 C ATOM 0 H LEU B 25 2.929 2.018 -7.157 1.00 0.00 H new ATOM 0 HA LEU B 25 2.421 2.670 -4.490 1.00 0.00 H new ATOM 0 HB2 LEU B 25 2.606 -0.096 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.840 0.361 -4.153 1.00 0.00 H new ATOM 0 HG LEU B 25 0.894 1.091 -6.944 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.035 -0.344 -6.314 1.00 0.00 H new ATOM 0 HD12 LEU B 25 0.490 -1.260 -6.258 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.263 -0.691 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -1.042 2.095 -5.792 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -0.277 1.765 -4.219 1.00 0.00 H new ATOM 0 HD23 LEU B 25 0.472 2.919 -5.349 1.00 0.00 H new ATOM 1248 N THR B 26 4.758 2.364 -3.545 1.00 0.00 N ATOM 1249 CA THR B 26 6.065 2.194 -2.978 1.00 0.00 C ATOM 1250 C THR B 26 5.878 1.404 -1.689 1.00 0.00 C ATOM 1251 O THR B 26 5.554 1.940 -0.628 1.00 0.00 O ATOM 1252 CB THR B 26 6.790 3.530 -2.912 1.00 0.00 C ATOM 1253 OG1 THR B 26 6.841 4.064 -4.228 1.00 0.00 O ATOM 1254 CG2 THR B 26 8.226 3.327 -2.418 1.00 0.00 C ATOM 0 H THR B 26 4.254 3.184 -3.207 1.00 0.00 H new ATOM 0 HA THR B 26 6.751 1.605 -3.587 1.00 0.00 H new ATOM 0 HB THR B 26 6.266 4.200 -2.230 1.00 0.00 H new ATOM 0 HG1 THR B 26 5.931 4.254 -4.540 1.00 0.00 H new ATOM 0 HG21 THR B 26 8.735 4.290 -2.375 1.00 0.00 H new ATOM 0 HG22 THR B 26 8.209 2.880 -1.424 1.00 0.00 H new ATOM 0 HG23 THR B 26 8.757 2.666 -3.104 1.00 0.00 H new ATOM 1262 N VAL B 27 5.992 0.087 -1.837 1.00 0.00 N ATOM 1263 CA VAL B 27 5.771 -0.876 -0.771 1.00 0.00 C ATOM 1264 C VAL B 27 7.121 -1.542 -0.543 1.00 0.00 C ATOM 1265 O VAL B 27 7.885 -1.784 -1.481 1.00 0.00 O ATOM 1266 CB VAL B 27 4.622 -1.852 -1.133 1.00 0.00 C ATOM 1267 CG1 VAL B 27 3.351 -1.095 -1.548 1.00 0.00 C ATOM 1268 CG2 VAL B 27 5.021 -2.804 -2.272 1.00 0.00 C ATOM 0 H VAL B 27 6.247 -0.347 -2.724 1.00 0.00 H new ATOM 0 HA VAL B 27 5.433 -0.416 0.158 1.00 0.00 H new ATOM 0 HB VAL B 27 4.421 -2.434 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL B 27 2.566 -1.810 -1.795 1.00 0.00 H new ATOM 0 HG12 VAL B 27 3.019 -0.462 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL B 27 3.565 -0.475 -2.419 1.00 0.00 H new ATOM 0 HG21 VAL B 27 4.189 -3.472 -2.496 1.00 0.00 H new ATOM 0 HG22 VAL B 27 5.270 -2.224 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL B 27 5.887 -3.392 -1.968 1.00 0.00 H new ATOM 1278 N GLU B 28 7.462 -1.766 0.716 1.00 0.00 N ATOM 1279 CA GLU B 28 8.841 -1.968 1.094 1.00 0.00 C ATOM 1280 C GLU B 28 8.944 -3.422 1.535 1.00 0.00 C ATOM 1281 O GLU B 28 8.851 -3.718 2.722 1.00 0.00 O ATOM 1282 CB GLU B 28 9.187 -0.893 2.132 1.00 0.00 C ATOM 1283 CG GLU B 28 10.663 -0.489 2.175 1.00 0.00 C ATOM 1284 CD GLU B 28 11.126 0.079 3.517 1.00 0.00 C ATOM 1285 OE1 GLU B 28 10.432 -0.097 4.547 1.00 0.00 O ATOM 1286 OE2 GLU B 28 12.183 0.746 3.511 1.00 0.00 O ATOM 0 H GLU B 28 6.799 -1.811 1.490 1.00 0.00 H new ATOM 0 HA GLU B 28 9.582 -1.840 0.305 1.00 0.00 H new ATOM 0 HB2 GLU B 28 8.588 -0.005 1.928 1.00 0.00 H new ATOM 0 HB3 GLU B 28 8.895 -1.254 3.118 1.00 0.00 H new ATOM 0 HG2 GLU B 28 11.272 -1.360 1.934 1.00 0.00 H new ATOM 0 HG3 GLU B 28 10.846 0.253 1.398 1.00 0.00 H new ATOM 1293 N SER B 29 9.037 -4.344 0.566 1.00 0.00 N ATOM 1294 CA SER B 29 9.032 -5.772 0.850 1.00 0.00 C ATOM 1295 C SER B 29 9.822 -6.539 -0.189 1.00 0.00 C ATOM 1296 O SER B 29 9.922 -6.129 -1.346 1.00 0.00 O ATOM 1297 CB SER B 29 7.613 -6.343 0.865 1.00 0.00 C ATOM 1298 OG SER B 29 7.606 -7.452 1.745 1.00 0.00 O ATOM 0 H SER B 29 9.117 -4.116 -0.425 1.00 0.00 H new ATOM 0 HA SER B 29 9.486 -5.886 1.834 1.00 0.00 H new ATOM 0 HB2 SER B 29 6.900 -5.588 1.196 1.00 0.00 H new ATOM 0 HB3 SER B 29 7.313 -6.648 -0.137 1.00 0.00 H new ATOM 0 HG SER B 29 6.698 -7.816 1.806 1.00 0.00 H new ATOM 1304 N SER B 30 10.314 -7.698 0.239 1.00 0.00 N ATOM 1305 CA SER B 30 11.057 -8.659 -0.551 1.00 0.00 C ATOM 1306 C SER B 30 10.300 -8.956 -1.845 1.00 0.00 C ATOM 1307 O SER B 30 9.071 -9.050 -1.836 1.00 0.00 O ATOM 1308 CB SER B 30 11.229 -9.930 0.287 1.00 0.00 C ATOM 1309 OG SER B 30 11.586 -9.593 1.622 1.00 0.00 O ATOM 0 H SER B 30 10.194 -8.004 1.205 1.00 0.00 H new ATOM 0 HA SER B 30 12.037 -8.264 -0.820 1.00 0.00 H new ATOM 0 HB2 SER B 30 10.303 -10.504 0.284 1.00 0.00 H new ATOM 0 HB3 SER B 30 11.998 -10.564 -0.154 1.00 0.00 H new ATOM 0 HG SER B 30 10.780 -9.560 2.178 1.00 0.00 H new ATOM 1315 N ALA B 31 11.019 -9.111 -2.959 1.00 0.00 N ATOM 1316 CA ALA B 31 10.408 -9.100 -4.285 1.00 0.00 C ATOM 1317 C ALA B 31 9.270 -10.116 -4.431 1.00 0.00 C ATOM 1318 O ALA B 31 8.264 -9.801 -5.058 1.00 0.00 O ATOM 1319 CB ALA B 31 11.484 -9.325 -5.349 1.00 0.00 C ATOM 0 H ALA B 31 12.030 -9.246 -2.966 1.00 0.00 H new ATOM 0 HA ALA B 31 9.953 -8.119 -4.426 1.00 0.00 H new ATOM 0 HB1 ALA B 31 11.025 -9.316 -6.338 1.00 0.00 H new ATOM 0 HB2 ALA B 31 12.228 -8.531 -5.287 1.00 0.00 H new ATOM 0 HB3 ALA B 31 11.966 -10.288 -5.181 1.00 0.00 H new ATOM 1325 N GLU B 32 9.392 -11.304 -3.832 1.00 0.00 N ATOM 1326 CA GLU B 32 8.409 -12.371 -3.968 1.00 0.00 C ATOM 1327 C GLU B 32 7.237 -12.228 -2.983 1.00 0.00 C ATOM 1328 O GLU B 32 6.120 -12.679 -3.248 1.00 0.00 O ATOM 1329 CB GLU B 32 9.106 -13.715 -3.782 1.00 0.00 C ATOM 1330 CG GLU B 32 10.067 -14.036 -4.947 1.00 0.00 C ATOM 1331 CD GLU B 32 9.542 -15.154 -5.854 1.00 0.00 C ATOM 1332 OE1 GLU B 32 8.747 -14.837 -6.772 1.00 0.00 O ATOM 1333 OE2 GLU B 32 9.947 -16.316 -5.649 1.00 0.00 O ATOM 0 H GLU B 32 10.183 -11.549 -3.236 1.00 0.00 H new ATOM 0 HA GLU B 32 7.978 -12.306 -4.967 1.00 0.00 H new ATOM 0 HB2 GLU B 32 9.663 -13.708 -2.845 1.00 0.00 H new ATOM 0 HB3 GLU B 32 8.357 -14.503 -3.702 1.00 0.00 H new ATOM 0 HG2 GLU B 32 10.225 -13.136 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU B 32 11.037 -14.326 -4.543 1.00 0.00 H new ATOM 1340 N ASP B 33 7.470 -11.559 -1.854 1.00 0.00 N ATOM 1341 CA ASP B 33 6.444 -11.141 -0.918 1.00 0.00 C ATOM 1342 C ASP B 33 5.581 -10.068 -1.598 1.00 0.00 C ATOM 1343 O ASP B 33 4.355 -10.177 -1.653 1.00 0.00 O ATOM 1344 CB ASP B 33 7.146 -10.661 0.359 1.00 0.00 C ATOM 1345 CG ASP B 33 6.185 -10.174 1.430 1.00 0.00 C ATOM 1346 OD1 ASP B 33 5.832 -8.971 1.358 1.00 0.00 O ATOM 1347 OD2 ASP B 33 5.914 -10.969 2.359 1.00 0.00 O ATOM 0 H ASP B 33 8.409 -11.288 -1.563 1.00 0.00 H new ATOM 0 HA ASP B 33 5.770 -11.949 -0.632 1.00 0.00 H new ATOM 0 HB2 ASP B 33 7.746 -11.476 0.763 1.00 0.00 H new ATOM 0 HB3 ASP B 33 7.834 -9.855 0.105 1.00 0.00 H new ATOM 1352 N LEU B 34 6.244 -9.107 -2.255 1.00 0.00 N ATOM 1353 CA LEU B 34 5.628 -8.090 -3.102 1.00 0.00 C ATOM 1354 C LEU B 34 4.853 -8.724 -4.258 1.00 0.00 C ATOM 1355 O LEU B 34 3.749 -8.315 -4.579 1.00 0.00 O ATOM 1356 CB LEU B 34 6.719 -7.118 -3.588 1.00 0.00 C ATOM 1357 CG LEU B 34 6.345 -6.250 -4.812 1.00 0.00 C ATOM 1358 CD1 LEU B 34 7.120 -4.937 -4.716 1.00 0.00 C ATOM 1359 CD2 LEU B 34 6.713 -6.872 -6.171 1.00 0.00 C ATOM 0 H LEU B 34 7.259 -9.018 -2.206 1.00 0.00 H new ATOM 0 HA LEU B 34 4.895 -7.526 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU B 34 6.984 -6.456 -2.763 1.00 0.00 H new ATOM 0 HB3 LEU B 34 7.611 -7.695 -3.833 1.00 0.00 H new ATOM 0 HG LEU B 34 5.262 -6.134 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU B 34 6.873 -4.306 -5.570 1.00 0.00 H new ATOM 0 HD12 LEU B 34 6.851 -4.422 -3.794 1.00 0.00 H new ATOM 0 HD13 LEU B 34 8.190 -5.145 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU B 34 6.415 -6.196 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU B 34 7.790 -7.037 -6.216 1.00 0.00 H new ATOM 0 HD23 LEU B 34 6.195 -7.824 -6.288 1.00 0.00 H new ATOM 1371 N ARG B 35 5.453 -9.719 -4.893 1.00 0.00 N ATOM 1372 CA ARG B 35 4.921 -10.498 -6.010 1.00 0.00 C ATOM 1373 C ARG B 35 3.657 -11.195 -5.565 1.00 0.00 C ATOM 1374 O ARG B 35 2.677 -11.157 -6.294 1.00 0.00 O ATOM 1375 CB ARG B 35 5.925 -11.549 -6.497 1.00 0.00 C ATOM 1376 CG ARG B 35 5.513 -12.248 -7.799 1.00 0.00 C ATOM 1377 CD ARG B 35 6.519 -13.361 -8.106 1.00 0.00 C ATOM 1378 NE ARG B 35 6.200 -14.078 -9.348 1.00 0.00 N ATOM 1379 CZ ARG B 35 6.778 -15.220 -9.749 1.00 0.00 C ATOM 1380 NH1 ARG B 35 7.740 -15.805 -9.038 1.00 0.00 N ATOM 1381 NH2 ARG B 35 6.378 -15.786 -10.888 1.00 0.00 N ATOM 0 H ARG B 35 6.388 -10.028 -4.627 1.00 0.00 H new ATOM 0 HA ARG B 35 4.718 -9.814 -6.835 1.00 0.00 H new ATOM 0 HB2 ARG B 35 6.894 -11.071 -6.644 1.00 0.00 H new ATOM 0 HB3 ARG B 35 6.055 -12.301 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG B 35 4.510 -12.663 -7.702 1.00 0.00 H new ATOM 0 HG3 ARG B 35 5.483 -11.530 -8.619 1.00 0.00 H new ATOM 0 HD2 ARG B 35 7.518 -12.932 -8.184 1.00 0.00 H new ATOM 0 HD3 ARG B 35 6.539 -14.068 -7.277 1.00 0.00 H new ATOM 0 HE ARG B 35 5.483 -13.676 -9.952 1.00 0.00 H new ATOM 0 HH11 ARG B 35 8.055 -15.385 -8.164 1.00 0.00 H new ATOM 0 HH12 ARG B 35 8.162 -16.673 -9.368 1.00 0.00 H new ATOM 0 HH21 ARG B 35 5.641 -15.350 -11.443 1.00 0.00 H new ATOM 0 HH22 ARG B 35 6.809 -16.655 -11.205 1.00 0.00 H new ATOM 1395 N THR B 36 3.674 -11.820 -4.392 1.00 0.00 N ATOM 1396 CA THR B 36 2.499 -12.448 -3.803 1.00 0.00 C ATOM 1397 C THR B 36 1.390 -11.394 -3.674 1.00 0.00 C ATOM 1398 O THR B 36 0.292 -11.587 -4.198 1.00 0.00 O ATOM 1399 CB THR B 36 2.879 -13.121 -2.471 1.00 0.00 C ATOM 1400 OG1 THR B 36 3.970 -14.003 -2.663 1.00 0.00 O ATOM 1401 CG2 THR B 36 1.712 -13.942 -1.912 1.00 0.00 C ATOM 0 H THR B 36 4.513 -11.905 -3.819 1.00 0.00 H new ATOM 0 HA THR B 36 2.112 -13.244 -4.440 1.00 0.00 H new ATOM 0 HB THR B 36 3.141 -12.327 -1.772 1.00 0.00 H new ATOM 0 HG1 THR B 36 4.811 -13.516 -2.535 1.00 0.00 H new ATOM 0 HG21 THR B 36 2.010 -14.405 -0.971 1.00 0.00 H new ATOM 0 HG22 THR B 36 0.857 -13.288 -1.739 1.00 0.00 H new ATOM 0 HG23 THR B 36 1.437 -14.717 -2.627 1.00 0.00 H new ATOM 1409 N LEU B 37 1.711 -10.235 -3.086 1.00 0.00 N ATOM 1410 CA LEU B 37 0.847 -9.053 -3.048 1.00 0.00 C ATOM 1411 C LEU B 37 0.366 -8.659 -4.462 1.00 0.00 C ATOM 1412 O LEU B 37 -0.807 -8.345 -4.661 1.00 0.00 O ATOM 1413 CB LEU B 37 1.572 -7.940 -2.252 1.00 0.00 C ATOM 1414 CG LEU B 37 1.630 -6.535 -2.874 1.00 0.00 C ATOM 1415 CD1 LEU B 37 0.292 -5.775 -2.675 1.00 0.00 C ATOM 1416 CD2 LEU B 37 2.723 -5.723 -2.181 1.00 0.00 C ATOM 0 H LEU B 37 2.603 -10.092 -2.612 1.00 0.00 H new ATOM 0 HA LEU B 37 -0.082 -9.260 -2.516 1.00 0.00 H new ATOM 0 HB2 LEU B 37 1.089 -7.856 -1.279 1.00 0.00 H new ATOM 0 HB3 LEU B 37 2.595 -8.269 -2.072 1.00 0.00 H new ATOM 0 HG LEU B 37 1.829 -6.651 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU B 37 0.365 -4.785 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -0.516 -6.331 -3.150 1.00 0.00 H new ATOM 0 HD13 LEU B 37 0.086 -5.674 -1.609 1.00 0.00 H new ATOM 0 HD21 LEU B 37 2.768 -4.726 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU B 37 2.498 -5.643 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU B 37 3.684 -6.220 -2.312 1.00 0.00 H new ATOM 1428 N GLN B 38 1.230 -8.723 -5.476 1.00 0.00 N ATOM 1429 CA GLN B 38 0.884 -8.404 -6.847 1.00 0.00 C ATOM 1430 C GLN B 38 -0.071 -9.457 -7.421 1.00 0.00 C ATOM 1431 O GLN B 38 -0.922 -9.109 -8.235 1.00 0.00 O ATOM 1432 CB GLN B 38 2.174 -8.272 -7.660 1.00 0.00 C ATOM 1433 CG GLN B 38 1.968 -7.850 -9.114 1.00 0.00 C ATOM 1434 CD GLN B 38 3.334 -7.758 -9.782 1.00 0.00 C ATOM 1435 OE1 GLN B 38 3.722 -8.629 -10.551 1.00 0.00 O ATOM 1436 NE2 GLN B 38 4.120 -6.747 -9.434 1.00 0.00 N ATOM 0 H GLN B 38 2.204 -9.003 -5.358 1.00 0.00 H new ATOM 0 HA GLN B 38 0.353 -7.453 -6.894 1.00 0.00 H new ATOM 0 HB2 GLN B 38 2.823 -7.544 -7.172 1.00 0.00 H new ATOM 0 HB3 GLN B 38 2.698 -9.228 -7.643 1.00 0.00 H new ATOM 0 HG2 GLN B 38 1.339 -8.572 -9.634 1.00 0.00 H new ATOM 0 HG3 GLN B 38 1.456 -6.889 -9.162 1.00 0.00 H new ATOM 0 HE21 GLN B 38 3.777 -6.032 -8.792 1.00 0.00 H new ATOM 0 HE22 GLN B 38 5.067 -6.685 -9.808 1.00 0.00 H new ATOM 1445 N GLN B 39 0.010 -10.720 -6.979 1.00 0.00 N ATOM 1446 CA GLN B 39 -0.956 -11.737 -7.358 1.00 0.00 C ATOM 1447 C GLN B 39 -2.310 -11.409 -6.739 1.00 0.00 C ATOM 1448 O GLN B 39 -3.326 -11.588 -7.404 1.00 0.00 O ATOM 1449 CB GLN B 39 -0.536 -13.164 -6.987 1.00 0.00 C ATOM 1450 CG GLN B 39 0.880 -13.574 -7.408 1.00 0.00 C ATOM 1451 CD GLN B 39 1.307 -13.084 -8.792 1.00 0.00 C ATOM 1452 OE1 GLN B 39 0.912 -13.630 -9.814 1.00 0.00 O ATOM 1453 NE2 GLN B 39 2.135 -12.049 -8.840 1.00 0.00 N ATOM 0 H GLN B 39 0.744 -11.054 -6.354 1.00 0.00 H new ATOM 0 HA GLN B 39 -1.017 -11.718 -8.446 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -0.621 -13.278 -5.906 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -1.244 -13.860 -7.437 1.00 0.00 H new ATOM 0 HG2 GLN B 39 1.587 -13.195 -6.670 1.00 0.00 H new ATOM 0 HG3 GLN B 39 0.949 -14.662 -7.386 1.00 0.00 H new ATOM 0 HE21 GLN B 39 2.452 -11.609 -7.976 1.00 0.00 H new ATOM 0 HE22 GLN B 39 2.455 -11.693 -9.741 1.00 0.00 H new ATOM 1462 N LEU B 40 -2.336 -10.870 -5.509 1.00 0.00 N ATOM 1463 CA LEU B 40 -3.563 -10.313 -4.942 1.00 0.00 C ATOM 1464 C LEU B 40 -4.113 -9.220 -5.860 1.00 0.00 C ATOM 1465 O LEU B 40 -5.309 -9.227 -6.139 1.00 0.00 O ATOM 1466 CB LEU B 40 -3.393 -9.780 -3.509 1.00 0.00 C ATOM 1467 CG LEU B 40 -2.593 -10.650 -2.525 1.00 0.00 C ATOM 1468 CD1 LEU B 40 -2.526 -9.960 -1.158 1.00 0.00 C ATOM 1469 CD2 LEU B 40 -3.127 -12.076 -2.374 1.00 0.00 C ATOM 0 H LEU B 40 -1.523 -10.811 -4.896 1.00 0.00 H new ATOM 0 HA LEU B 40 -4.276 -11.135 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -2.910 -8.804 -3.567 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -4.386 -9.620 -3.088 1.00 0.00 H new ATOM 0 HG LEU B 40 -1.594 -10.752 -2.949 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -1.958 -10.581 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -2.037 -8.992 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -3.536 -9.816 -0.773 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.508 -12.623 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.154 -12.043 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.100 -12.579 -3.341 1.00 0.00 H new ATOM 1481 N PHE B 41 -3.271 -8.302 -6.355 1.00 0.00 N ATOM 1482 CA PHE B 41 -3.719 -7.237 -7.264 1.00 0.00 C ATOM 1483 C PHE B 41 -4.258 -7.814 -8.573 1.00 0.00 C ATOM 1484 O PHE B 41 -5.297 -7.381 -9.062 1.00 0.00 O ATOM 1485 CB PHE B 41 -2.602 -6.214 -7.526 1.00 0.00 C ATOM 1486 CG PHE B 41 -2.607 -5.047 -6.558 1.00 0.00 C ATOM 1487 CD1 PHE B 41 -2.294 -5.247 -5.201 1.00 0.00 C ATOM 1488 CD2 PHE B 41 -2.965 -3.761 -7.005 1.00 0.00 C ATOM 1489 CE1 PHE B 41 -2.357 -4.175 -4.294 1.00 0.00 C ATOM 1490 CE2 PHE B 41 -3.010 -2.685 -6.103 1.00 0.00 C ATOM 1491 CZ PHE B 41 -2.718 -2.897 -4.745 1.00 0.00 C ATOM 0 H PHE B 41 -2.274 -8.276 -6.141 1.00 0.00 H new ATOM 0 HA PHE B 41 -4.537 -6.711 -6.772 1.00 0.00 H new ATOM 0 HB2 PHE B 41 -1.638 -6.719 -7.468 1.00 0.00 H new ATOM 0 HB3 PHE B 41 -2.701 -5.833 -8.542 1.00 0.00 H new ATOM 0 HD1 PHE B 41 -2.004 -6.228 -4.855 1.00 0.00 H new ATOM 0 HD2 PHE B 41 -3.206 -3.601 -8.046 1.00 0.00 H new ATOM 0 HE1 PHE B 41 -2.128 -4.335 -3.251 1.00 0.00 H new ATOM 0 HE2 PHE B 41 -3.269 -1.696 -6.453 1.00 0.00 H new ATOM 0 HZ PHE B 41 -2.772 -2.074 -4.047 1.00 0.00 H new ATOM 1501 N LEU B 42 -3.571 -8.814 -9.127 1.00 0.00 N ATOM 1502 CA LEU B 42 -4.008 -9.532 -10.319 1.00 0.00 C ATOM 1503 C LEU B 42 -5.313 -10.308 -10.074 1.00 0.00 C ATOM 1504 O LEU B 42 -6.064 -10.533 -11.021 1.00 0.00 O ATOM 1505 CB LEU B 42 -2.875 -10.476 -10.752 1.00 0.00 C ATOM 1506 CG LEU B 42 -1.693 -9.757 -11.436 1.00 0.00 C ATOM 1507 CD1 LEU B 42 -0.458 -10.667 -11.464 1.00 0.00 C ATOM 1508 CD2 LEU B 42 -2.034 -9.338 -12.873 1.00 0.00 C ATOM 0 H LEU B 42 -2.684 -9.150 -8.753 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.223 -8.816 -11.113 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.506 -11.011 -9.877 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -3.278 -11.223 -11.435 1.00 0.00 H new ATOM 0 HG LEU B 42 -1.484 -8.860 -10.853 1.00 0.00 H new ATOM 0 HD11 LEU B 42 0.367 -10.146 -11.949 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -0.174 -10.926 -10.444 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.689 -11.577 -12.018 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -1.176 -8.835 -13.319 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.282 -10.222 -13.460 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -2.886 -8.659 -12.861 1.00 0.00 H new ATOM 1520 N SER B 43 -5.582 -10.718 -8.830 1.00 0.00 N ATOM 1521 CA SER B 43 -6.766 -11.450 -8.411 1.00 0.00 C ATOM 1522 C SER B 43 -7.959 -10.524 -8.146 1.00 0.00 C ATOM 1523 O SER B 43 -8.991 -10.614 -8.812 1.00 0.00 O ATOM 1524 CB SER B 43 -6.390 -12.252 -7.145 1.00 0.00 C ATOM 1525 OG SER B 43 -7.499 -12.706 -6.389 1.00 0.00 O ATOM 0 H SER B 43 -4.944 -10.536 -8.055 1.00 0.00 H new ATOM 0 HA SER B 43 -7.084 -12.119 -9.211 1.00 0.00 H new ATOM 0 HB2 SER B 43 -5.790 -13.113 -7.440 1.00 0.00 H new ATOM 0 HB3 SER B 43 -5.762 -11.629 -6.508 1.00 0.00 H new ATOM 0 HG SER B 43 -7.628 -12.121 -5.613 1.00 0.00 H new ATOM 1531 N THR B 44 -7.822 -9.679 -7.125 1.00 0.00 N ATOM 1532 CA THR B 44 -8.892 -9.039 -6.391 1.00 0.00 C ATOM 1533 C THR B 44 -8.635 -7.608 -5.921 1.00 0.00 C ATOM 1534 O THR B 44 -9.569 -6.923 -5.501 1.00 0.00 O ATOM 1535 CB THR B 44 -9.179 -9.918 -5.152 1.00 0.00 C ATOM 1536 OG1 THR B 44 -8.071 -10.722 -4.751 1.00 0.00 O ATOM 1537 CG2 THR B 44 -10.302 -10.875 -5.487 1.00 0.00 C ATOM 0 H THR B 44 -6.902 -9.413 -6.774 1.00 0.00 H new ATOM 0 HA THR B 44 -9.727 -8.953 -7.087 1.00 0.00 H new ATOM 0 HB THR B 44 -9.420 -9.231 -4.340 1.00 0.00 H new ATOM 0 HG1 THR B 44 -8.146 -10.930 -3.796 1.00 0.00 H new ATOM 0 HG21 THR B 44 -10.516 -11.502 -4.622 1.00 0.00 H new ATOM 0 HG22 THR B 44 -11.194 -10.309 -5.755 1.00 0.00 H new ATOM 0 HG23 THR B 44 -10.006 -11.504 -6.327 1.00 0.00 H new ATOM 1545 N LEU B 45 -7.374 -7.189 -5.926 1.00 0.00 N ATOM 1546 CA LEU B 45 -6.921 -6.002 -5.198 1.00 0.00 C ATOM 1547 C LEU B 45 -6.662 -4.772 -6.071 1.00 0.00 C ATOM 1548 O LEU B 45 -6.258 -4.868 -7.228 1.00 0.00 O ATOM 1549 CB LEU B 45 -5.668 -6.346 -4.371 1.00 0.00 C ATOM 1550 CG LEU B 45 -5.946 -6.298 -2.875 1.00 0.00 C ATOM 1551 CD1 LEU B 45 -6.862 -7.456 -2.480 1.00 0.00 C ATOM 1552 CD2 LEU B 45 -4.647 -6.375 -2.070 1.00 0.00 C ATOM 0 H LEU B 45 -6.630 -7.664 -6.438 1.00 0.00 H new ATOM 0 HA LEU B 45 -7.748 -5.719 -4.546 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -5.315 -7.341 -4.643 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -4.869 -5.646 -4.615 1.00 0.00 H new ATOM 0 HG LEU B 45 -6.434 -5.350 -2.651 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -7.057 -7.416 -1.408 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -7.803 -7.377 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -6.379 -8.402 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -4.876 -6.339 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -4.132 -7.308 -2.299 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -4.006 -5.533 -2.332 1.00 0.00 H new ATOM 1564 N SER B 46 -6.811 -3.605 -5.445 1.00 0.00 N ATOM 1565 CA SER B 46 -6.532 -2.283 -5.965 1.00 0.00 C ATOM 1566 C SER B 46 -5.910 -1.409 -4.855 1.00 0.00 C ATOM 1567 O SER B 46 -5.718 -1.843 -3.713 1.00 0.00 O ATOM 1568 CB SER B 46 -7.818 -1.682 -6.565 1.00 0.00 C ATOM 1569 OG SER B 46 -9.028 -2.087 -5.948 1.00 0.00 O ATOM 0 H SER B 46 -7.158 -3.566 -4.486 1.00 0.00 H new ATOM 0 HA SER B 46 -5.801 -2.333 -6.772 1.00 0.00 H new ATOM 0 HB2 SER B 46 -7.749 -0.595 -6.511 1.00 0.00 H new ATOM 0 HB3 SER B 46 -7.863 -1.947 -7.621 1.00 0.00 H new ATOM 0 HG SER B 46 -9.756 -1.498 -6.237 1.00 0.00 H new ATOM 1575 N PHE B 47 -5.558 -0.162 -5.189 1.00 0.00 N ATOM 1576 CA PHE B 47 -4.994 0.808 -4.262 1.00 0.00 C ATOM 1577 C PHE B 47 -5.711 2.140 -4.450 1.00 0.00 C ATOM 1578 O PHE B 47 -6.370 2.370 -5.471 1.00 0.00 O ATOM 1579 CB PHE B 47 -3.487 0.963 -4.511 1.00 0.00 C ATOM 1580 CG PHE B 47 -2.696 1.505 -3.332 1.00 0.00 C ATOM 1581 CD1 PHE B 47 -2.528 2.893 -3.157 1.00 0.00 C ATOM 1582 CD2 PHE B 47 -2.068 0.622 -2.434 1.00 0.00 C ATOM 1583 CE1 PHE B 47 -1.772 3.397 -2.085 1.00 0.00 C ATOM 1584 CE2 PHE B 47 -1.281 1.126 -1.383 1.00 0.00 C ATOM 1585 CZ PHE B 47 -1.145 2.512 -1.196 1.00 0.00 C ATOM 0 H PHE B 47 -5.663 0.203 -6.136 1.00 0.00 H new ATOM 0 HA PHE B 47 -5.132 0.465 -3.236 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.078 -0.008 -4.789 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -3.341 1.626 -5.364 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.986 3.578 -3.855 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.191 -0.444 -2.552 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -1.674 4.464 -1.946 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -0.778 0.443 -0.715 1.00 0.00 H new ATOM 0 HZ PHE B 47 -0.561 2.894 -0.372 1.00 0.00 H new ATOM 1595 N VAL B 48 -5.532 3.022 -3.467 1.00 0.00 N ATOM 1596 CA VAL B 48 -6.180 4.299 -3.353 1.00 0.00 C ATOM 1597 C VAL B 48 -5.134 5.361 -2.994 1.00 0.00 C ATOM 1598 O VAL B 48 -4.465 5.248 -1.968 1.00 0.00 O ATOM 1599 CB VAL B 48 -7.318 4.204 -2.314 1.00 0.00 C ATOM 1600 CG1 VAL B 48 -8.427 5.109 -2.771 1.00 0.00 C ATOM 1601 CG2 VAL B 48 -8.071 2.881 -2.223 1.00 0.00 C ATOM 0 H VAL B 48 -4.893 2.841 -2.693 1.00 0.00 H new ATOM 0 HA VAL B 48 -6.633 4.594 -4.300 1.00 0.00 H new ATOM 0 HB VAL B 48 -6.810 4.413 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.250 5.066 -2.057 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -8.058 6.132 -2.837 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.779 4.786 -3.751 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -8.841 2.953 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -8.536 2.660 -3.184 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -7.375 2.083 -1.965 1.00 0.00 H new ATOM 1611 N CYS B 49 -4.933 6.369 -3.853 1.00 0.00 N ATOM 1612 CA CYS B 49 -3.969 7.433 -3.568 1.00 0.00 C ATOM 1613 C CYS B 49 -4.434 8.239 -2.344 1.00 0.00 C ATOM 1614 O CYS B 49 -5.647 8.395 -2.166 1.00 0.00 O ATOM 1615 CB CYS B 49 -3.792 8.340 -4.799 1.00 0.00 C ATOM 1616 SG CYS B 49 -5.287 9.117 -5.477 1.00 0.00 S ATOM 0 H CYS B 49 -5.422 6.468 -4.743 1.00 0.00 H new ATOM 0 HA CYS B 49 -2.999 6.990 -3.341 1.00 0.00 H new ATOM 0 HB2 CYS B 49 -3.089 9.131 -4.538 1.00 0.00 H new ATOM 0 HB3 CYS B 49 -3.329 7.750 -5.590 1.00 0.00 H new ATOM 1621 N PRO B 50 -3.515 8.821 -1.538 1.00 0.00 N ATOM 1622 CA PRO B 50 -3.888 9.574 -0.338 1.00 0.00 C ATOM 1623 C PRO B 50 -4.922 10.688 -0.576 1.00 0.00 C ATOM 1624 O PRO B 50 -5.724 10.965 0.318 1.00 0.00 O ATOM 1625 CB PRO B 50 -2.581 10.103 0.269 1.00 0.00 C ATOM 1626 CG PRO B 50 -1.530 9.885 -0.819 1.00 0.00 C ATOM 1627 CD PRO B 50 -2.060 8.670 -1.573 1.00 0.00 C ATOM 0 HA PRO B 50 -4.407 8.911 0.354 1.00 0.00 H new ATOM 0 HB2 PRO B 50 -2.665 11.157 0.532 1.00 0.00 H new ATOM 0 HB3 PRO B 50 -2.323 9.566 1.182 1.00 0.00 H new ATOM 0 HG2 PRO B 50 -1.437 10.754 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO B 50 -0.544 9.698 -0.395 1.00 0.00 H new ATOM 0 HD2 PRO B 50 -1.688 8.646 -2.597 1.00 0.00 H new ATOM 0 HD3 PRO B 50 -1.746 7.740 -1.098 1.00 0.00 H new ATOM 1635 N TRP B 51 -4.951 11.283 -1.776 1.00 0.00 N ATOM 1636 CA TRP B 51 -5.958 12.241 -2.213 1.00 0.00 C ATOM 1637 C TRP B 51 -7.352 11.605 -2.145 1.00 0.00 C ATOM 1638 O TRP B 51 -8.152 11.985 -1.287 1.00 0.00 O ATOM 1639 CB TRP B 51 -5.593 12.750 -3.621 1.00 0.00 C ATOM 1640 CG TRP B 51 -6.633 13.571 -4.326 1.00 0.00 C ATOM 1641 CD1 TRP B 51 -7.322 14.603 -3.789 1.00 0.00 C ATOM 1642 CD2 TRP B 51 -7.113 13.451 -5.703 1.00 0.00 C ATOM 1643 NE1 TRP B 51 -8.227 15.091 -4.709 1.00 0.00 N ATOM 1644 CE2 TRP B 51 -8.139 14.420 -5.910 1.00 0.00 C ATOM 1645 CE3 TRP B 51 -6.783 12.626 -6.801 1.00 0.00 C ATOM 1646 CZ2 TRP B 51 -8.819 14.548 -7.132 1.00 0.00 C ATOM 1647 CZ3 TRP B 51 -7.454 12.748 -8.033 1.00 0.00 C ATOM 1648 CH2 TRP B 51 -8.473 13.702 -8.199 1.00 0.00 C ATOM 0 H TRP B 51 -4.246 11.099 -2.490 1.00 0.00 H new ATOM 0 HA TRP B 51 -5.980 13.106 -1.549 1.00 0.00 H new ATOM 0 HB2 TRP B 51 -4.683 13.345 -3.544 1.00 0.00 H new ATOM 0 HB3 TRP B 51 -5.358 11.888 -4.245 1.00 0.00 H new ATOM 0 HD1 TRP B 51 -7.184 14.988 -2.789 1.00 0.00 H new ATOM 0 HE1 TRP B 51 -8.879 15.853 -4.524 1.00 0.00 H new ATOM 0 HE3 TRP B 51 -6.002 11.888 -6.694 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 -9.598 15.287 -7.250 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 -7.184 12.104 -8.857 1.00 0.00 H new ATOM 0 HH2 TRP B 51 -8.989 13.784 -9.144 1.00 0.00 H new ATOM 1659 N CYS B 52 -7.643 10.638 -3.022 1.00 0.00 N ATOM 1660 CA CYS B 52 -8.958 10.010 -3.123 1.00 0.00 C ATOM 1661 C CYS B 52 -9.321 9.189 -1.886 1.00 0.00 C ATOM 1662 O CYS B 52 -10.505 9.004 -1.586 1.00 0.00 O ATOM 1663 CB CYS B 52 -8.984 9.086 -4.335 1.00 0.00 C ATOM 1664 SG CYS B 52 -8.626 9.900 -5.895 1.00 0.00 S ATOM 0 H CYS B 52 -6.963 10.268 -3.687 1.00 0.00 H new ATOM 0 HA CYS B 52 -9.687 10.815 -3.217 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -8.260 8.286 -4.182 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -9.967 8.619 -4.400 1.00 0.00 H new ATOM 1669 N ALA B 53 -8.307 8.685 -1.180 1.00 0.00 N ATOM 1670 CA ALA B 53 -8.452 8.029 0.103 1.00 0.00 C ATOM 1671 C ALA B 53 -9.082 8.978 1.121 1.00 0.00 C ATOM 1672 O ALA B 53 -10.088 8.625 1.743 1.00 0.00 O ATOM 1673 CB ALA B 53 -7.072 7.590 0.580 1.00 0.00 C ATOM 0 H ALA B 53 -7.340 8.728 -1.501 1.00 0.00 H new ATOM 0 HA ALA B 53 -9.105 7.163 0.000 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -7.162 7.093 1.546 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -6.639 6.900 -0.144 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -6.427 8.463 0.679 1.00 0.00 H new ATOM 1679 N THR B 54 -8.475 10.161 1.281 1.00 0.00 N ATOM 1680 CA THR B 54 -8.885 11.182 2.236 1.00 0.00 C ATOM 1681 C THR B 54 -10.217 11.806 1.814 1.00 0.00 C ATOM 1682 O THR B 54 -11.109 11.959 2.644 1.00 0.00 O ATOM 1683 CB THR B 54 -7.782 12.255 2.344 1.00 0.00 C ATOM 1684 OG1 THR B 54 -6.535 11.650 2.614 1.00 0.00 O ATOM 1685 CG2 THR B 54 -8.056 13.274 3.454 1.00 0.00 C ATOM 0 H THR B 54 -7.662 10.436 0.730 1.00 0.00 H new ATOM 0 HA THR B 54 -9.028 10.724 3.215 1.00 0.00 H new ATOM 0 HB THR B 54 -7.770 12.775 1.386 1.00 0.00 H new ATOM 0 HG1 THR B 54 -6.229 11.163 1.820 1.00 0.00 H new ATOM 0 HG21 THR B 54 -7.248 14.005 3.484 1.00 0.00 H new ATOM 0 HG22 THR B 54 -8.999 13.783 3.256 1.00 0.00 H new ATOM 0 HG23 THR B 54 -8.116 12.760 4.413 1.00 0.00 H new ATOM 1693 N ASN B 55 -10.340 12.185 0.535 1.00 0.00 N ATOM 1694 CA ASN B 55 -11.494 12.936 0.037 1.00 0.00 C ATOM 1695 C ASN B 55 -12.726 12.053 -0.107 1.00 0.00 C ATOM 1696 O ASN B 55 -13.830 12.568 0.052 1.00 0.00 O ATOM 1697 CB ASN B 55 -11.189 13.601 -1.315 1.00 0.00 C ATOM 1698 CG ASN B 55 -10.281 14.807 -1.137 1.00 0.00 C ATOM 1699 OD1 ASN B 55 -10.719 15.949 -1.154 1.00 0.00 O ATOM 1700 ND2 ASN B 55 -8.998 14.574 -0.915 1.00 0.00 N ATOM 0 H ASN B 55 -9.643 11.979 -0.180 1.00 0.00 H new ATOM 0 HA ASN B 55 -11.701 13.708 0.778 1.00 0.00 H new ATOM 0 HB2 ASN B 55 -10.715 12.879 -1.980 1.00 0.00 H new ATOM 0 HB3 ASN B 55 -12.120 13.909 -1.791 1.00 0.00 H new ATOM 0 HD21 ASN B 55 -8.359 15.352 -0.755 1.00 0.00 H new ATOM 0 HD22 ASN B 55 -8.648 13.616 -0.904 1.00 0.00 H new ATOM 1707 N GLN B 56 -12.514 10.755 -0.381 1.00 0.00 N ATOM 1708 CA GLN B 56 -13.474 9.824 -0.960 1.00 0.00 C ATOM 1709 C GLN B 56 -13.639 10.112 -2.456 1.00 0.00 C ATOM 1710 O GLN B 56 -14.062 9.155 -3.141 1.00 0.00 O ATOM 1711 CB GLN B 56 -14.786 9.779 -0.160 1.00 0.00 C ATOM 1712 CG GLN B 56 -15.713 8.611 -0.554 1.00 0.00 C ATOM 1713 CD GLN B 56 -16.100 7.655 0.573 1.00 0.00 C ATOM 1714 OE1 GLN B 56 -15.575 7.696 1.686 1.00 0.00 O ATOM 1715 NE2 GLN B 56 -16.965 6.708 0.245 1.00 0.00 N ATOM 0 H GLN B 56 -11.616 10.311 -0.191 1.00 0.00 H new ATOM 0 HA GLN B 56 -13.089 8.807 -0.885 1.00 0.00 H new ATOM 0 HB2 GLN B 56 -14.551 9.703 0.902 1.00 0.00 H new ATOM 0 HB3 GLN B 56 -15.320 10.719 -0.302 1.00 0.00 H new ATOM 0 HG2 GLN B 56 -16.626 9.026 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN B 56 -15.225 8.035 -1.341 1.00 0.00 H new ATOM 0 HE21 GLN B 56 -17.384 6.700 -0.685 1.00 0.00 H new ATOM 0 HE22 GLN B 56 -17.213 5.987 0.922 1.00 0.00 H new TER 1724 GLN B 56 HETATM 1725 ZN ZN A 57 7.192 7.540 4.700 1.00 0.00 ZN HETATM 1726 ZN ZN B 57 -7.202 7.977 -6.569 1.00 0.00 ZN