USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 944 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 TYR OH : rot -81:sc= 0.996 USER MOD Set 1.2: A 94 THR OG1 : rot -62:sc= -2.4 USER MOD Set 2.1: A 15 ASN :FLIP amide:sc= -2.6! C(o=-6.5!,f=-4!) USER MOD Set 2.2: A 107 ASN :FLIP amide:sc= -1.36 X(o=-4,f=-4) USER MOD Set 3.1: A 7 LYS NZ :NH3+ -149:sc= -4.22! (180deg=-6.06!) USER MOD Set 3.2: A 10 CYS SG : rot 72:sc= -3.54! USER MOD Single : A 3 THR OG1 : rot 27:sc= 0.771 USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= -0.0978 (180deg=-0.678) USER MOD Single : A 14 TYR OH : rot 180:sc= -0.723 USER MOD Single : A 28 THR OG1 : rot -74:sc= -2.86! USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 41 GLN :FLIP amide:sc= -6.95! C(o=-10!,f=-6.9!) USER MOD Single : A 45 TYR OH : rot -15:sc= -1.29! USER MOD Single : A 46 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.23) USER MOD Single : A 47 HIS : no HD1:sc= -0.305 X(o=-0.31,f=-0.11) USER MOD Single : A 50 GLN : amide:sc= -4.85! C(o=-4.8!,f=-6.7!) USER MOD Single : A 51 GLN :FLIP amide:sc= 0.366 F(o=-1.5,f=0.37) USER MOD Single : A 52 CYS SG : rot 6:sc= -0.606 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.688 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0597 USER MOD Single : A 74 SER OG : rot 170:sc= -0.633 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -170:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= -0.173 USER MOD Single : A 90 GLN : amide:sc= -1.91! C(o=-1.9!,f=-11!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot -92:sc= 1.04 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 76:sc= -0.772! USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 110 LYS NZ :NH3+ -112:sc= -0.879 (180deg=-2.27!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -150:sc= -0.319 (180deg=-1.53!) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -9.640 -16.996 4.875 1.00 0.00 N ATOM 31 CA THR A 3 -8.917 -15.715 4.637 1.00 0.00 C ATOM 32 C THR A 3 -8.958 -14.863 5.908 1.00 0.00 C ATOM 33 O THR A 3 -9.972 -14.768 6.570 1.00 0.00 O ATOM 34 CB THR A 3 -9.589 -14.954 3.492 1.00 0.00 C ATOM 35 OG1 THR A 3 -10.211 -15.880 2.612 1.00 0.00 O ATOM 36 CG2 THR A 3 -8.539 -14.146 2.727 1.00 0.00 C ATOM 0 HA THR A 3 -7.881 -15.927 4.374 1.00 0.00 H new ATOM 0 HB THR A 3 -10.340 -14.276 3.897 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.449 -16.692 3.106 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.019 -13.605 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.063 -13.436 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.786 -14.821 2.320 1.00 0.00 H new ATOM 44 N LYS A 4 -7.860 -14.245 6.253 1.00 0.00 N ATOM 45 CA LYS A 4 -7.832 -13.399 7.481 1.00 0.00 C ATOM 46 C LYS A 4 -7.158 -12.063 7.160 1.00 0.00 C ATOM 47 O LYS A 4 -6.022 -12.021 6.727 1.00 0.00 O ATOM 48 CB LYS A 4 -7.043 -14.119 8.577 1.00 0.00 C ATOM 49 CG LYS A 4 -7.980 -15.040 9.360 1.00 0.00 C ATOM 50 CD LYS A 4 -8.493 -14.308 10.603 1.00 0.00 C ATOM 51 CE LYS A 4 -9.403 -15.240 11.404 1.00 0.00 C ATOM 52 NZ LYS A 4 -10.540 -15.681 10.548 1.00 0.00 N ATOM 0 H LYS A 4 -6.981 -14.290 5.737 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.851 -13.220 7.825 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -6.232 -14.698 8.135 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.586 -13.392 9.248 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.818 -15.344 8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.454 -15.949 9.651 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.654 -13.983 11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.040 -13.411 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.839 -16.105 11.752 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.778 -14.727 12.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.304 -16.050 11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.893 -14.873 9.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.217 -16.428 9.900 1.00 0.00 H new ATOM 66 N ILE A 5 -7.848 -10.974 7.367 1.00 0.00 N ATOM 67 CA ILE A 5 -7.250 -9.642 7.072 1.00 0.00 C ATOM 68 C ILE A 5 -6.919 -8.922 8.382 1.00 0.00 C ATOM 69 O ILE A 5 -7.701 -8.913 9.311 1.00 0.00 O ATOM 70 CB ILE A 5 -8.246 -8.808 6.262 1.00 0.00 C ATOM 71 CG1 ILE A 5 -7.487 -7.764 5.442 1.00 0.00 C ATOM 72 CG2 ILE A 5 -9.221 -8.103 7.209 1.00 0.00 C ATOM 73 CD1 ILE A 5 -7.075 -8.371 4.101 1.00 0.00 C ATOM 0 H ILE A 5 -8.802 -10.950 7.728 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.334 -9.774 6.497 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.804 -9.463 5.593 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.114 -6.887 5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.605 -7.428 5.988 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.928 -7.511 6.628 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.764 -8.847 7.792 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -8.666 -7.449 7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.534 -7.627 3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.432 -9.234 4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.965 -8.685 3.555 1.00 0.00 H new ATOM 85 N ASP A 6 -5.764 -8.314 8.461 1.00 0.00 N ATOM 86 CA ASP A 6 -5.385 -7.591 9.707 1.00 0.00 C ATOM 87 C ASP A 6 -5.681 -6.101 9.529 1.00 0.00 C ATOM 88 O ASP A 6 -4.900 -5.253 9.914 1.00 0.00 O ATOM 89 CB ASP A 6 -3.892 -7.787 9.978 1.00 0.00 C ATOM 90 CG ASP A 6 -3.084 -6.851 9.079 1.00 0.00 C ATOM 91 OD1 ASP A 6 -2.877 -7.198 7.927 1.00 0.00 O ATOM 92 OD2 ASP A 6 -2.684 -5.802 9.558 1.00 0.00 O ATOM 0 H ASP A 6 -5.068 -8.288 7.716 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.957 -7.982 10.548 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.672 -7.582 11.026 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.610 -8.823 9.789 1.00 0.00 H new ATOM 97 N LYS A 7 -6.798 -5.777 8.941 1.00 0.00 N ATOM 98 CA LYS A 7 -7.143 -4.343 8.729 1.00 0.00 C ATOM 99 C LYS A 7 -6.792 -3.533 9.978 1.00 0.00 C ATOM 100 O LYS A 7 -6.661 -2.327 9.929 1.00 0.00 O ATOM 101 CB LYS A 7 -8.642 -4.221 8.444 1.00 0.00 C ATOM 102 CG LYS A 7 -8.861 -3.836 6.979 1.00 0.00 C ATOM 103 CD LYS A 7 -8.616 -2.336 6.806 1.00 0.00 C ATOM 104 CE LYS A 7 -8.469 -2.011 5.320 1.00 0.00 C ATOM 105 NZ LYS A 7 -7.200 -2.601 4.805 1.00 0.00 N ATOM 0 H LYS A 7 -7.489 -6.444 8.597 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.575 -3.956 7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.141 -5.166 8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -9.086 -3.470 9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.186 -4.402 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.877 -4.087 6.673 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.444 -1.770 7.233 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.716 -2.039 7.345 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -9.319 -2.408 4.764 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -8.467 -0.931 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.826 -2.006 4.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.503 -2.652 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.384 -3.558 4.442 1.00 0.00 H new ATOM 119 N GLU A 8 -6.637 -4.185 11.098 1.00 0.00 N ATOM 120 CA GLU A 8 -6.294 -3.445 12.344 1.00 0.00 C ATOM 121 C GLU A 8 -5.075 -2.555 12.090 1.00 0.00 C ATOM 122 O GLU A 8 -4.969 -1.467 12.620 1.00 0.00 O ATOM 123 CB GLU A 8 -5.973 -4.445 13.457 1.00 0.00 C ATOM 124 CG GLU A 8 -7.067 -4.388 14.525 1.00 0.00 C ATOM 125 CD GLU A 8 -6.818 -5.477 15.570 1.00 0.00 C ATOM 126 OE1 GLU A 8 -5.688 -5.596 16.015 1.00 0.00 O ATOM 127 OE2 GLU A 8 -7.761 -6.173 15.908 1.00 0.00 O ATOM 0 H GLU A 8 -6.733 -5.195 11.203 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.139 -2.825 12.644 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -5.903 -5.452 13.046 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -5.005 -4.213 13.900 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -7.074 -3.407 15.001 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.046 -4.527 14.066 1.00 0.00 H new ATOM 134 N ALA A 9 -4.150 -3.009 11.287 1.00 0.00 N ATOM 135 CA ALA A 9 -2.938 -2.188 11.007 1.00 0.00 C ATOM 136 C ALA A 9 -3.289 -1.056 10.037 1.00 0.00 C ATOM 137 O ALA A 9 -3.196 0.109 10.369 1.00 0.00 O ATOM 138 CB ALA A 9 -1.856 -3.072 10.385 1.00 0.00 C ATOM 0 H ALA A 9 -4.182 -3.912 10.814 1.00 0.00 H new ATOM 0 HA ALA A 9 -2.571 -1.761 11.940 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.969 -2.472 10.180 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.599 -3.874 11.077 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.227 -3.501 9.454 1.00 0.00 H new ATOM 144 N CYS A 10 -3.683 -1.386 8.835 1.00 0.00 N ATOM 145 CA CYS A 10 -4.025 -0.326 7.847 1.00 0.00 C ATOM 146 C CYS A 10 -4.881 0.753 8.516 1.00 0.00 C ATOM 147 O CYS A 10 -4.532 1.915 8.518 1.00 0.00 O ATOM 148 CB CYS A 10 -4.804 -0.942 6.684 1.00 0.00 C ATOM 149 SG CYS A 10 -6.333 -0.010 6.424 1.00 0.00 S ATOM 0 H CYS A 10 -3.782 -2.343 8.497 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.105 0.124 7.474 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.198 -0.928 5.778 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.033 -1.986 6.898 1.00 0.00 H new ATOM 0 HG CYS A 10 -6.053 1.147 5.901 1.00 0.00 H new ATOM 155 N ARG A 11 -6.008 0.388 9.067 1.00 0.00 N ATOM 156 CA ARG A 11 -6.883 1.408 9.712 1.00 0.00 C ATOM 157 C ARG A 11 -6.039 2.358 10.564 1.00 0.00 C ATOM 158 O ARG A 11 -6.022 3.552 10.342 1.00 0.00 O ATOM 159 CB ARG A 11 -7.912 0.703 10.601 1.00 0.00 C ATOM 160 CG ARG A 11 -8.823 1.746 11.258 1.00 0.00 C ATOM 161 CD ARG A 11 -10.281 1.489 10.863 1.00 0.00 C ATOM 162 NE ARG A 11 -10.384 1.253 9.385 1.00 0.00 N ATOM 163 CZ ARG A 11 -9.902 2.108 8.521 1.00 0.00 C ATOM 164 NH1 ARG A 11 -9.488 3.283 8.910 1.00 0.00 N ATOM 165 NH2 ARG A 11 -9.889 1.805 7.251 1.00 0.00 N ATOM 0 H ARG A 11 -6.359 -0.569 9.098 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.395 1.982 8.940 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.506 0.009 10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.405 0.115 11.366 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.718 1.702 12.342 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.525 2.748 10.949 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.665 0.624 11.404 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.898 2.342 11.146 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.841 0.406 9.046 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.539 3.541 9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.114 3.943 8.229 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.254 0.905 6.938 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.514 2.468 6.572 1.00 0.00 H new ATOM 179 N ALA A 12 -5.340 1.843 11.538 1.00 0.00 N ATOM 180 CA ALA A 12 -4.504 2.727 12.400 1.00 0.00 C ATOM 181 C ALA A 12 -3.514 3.507 11.530 1.00 0.00 C ATOM 182 O ALA A 12 -3.224 4.659 11.786 1.00 0.00 O ATOM 183 CB ALA A 12 -3.732 1.873 13.407 1.00 0.00 C ATOM 0 H ALA A 12 -5.311 0.851 11.774 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.148 3.427 12.932 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.120 2.518 14.038 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.435 1.319 14.029 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.089 1.173 12.873 1.00 0.00 H new ATOM 189 N ALA A 13 -2.989 2.891 10.507 1.00 0.00 N ATOM 190 CA ALA A 13 -2.014 3.603 9.631 1.00 0.00 C ATOM 191 C ALA A 13 -2.763 4.486 8.630 1.00 0.00 C ATOM 192 O ALA A 13 -2.175 5.303 7.950 1.00 0.00 O ATOM 193 CB ALA A 13 -1.171 2.577 8.873 1.00 0.00 C ATOM 0 H ALA A 13 -3.192 1.928 10.239 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.367 4.228 10.246 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.457 3.095 8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.632 1.952 9.585 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.822 1.952 8.261 1.00 0.00 H new ATOM 199 N TYR A 14 -4.054 4.328 8.528 1.00 0.00 N ATOM 200 CA TYR A 14 -4.831 5.160 7.566 1.00 0.00 C ATOM 201 C TYR A 14 -5.129 6.524 8.187 1.00 0.00 C ATOM 202 O TYR A 14 -4.869 7.555 7.600 1.00 0.00 O ATOM 203 CB TYR A 14 -6.149 4.459 7.231 1.00 0.00 C ATOM 204 CG TYR A 14 -5.978 3.624 5.984 1.00 0.00 C ATOM 205 CD1 TYR A 14 -4.801 2.893 5.785 1.00 0.00 C ATOM 206 CD2 TYR A 14 -6.998 3.582 5.027 1.00 0.00 C ATOM 207 CE1 TYR A 14 -4.646 2.118 4.629 1.00 0.00 C ATOM 208 CE2 TYR A 14 -6.843 2.809 3.871 1.00 0.00 C ATOM 209 CZ TYR A 14 -5.666 2.076 3.673 1.00 0.00 C ATOM 210 OH TYR A 14 -5.514 1.312 2.533 1.00 0.00 O ATOM 0 H TYR A 14 -4.604 3.660 9.068 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.246 5.295 6.656 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.458 3.827 8.064 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.937 5.197 7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.013 2.927 6.523 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.906 4.147 5.181 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.739 1.553 4.476 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.630 2.778 3.132 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.315 1.394 1.975 1.00 0.00 H new ATOM 220 N ASN A 15 -5.677 6.539 9.371 1.00 0.00 N ATOM 221 CA ASN A 15 -5.994 7.838 10.026 1.00 0.00 C ATOM 222 C ASN A 15 -4.715 8.450 10.600 1.00 0.00 C ATOM 223 O ASN A 15 -4.690 9.597 10.998 1.00 0.00 O ATOM 224 CB ASN A 15 -7.002 7.606 11.154 1.00 0.00 C ATOM 225 CG ASN A 15 -7.021 6.123 11.525 1.00 0.00 C ATOM 226 OD1 ASN A 15 -7.602 5.270 10.725 1.00 0.00 O flip ATOM 227 ND2 ASN A 15 -6.502 5.735 12.553 1.00 0.00 N flip ATOM 0 H ASN A 15 -5.918 5.709 9.912 1.00 0.00 H new ATOM 0 HA ASN A 15 -6.421 8.520 9.291 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -6.735 8.206 12.024 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.995 7.926 10.840 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -6.048 6.401 13.178 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -6.520 4.743 12.791 1.00 0.00 H new ATOM 234 N LEU A 16 -3.650 7.695 10.644 1.00 0.00 N ATOM 235 CA LEU A 16 -2.375 8.239 11.191 1.00 0.00 C ATOM 236 C LEU A 16 -1.705 9.120 10.134 1.00 0.00 C ATOM 237 O LEU A 16 -1.318 10.240 10.402 1.00 0.00 O ATOM 238 CB LEU A 16 -1.444 7.082 11.560 1.00 0.00 C ATOM 239 CG LEU A 16 -0.123 7.636 12.098 1.00 0.00 C ATOM 240 CD1 LEU A 16 -0.395 8.505 13.328 1.00 0.00 C ATOM 241 CD2 LEU A 16 0.794 6.475 12.489 1.00 0.00 C ATOM 0 H LEU A 16 -3.608 6.727 10.325 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.583 8.833 12.081 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.916 6.447 12.310 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.259 6.458 10.686 1.00 0.00 H new ATOM 0 HG LEU A 16 0.358 8.238 11.327 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.547 8.899 13.710 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.049 9.332 13.052 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.877 7.904 14.099 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.736 6.868 12.872 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.311 5.874 13.259 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.989 5.855 11.614 1.00 0.00 H new ATOM 253 N VAL A 17 -1.565 8.623 8.936 1.00 0.00 N ATOM 254 CA VAL A 17 -0.920 9.433 7.864 1.00 0.00 C ATOM 255 C VAL A 17 -1.693 10.740 7.677 1.00 0.00 C ATOM 256 O VAL A 17 -1.320 11.587 6.889 1.00 0.00 O ATOM 257 CB VAL A 17 -0.926 8.645 6.553 1.00 0.00 C ATOM 258 CG1 VAL A 17 0.007 7.440 6.678 1.00 0.00 C ATOM 259 CG2 VAL A 17 -2.347 8.162 6.257 1.00 0.00 C ATOM 0 H VAL A 17 -1.869 7.691 8.653 1.00 0.00 H new ATOM 0 HA VAL A 17 0.108 9.656 8.148 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.583 9.286 5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.003 6.878 5.744 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.019 7.784 6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.335 6.797 7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.353 7.600 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.690 7.520 7.069 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.012 9.021 6.168 1.00 0.00 H new ATOM 269 N ARG A 18 -2.768 10.911 8.396 1.00 0.00 N ATOM 270 CA ARG A 18 -3.564 12.162 8.260 1.00 0.00 C ATOM 271 C ARG A 18 -2.889 13.284 9.052 1.00 0.00 C ATOM 272 O ARG A 18 -3.493 14.295 9.352 1.00 0.00 O ATOM 273 CB ARG A 18 -4.975 11.931 8.806 1.00 0.00 C ATOM 274 CG ARG A 18 -6.003 12.501 7.828 1.00 0.00 C ATOM 275 CD ARG A 18 -7.414 12.221 8.346 1.00 0.00 C ATOM 276 NE ARG A 18 -7.333 11.638 9.715 1.00 0.00 N ATOM 277 CZ ARG A 18 -8.396 11.594 10.470 1.00 0.00 C ATOM 278 NH1 ARG A 18 -9.531 12.061 10.026 1.00 0.00 N ATOM 279 NH2 ARG A 18 -8.325 11.084 11.669 1.00 0.00 N ATOM 0 H ARG A 18 -3.129 10.238 9.072 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.623 12.443 7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.149 10.865 8.952 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.081 12.408 9.780 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.854 13.574 7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.871 12.053 6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.996 13.143 8.365 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.929 11.533 7.676 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.446 11.273 10.062 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.587 12.460 9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.362 12.027 10.616 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.438 10.719 12.016 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.157 11.050 12.259 1.00 0.00 H new ATOM 335 N ALA A 23 4.413 10.006 9.807 1.00 0.00 N ATOM 336 CA ALA A 23 5.302 8.844 9.525 1.00 0.00 C ATOM 337 C ALA A 23 4.506 7.757 8.800 1.00 0.00 C ATOM 338 O ALA A 23 3.296 7.822 8.703 1.00 0.00 O ATOM 339 CB ALA A 23 5.844 8.285 10.843 1.00 0.00 C ATOM 0 HA ALA A 23 6.133 9.166 8.897 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.494 7.435 10.638 1.00 0.00 H new ATOM 0 HB2 ALA A 23 6.411 9.059 11.361 1.00 0.00 H new ATOM 0 HB3 ALA A 23 5.013 7.963 11.471 1.00 0.00 H new ATOM 345 N VAL A 24 5.174 6.758 8.290 1.00 0.00 N ATOM 346 CA VAL A 24 4.453 5.669 7.572 1.00 0.00 C ATOM 347 C VAL A 24 3.561 6.277 6.485 1.00 0.00 C ATOM 348 O VAL A 24 2.364 6.074 6.471 1.00 0.00 O ATOM 349 CB VAL A 24 3.584 4.892 8.567 1.00 0.00 C ATOM 350 CG1 VAL A 24 2.669 3.928 7.809 1.00 0.00 C ATOM 351 CG2 VAL A 24 4.482 4.095 9.515 1.00 0.00 C ATOM 0 H VAL A 24 6.187 6.649 8.340 1.00 0.00 H new ATOM 0 HA VAL A 24 5.176 4.994 7.114 1.00 0.00 H new ATOM 0 HB VAL A 24 2.978 5.594 9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.053 3.377 8.519 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.027 4.492 7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.275 3.227 7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.864 3.542 10.223 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.089 3.396 8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.134 4.778 10.059 1.00 0.00 H new ATOM 361 N ILE A 25 4.125 7.029 5.577 1.00 0.00 N ATOM 362 CA ILE A 25 3.282 7.641 4.513 1.00 0.00 C ATOM 363 C ILE A 25 2.349 6.560 3.933 1.00 0.00 C ATOM 364 O ILE A 25 1.202 6.825 3.636 1.00 0.00 O ATOM 365 CB ILE A 25 4.176 8.268 3.431 1.00 0.00 C ATOM 366 CG1 ILE A 25 3.308 8.736 2.254 1.00 0.00 C ATOM 367 CG2 ILE A 25 5.218 7.252 2.963 1.00 0.00 C ATOM 368 CD1 ILE A 25 4.179 9.426 1.200 1.00 0.00 C ATOM 0 H ILE A 25 5.121 7.243 5.527 1.00 0.00 H new ATOM 0 HA ILE A 25 2.667 8.440 4.928 1.00 0.00 H new ATOM 0 HB ILE A 25 4.699 9.130 3.845 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.793 7.884 1.810 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.540 9.423 2.609 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.848 7.703 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.836 6.949 3.808 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.714 6.378 2.550 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.554 9.754 0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.674 10.289 1.645 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.930 8.726 0.834 1.00 0.00 H new ATOM 380 N TRP A 26 2.810 5.334 3.811 1.00 0.00 N ATOM 381 CA TRP A 26 1.913 4.250 3.300 1.00 0.00 C ATOM 382 C TRP A 26 2.301 2.913 3.943 1.00 0.00 C ATOM 383 O TRP A 26 3.438 2.701 4.315 1.00 0.00 O ATOM 384 CB TRP A 26 1.996 4.141 1.775 1.00 0.00 C ATOM 385 CG TRP A 26 3.421 4.066 1.313 1.00 0.00 C ATOM 386 CD1 TRP A 26 4.178 5.125 0.935 1.00 0.00 C ATOM 387 CD2 TRP A 26 4.265 2.891 1.149 1.00 0.00 C ATOM 388 NE1 TRP A 26 5.431 4.677 0.567 1.00 0.00 N ATOM 389 CE2 TRP A 26 5.535 3.309 0.680 1.00 0.00 C ATOM 390 CE3 TRP A 26 4.061 1.517 1.365 1.00 0.00 C ATOM 391 CZ2 TRP A 26 6.560 2.399 0.434 1.00 0.00 C ATOM 392 CZ3 TRP A 26 5.093 0.600 1.115 1.00 0.00 C ATOM 393 CH2 TRP A 26 6.338 1.039 0.654 1.00 0.00 C ATOM 0 H TRP A 26 3.760 5.042 4.041 1.00 0.00 H new ATOM 0 HA TRP A 26 0.886 4.498 3.567 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.456 3.255 1.441 1.00 0.00 H new ATOM 0 HB3 TRP A 26 1.508 5.003 1.319 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.853 6.155 0.924 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.187 5.285 0.250 1.00 0.00 H new ATOM 0 HE3 TRP A 26 3.105 1.166 1.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.519 2.743 0.076 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.924 -0.454 1.280 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.127 0.326 0.468 1.00 0.00 H new ATOM 404 N VAL A 27 1.358 2.014 4.088 1.00 0.00 N ATOM 405 CA VAL A 27 1.663 0.693 4.719 1.00 0.00 C ATOM 406 C VAL A 27 1.542 -0.418 3.674 1.00 0.00 C ATOM 407 O VAL A 27 0.964 -0.232 2.623 1.00 0.00 O ATOM 408 CB VAL A 27 0.669 0.427 5.850 1.00 0.00 C ATOM 409 CG1 VAL A 27 1.096 1.191 7.104 1.00 0.00 C ATOM 410 CG2 VAL A 27 -0.725 0.894 5.421 1.00 0.00 C ATOM 0 H VAL A 27 0.389 2.139 3.796 1.00 0.00 H new ATOM 0 HA VAL A 27 2.678 0.711 5.116 1.00 0.00 H new ATOM 0 HB VAL A 27 0.648 -0.641 6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.385 0.998 7.907 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.088 0.861 7.411 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.120 2.259 6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.436 0.705 6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.700 1.961 5.202 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.033 0.348 4.529 1.00 0.00 H new ATOM 420 N THR A 28 2.087 -1.575 3.952 1.00 0.00 N ATOM 421 CA THR A 28 2.001 -2.688 2.966 1.00 0.00 C ATOM 422 C THR A 28 1.879 -4.035 3.687 1.00 0.00 C ATOM 423 O THR A 28 2.672 -4.358 4.549 1.00 0.00 O ATOM 424 CB THR A 28 3.272 -2.705 2.116 1.00 0.00 C ATOM 425 OG1 THR A 28 4.304 -2.013 2.804 1.00 0.00 O ATOM 426 CG2 THR A 28 3.001 -2.031 0.772 1.00 0.00 C ATOM 0 H THR A 28 2.585 -1.794 4.815 1.00 0.00 H new ATOM 0 HA THR A 28 1.122 -2.533 2.340 1.00 0.00 H new ATOM 0 HB THR A 28 3.581 -3.735 1.940 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.133 -1.049 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.909 -2.045 0.169 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.209 -2.568 0.249 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.691 -0.999 0.938 1.00 0.00 H new ATOM 434 N PHE A 29 0.914 -4.837 3.315 1.00 0.00 N ATOM 435 CA PHE A 29 0.767 -6.179 3.950 1.00 0.00 C ATOM 436 C PHE A 29 0.719 -7.221 2.842 1.00 0.00 C ATOM 437 O PHE A 29 -0.142 -7.193 1.986 1.00 0.00 O ATOM 438 CB PHE A 29 -0.516 -6.261 4.784 1.00 0.00 C ATOM 439 CG PHE A 29 -1.511 -5.228 4.327 1.00 0.00 C ATOM 440 CD1 PHE A 29 -1.488 -3.944 4.882 1.00 0.00 C ATOM 441 CD2 PHE A 29 -2.471 -5.560 3.365 1.00 0.00 C ATOM 442 CE1 PHE A 29 -2.427 -2.992 4.475 1.00 0.00 C ATOM 443 CE2 PHE A 29 -3.407 -4.607 2.955 1.00 0.00 C ATOM 444 CZ PHE A 29 -3.385 -3.324 3.511 1.00 0.00 C ATOM 0 H PHE A 29 0.222 -4.619 2.598 1.00 0.00 H new ATOM 0 HA PHE A 29 1.610 -6.356 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.951 -7.257 4.696 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.282 -6.108 5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.746 -3.689 5.624 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.489 -6.552 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.413 -2.001 4.904 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.146 -4.861 2.210 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.109 -2.588 3.195 1.00 0.00 H new ATOM 454 N ARG A 30 1.646 -8.132 2.841 1.00 0.00 N ATOM 455 CA ARG A 30 1.663 -9.167 1.775 1.00 0.00 C ATOM 456 C ARG A 30 1.094 -10.474 2.314 1.00 0.00 C ATOM 457 O ARG A 30 1.273 -10.816 3.466 1.00 0.00 O ATOM 458 CB ARG A 30 3.099 -9.386 1.306 1.00 0.00 C ATOM 459 CG ARG A 30 3.988 -9.718 2.508 1.00 0.00 C ATOM 460 CD ARG A 30 5.448 -9.786 2.059 1.00 0.00 C ATOM 461 NE ARG A 30 6.339 -9.667 3.248 1.00 0.00 N ATOM 462 CZ ARG A 30 7.599 -9.992 3.155 1.00 0.00 C ATOM 463 NH1 ARG A 30 8.080 -10.422 2.021 1.00 0.00 N ATOM 464 NH2 ARG A 30 8.379 -9.889 4.197 1.00 0.00 N ATOM 0 H ARG A 30 2.393 -8.205 3.532 1.00 0.00 H new ATOM 0 HA ARG A 30 1.053 -8.833 0.936 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.135 -10.198 0.579 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.468 -8.492 0.804 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.869 -8.960 3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.686 -10.670 2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.637 -10.727 1.542 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.660 -8.985 1.351 1.00 0.00 H new ATOM 0 HE ARG A 30 5.963 -9.331 4.135 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.471 -10.504 1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.065 -10.676 1.948 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.003 -9.554 5.084 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.364 -10.143 4.124 1.00 0.00 H new ATOM 478 N TYR A 31 0.401 -11.202 1.488 1.00 0.00 N ATOM 479 CA TYR A 31 -0.192 -12.482 1.945 1.00 0.00 C ATOM 480 C TYR A 31 0.860 -13.304 2.678 1.00 0.00 C ATOM 481 O TYR A 31 1.660 -13.988 2.070 1.00 0.00 O ATOM 482 CB TYR A 31 -0.688 -13.271 0.734 1.00 0.00 C ATOM 483 CG TYR A 31 -1.389 -12.342 -0.225 1.00 0.00 C ATOM 484 CD1 TYR A 31 -0.640 -11.578 -1.130 1.00 0.00 C ATOM 485 CD2 TYR A 31 -2.784 -12.243 -0.213 1.00 0.00 C ATOM 486 CE1 TYR A 31 -1.289 -10.716 -2.022 1.00 0.00 C ATOM 487 CE2 TYR A 31 -3.434 -11.381 -1.105 1.00 0.00 C ATOM 488 CZ TYR A 31 -2.685 -10.618 -2.009 1.00 0.00 C ATOM 489 OH TYR A 31 -3.323 -9.768 -2.888 1.00 0.00 O ATOM 0 H TYR A 31 0.220 -10.963 0.513 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.024 -12.273 2.618 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.151 -13.758 0.236 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -1.369 -14.059 1.055 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.437 -11.654 -1.139 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.361 -12.832 0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.713 -10.127 -2.720 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -4.511 -11.305 -1.096 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.294 -8.853 -2.537 1.00 0.00 H new ATOM 499 N ASP A 32 0.859 -13.262 3.979 1.00 0.00 N ATOM 500 CA ASP A 32 1.852 -14.066 4.733 1.00 0.00 C ATOM 501 C ASP A 32 1.213 -15.410 5.065 1.00 0.00 C ATOM 502 O ASP A 32 0.407 -15.519 5.967 1.00 0.00 O ATOM 503 CB ASP A 32 2.232 -13.341 6.025 1.00 0.00 C ATOM 504 CG ASP A 32 3.659 -12.804 5.910 1.00 0.00 C ATOM 505 OD1 ASP A 32 3.998 -12.300 4.852 1.00 0.00 O ATOM 506 OD2 ASP A 32 4.389 -12.905 6.882 1.00 0.00 O ATOM 0 H ASP A 32 0.218 -12.709 4.548 1.00 0.00 H new ATOM 0 HA ASP A 32 2.754 -14.210 4.138 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.538 -12.521 6.212 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.156 -14.022 6.872 1.00 0.00 H new ATOM 511 N GLY A 33 1.554 -16.434 4.336 1.00 0.00 N ATOM 512 CA GLY A 33 0.950 -17.765 4.607 1.00 0.00 C ATOM 513 C GLY A 33 -0.556 -17.694 4.345 1.00 0.00 C ATOM 514 O GLY A 33 -0.990 -17.425 3.243 1.00 0.00 O ATOM 0 H GLY A 33 2.223 -16.407 3.566 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.407 -18.522 3.970 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.139 -18.060 5.639 1.00 0.00 H new ATOM 518 N ALA A 34 -1.350 -17.946 5.348 1.00 0.00 N ATOM 519 CA ALA A 34 -2.829 -17.906 5.156 1.00 0.00 C ATOM 520 C ALA A 34 -3.418 -16.675 5.851 1.00 0.00 C ATOM 521 O ALA A 34 -4.577 -16.654 6.213 1.00 0.00 O ATOM 522 CB ALA A 34 -3.451 -19.170 5.753 1.00 0.00 C ATOM 0 H ALA A 34 -1.040 -18.178 6.292 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.048 -17.852 4.090 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.532 -19.144 5.614 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.042 -20.048 5.253 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.223 -19.220 6.818 1.00 0.00 H new ATOM 528 N THR A 35 -2.633 -15.647 6.037 1.00 0.00 N ATOM 529 CA THR A 35 -3.159 -14.420 6.702 1.00 0.00 C ATOM 530 C THR A 35 -2.484 -13.175 6.114 1.00 0.00 C ATOM 531 O THR A 35 -1.278 -13.118 5.982 1.00 0.00 O ATOM 532 CB THR A 35 -2.868 -14.493 8.204 1.00 0.00 C ATOM 533 OG1 THR A 35 -3.241 -15.773 8.694 1.00 0.00 O ATOM 534 CG2 THR A 35 -3.669 -13.412 8.934 1.00 0.00 C ATOM 0 H THR A 35 -1.653 -15.604 5.758 1.00 0.00 H new ATOM 0 HA THR A 35 -4.234 -14.356 6.536 1.00 0.00 H new ATOM 0 HB THR A 35 -1.804 -14.332 8.377 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.054 -15.823 9.655 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.461 -13.465 10.003 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.383 -12.430 8.557 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.734 -13.570 8.763 1.00 0.00 H new ATOM 542 N ILE A 36 -3.250 -12.172 5.774 1.00 0.00 N ATOM 543 CA ILE A 36 -2.649 -10.927 5.210 1.00 0.00 C ATOM 544 C ILE A 36 -2.102 -10.085 6.365 1.00 0.00 C ATOM 545 O ILE A 36 -2.846 -9.597 7.193 1.00 0.00 O ATOM 546 CB ILE A 36 -3.725 -10.138 4.453 1.00 0.00 C ATOM 547 CG1 ILE A 36 -4.055 -10.859 3.145 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.222 -8.725 4.139 1.00 0.00 C ATOM 549 CD1 ILE A 36 -4.530 -12.282 3.450 1.00 0.00 C ATOM 0 H ILE A 36 -4.266 -12.161 5.862 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.843 -11.176 4.520 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.618 -10.068 5.074 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.828 -10.315 2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.175 -10.888 2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.994 -8.175 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.988 -8.207 5.069 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.325 -8.787 3.523 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.765 -12.795 2.517 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.743 -12.824 3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.421 -12.242 4.076 1.00 0.00 H new ATOM 561 N VAL A 37 -0.806 -9.927 6.442 1.00 0.00 N ATOM 562 CA VAL A 37 -0.218 -9.134 7.561 1.00 0.00 C ATOM 563 C VAL A 37 0.862 -8.185 7.026 1.00 0.00 C ATOM 564 O VAL A 37 1.498 -8.462 6.029 1.00 0.00 O ATOM 565 CB VAL A 37 0.413 -10.100 8.568 1.00 0.00 C ATOM 566 CG1 VAL A 37 -0.341 -11.431 8.538 1.00 0.00 C ATOM 567 CG2 VAL A 37 1.878 -10.341 8.196 1.00 0.00 C ATOM 0 H VAL A 37 -0.132 -10.312 5.780 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.001 -8.545 8.039 1.00 0.00 H new ATOM 0 HB VAL A 37 0.356 -9.669 9.568 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.107 -12.119 9.254 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.386 -11.263 8.801 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.283 -11.860 7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.327 -11.029 8.913 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.933 -10.772 7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.418 -9.395 8.214 1.00 0.00 H new ATOM 577 N PRO A 38 1.077 -7.076 7.694 1.00 0.00 N ATOM 578 CA PRO A 38 2.104 -6.080 7.295 1.00 0.00 C ATOM 579 C PRO A 38 3.347 -6.733 6.688 1.00 0.00 C ATOM 580 O PRO A 38 3.796 -7.771 7.132 1.00 0.00 O ATOM 581 CB PRO A 38 2.447 -5.396 8.615 1.00 0.00 C ATOM 582 CG PRO A 38 1.195 -5.461 9.433 1.00 0.00 C ATOM 583 CD PRO A 38 0.366 -6.642 8.908 1.00 0.00 C ATOM 0 HA PRO A 38 1.742 -5.400 6.524 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.271 -5.902 9.117 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.758 -4.364 8.454 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.432 -5.597 10.488 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.633 -4.531 9.350 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.308 -7.445 9.643 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.657 -6.341 8.683 1.00 0.00 H new ATOM 591 N GLY A 39 3.909 -6.124 5.682 1.00 0.00 N ATOM 592 CA GLY A 39 5.128 -6.692 5.044 1.00 0.00 C ATOM 593 C GLY A 39 6.160 -5.582 4.901 1.00 0.00 C ATOM 594 O GLY A 39 7.346 -5.779 5.079 1.00 0.00 O ATOM 0 H GLY A 39 3.574 -5.252 5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.528 -7.506 5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.884 -7.111 4.068 1.00 0.00 H new ATOM 598 N ASP A 40 5.698 -4.413 4.589 1.00 0.00 N ATOM 599 CA ASP A 40 6.607 -3.254 4.433 1.00 0.00 C ATOM 600 C ASP A 40 5.906 -2.008 4.961 1.00 0.00 C ATOM 601 O ASP A 40 4.786 -2.058 5.428 1.00 0.00 O ATOM 602 CB ASP A 40 6.946 -3.052 2.960 1.00 0.00 C ATOM 603 CG ASP A 40 8.422 -3.378 2.723 1.00 0.00 C ATOM 604 OD1 ASP A 40 9.258 -2.643 3.222 1.00 0.00 O ATOM 605 OD2 ASP A 40 8.690 -4.357 2.046 1.00 0.00 O ATOM 0 H ASP A 40 4.711 -4.207 4.432 1.00 0.00 H new ATOM 0 HA ASP A 40 7.527 -3.435 4.989 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.318 -3.692 2.341 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.739 -2.023 2.667 1.00 0.00 H new ATOM 610 N GLN A 41 6.566 -0.896 4.888 1.00 0.00 N ATOM 611 CA GLN A 41 5.957 0.369 5.383 1.00 0.00 C ATOM 612 C GLN A 41 6.100 1.457 4.334 1.00 0.00 C ATOM 613 O GLN A 41 6.409 1.198 3.192 1.00 0.00 O ATOM 614 CB GLN A 41 6.671 0.829 6.644 1.00 0.00 C ATOM 615 CG GLN A 41 8.048 1.399 6.275 1.00 0.00 C ATOM 616 CD GLN A 41 8.734 0.484 5.253 1.00 0.00 C ATOM 617 OE1 GLN A 41 8.572 0.705 3.972 1.00 0.00 O flip ATOM 618 NE2 GLN A 41 9.428 -0.444 5.623 1.00 0.00 N flip ATOM 0 H GLN A 41 7.507 -0.803 4.505 1.00 0.00 H new ATOM 0 HA GLN A 41 4.903 0.185 5.593 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.077 1.587 7.155 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.785 -0.006 7.335 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.938 2.402 5.862 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.666 1.488 7.169 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.556 -0.619 6.620 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.882 -1.047 4.937 1.00 0.00 H new ATOM 627 N GLY A 42 5.887 2.678 4.723 1.00 0.00 N ATOM 628 CA GLY A 42 6.017 3.790 3.758 1.00 0.00 C ATOM 629 C GLY A 42 6.706 4.974 4.430 1.00 0.00 C ATOM 630 O GLY A 42 6.107 5.734 5.165 1.00 0.00 O ATOM 0 H GLY A 42 5.628 2.952 5.671 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.592 3.466 2.890 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.033 4.087 3.395 1.00 0.00 H new ATOM 634 N ALA A 43 7.967 5.134 4.151 1.00 0.00 N ATOM 635 CA ALA A 43 8.745 6.263 4.724 1.00 0.00 C ATOM 636 C ALA A 43 9.605 6.836 3.602 1.00 0.00 C ATOM 637 O ALA A 43 10.798 7.007 3.741 1.00 0.00 O ATOM 638 CB ALA A 43 9.645 5.753 5.851 1.00 0.00 C ATOM 0 H ALA A 43 8.501 4.518 3.538 1.00 0.00 H new ATOM 0 HA ALA A 43 8.079 7.023 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.213 6.585 6.268 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.031 5.305 6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.333 5.005 5.457 1.00 0.00 H new ATOM 644 N ASP A 44 8.985 7.127 2.489 1.00 0.00 N ATOM 645 CA ASP A 44 9.713 7.682 1.313 1.00 0.00 C ATOM 646 C ASP A 44 8.907 7.344 0.055 1.00 0.00 C ATOM 647 O ASP A 44 8.874 6.214 -0.387 1.00 0.00 O ATOM 648 CB ASP A 44 11.110 7.060 1.199 1.00 0.00 C ATOM 649 CG ASP A 44 12.143 7.999 1.827 1.00 0.00 C ATOM 650 OD1 ASP A 44 11.750 8.827 2.632 1.00 0.00 O ATOM 651 OD2 ASP A 44 13.309 7.874 1.493 1.00 0.00 O ATOM 0 H ASP A 44 7.983 7.000 2.344 1.00 0.00 H new ATOM 0 HA ASP A 44 9.825 8.760 1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.130 6.093 1.701 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.355 6.881 0.152 1.00 0.00 H new ATOM 656 N TYR A 45 8.264 8.316 -0.523 1.00 0.00 N ATOM 657 CA TYR A 45 7.461 8.060 -1.754 1.00 0.00 C ATOM 658 C TYR A 45 8.359 7.375 -2.794 1.00 0.00 C ATOM 659 O TYR A 45 7.895 6.836 -3.776 1.00 0.00 O ATOM 660 CB TYR A 45 6.964 9.403 -2.296 1.00 0.00 C ATOM 661 CG TYR A 45 5.861 9.204 -3.312 1.00 0.00 C ATOM 662 CD1 TYR A 45 4.663 8.578 -2.942 1.00 0.00 C ATOM 663 CD2 TYR A 45 6.032 9.668 -4.622 1.00 0.00 C ATOM 664 CE1 TYR A 45 3.640 8.414 -3.887 1.00 0.00 C ATOM 665 CE2 TYR A 45 5.009 9.506 -5.563 1.00 0.00 C ATOM 666 CZ TYR A 45 3.812 8.879 -5.196 1.00 0.00 C ATOM 667 OH TYR A 45 2.804 8.720 -6.124 1.00 0.00 O ATOM 0 H TYR A 45 8.258 9.282 -0.197 1.00 0.00 H new ATOM 0 HA TYR A 45 6.609 7.417 -1.534 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.599 10.018 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 45 7.792 9.943 -2.755 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.528 8.223 -1.931 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.955 10.152 -4.907 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.718 7.928 -3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.143 9.865 -6.573 1.00 0.00 H new ATOM 0 HH TYR A 45 2.153 8.068 -5.791 1.00 0.00 H new ATOM 677 N GLN A 46 9.647 7.403 -2.588 1.00 0.00 N ATOM 678 CA GLN A 46 10.571 6.760 -3.559 1.00 0.00 C ATOM 679 C GLN A 46 10.710 5.267 -3.237 1.00 0.00 C ATOM 680 O GLN A 46 10.754 4.430 -4.119 1.00 0.00 O ATOM 681 CB GLN A 46 11.936 7.435 -3.464 1.00 0.00 C ATOM 682 CG GLN A 46 11.842 8.852 -4.032 1.00 0.00 C ATOM 683 CD GLN A 46 11.641 8.784 -5.547 1.00 0.00 C ATOM 684 OE1 GLN A 46 12.586 8.604 -6.290 1.00 0.00 O ATOM 685 NE2 GLN A 46 10.441 8.923 -6.041 1.00 0.00 N ATOM 0 H GLN A 46 10.098 7.845 -1.787 1.00 0.00 H new ATOM 0 HA GLN A 46 10.174 6.868 -4.568 1.00 0.00 H new ATOM 0 HB2 GLN A 46 12.266 7.469 -2.426 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.678 6.859 -4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 46 11.013 9.386 -3.568 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.750 9.409 -3.800 1.00 0.00 H new ATOM 0 HE21 GLN A 46 9.647 9.074 -5.418 1.00 0.00 H new ATOM 0 HE22 GLN A 46 10.297 8.881 -7.050 1.00 0.00 H new ATOM 694 N HIS A 47 10.797 4.931 -1.977 1.00 0.00 N ATOM 695 CA HIS A 47 10.954 3.498 -1.597 1.00 0.00 C ATOM 696 C HIS A 47 9.745 2.689 -2.065 1.00 0.00 C ATOM 697 O HIS A 47 9.876 1.557 -2.481 1.00 0.00 O ATOM 698 CB HIS A 47 11.078 3.383 -0.078 1.00 0.00 C ATOM 699 CG HIS A 47 12.507 3.090 0.287 1.00 0.00 C ATOM 700 ND1 HIS A 47 13.145 3.718 1.349 1.00 0.00 N ATOM 701 CD2 HIS A 47 13.439 2.237 -0.257 1.00 0.00 C ATOM 702 CE1 HIS A 47 14.402 3.240 1.409 1.00 0.00 C ATOM 703 NE2 HIS A 47 14.628 2.337 0.453 1.00 0.00 N ATOM 0 H HIS A 47 10.766 5.587 -1.196 1.00 0.00 H new ATOM 0 HA HIS A 47 11.852 3.105 -2.074 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.753 4.310 0.395 1.00 0.00 H new ATOM 0 HB3 HIS A 47 10.427 2.591 0.292 1.00 0.00 H new ATOM 0 HD2 HIS A 47 13.272 1.590 -1.105 1.00 0.00 H new ATOM 0 HE1 HIS A 47 15.135 3.549 2.139 1.00 0.00 H new ATOM 0 HE2 HIS A 47 15.494 1.826 0.280 1.00 0.00 H new ATOM 712 N PHE A 48 8.569 3.246 -2.003 1.00 0.00 N ATOM 713 CA PHE A 48 7.379 2.477 -2.446 1.00 0.00 C ATOM 714 C PHE A 48 7.574 2.084 -3.913 1.00 0.00 C ATOM 715 O PHE A 48 7.372 0.949 -4.297 1.00 0.00 O ATOM 716 CB PHE A 48 6.111 3.334 -2.255 1.00 0.00 C ATOM 717 CG PHE A 48 5.586 3.844 -3.577 1.00 0.00 C ATOM 718 CD1 PHE A 48 5.067 2.961 -4.534 1.00 0.00 C ATOM 719 CD2 PHE A 48 5.614 5.214 -3.839 1.00 0.00 C ATOM 720 CE1 PHE A 48 4.587 3.453 -5.753 1.00 0.00 C ATOM 721 CE2 PHE A 48 5.133 5.707 -5.054 1.00 0.00 C ATOM 722 CZ PHE A 48 4.623 4.828 -6.012 1.00 0.00 C ATOM 0 H PHE A 48 8.383 4.191 -1.668 1.00 0.00 H new ATOM 0 HA PHE A 48 7.261 1.571 -1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.341 2.742 -1.760 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.335 4.177 -1.601 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.038 1.901 -4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.009 5.895 -3.100 1.00 0.00 H new ATOM 0 HE1 PHE A 48 4.190 2.773 -6.492 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.155 6.768 -5.253 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.256 5.210 -6.953 1.00 0.00 H new ATOM 732 N ILE A 49 7.963 3.018 -4.733 1.00 0.00 N ATOM 733 CA ILE A 49 8.172 2.714 -6.177 1.00 0.00 C ATOM 734 C ILE A 49 8.992 1.431 -6.339 1.00 0.00 C ATOM 735 O ILE A 49 8.695 0.599 -7.174 1.00 0.00 O ATOM 736 CB ILE A 49 8.916 3.879 -6.834 1.00 0.00 C ATOM 737 CG1 ILE A 49 8.158 5.174 -6.542 1.00 0.00 C ATOM 738 CG2 ILE A 49 8.989 3.658 -8.348 1.00 0.00 C ATOM 739 CD1 ILE A 49 8.327 6.151 -7.707 1.00 0.00 C ATOM 0 H ILE A 49 8.147 3.985 -4.465 1.00 0.00 H new ATOM 0 HA ILE A 49 7.202 2.574 -6.654 1.00 0.00 H new ATOM 0 HB ILE A 49 9.928 3.942 -6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.101 4.959 -6.387 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.531 5.624 -5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 49 9.519 4.490 -8.812 1.00 0.00 H new ATOM 0 HG22 ILE A 49 9.520 2.729 -8.555 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.980 3.598 -8.756 1.00 0.00 H new ATOM 0 HD11 ILE A 49 7.784 7.071 -7.492 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.385 6.377 -7.842 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.933 5.702 -8.619 1.00 0.00 H new ATOM 751 N GLN A 50 10.034 1.267 -5.568 1.00 0.00 N ATOM 752 CA GLN A 50 10.871 0.039 -5.712 1.00 0.00 C ATOM 753 C GLN A 50 10.289 -1.108 -4.877 1.00 0.00 C ATOM 754 O GLN A 50 10.709 -2.242 -4.994 1.00 0.00 O ATOM 755 CB GLN A 50 12.310 0.342 -5.270 1.00 0.00 C ATOM 756 CG GLN A 50 12.497 0.015 -3.786 1.00 0.00 C ATOM 757 CD GLN A 50 12.752 -1.485 -3.618 1.00 0.00 C ATOM 758 OE1 GLN A 50 13.285 -2.125 -4.501 1.00 0.00 O ATOM 759 NE2 GLN A 50 12.390 -2.075 -2.511 1.00 0.00 N ATOM 0 H GLN A 50 10.340 1.924 -4.850 1.00 0.00 H new ATOM 0 HA GLN A 50 10.874 -0.267 -6.758 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.010 -0.241 -5.868 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.537 1.393 -5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.334 0.584 -3.381 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.610 0.308 -3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.942 -1.537 -1.769 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.555 -3.074 -2.388 1.00 0.00 H new ATOM 768 N GLN A 51 9.328 -0.831 -4.038 1.00 0.00 N ATOM 769 CA GLN A 51 8.734 -1.921 -3.207 1.00 0.00 C ATOM 770 C GLN A 51 7.606 -2.603 -3.979 1.00 0.00 C ATOM 771 O GLN A 51 6.885 -3.421 -3.443 1.00 0.00 O ATOM 772 CB GLN A 51 8.170 -1.334 -1.914 1.00 0.00 C ATOM 773 CG GLN A 51 9.299 -0.689 -1.114 1.00 0.00 C ATOM 774 CD GLN A 51 9.604 -1.559 0.100 1.00 0.00 C ATOM 775 OE1 GLN A 51 9.478 -2.851 -0.004 1.00 0.00 O flip ATOM 776 NE2 GLN A 51 9.957 -1.061 1.150 1.00 0.00 N flip ATOM 0 H GLN A 51 8.929 0.096 -3.891 1.00 0.00 H new ATOM 0 HA GLN A 51 9.509 -2.650 -2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.403 -0.594 -2.142 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.693 -2.117 -1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.188 -0.584 -1.735 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.011 0.313 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 51 10.054 -0.049 1.227 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.156 -1.655 1.955 1.00 0.00 H new ATOM 785 N CYS A 52 7.447 -2.276 -5.231 1.00 0.00 N ATOM 786 CA CYS A 52 6.363 -2.909 -6.035 1.00 0.00 C ATOM 787 C CYS A 52 6.940 -3.421 -7.355 1.00 0.00 C ATOM 788 O CYS A 52 6.472 -3.072 -8.421 1.00 0.00 O ATOM 789 CB CYS A 52 5.273 -1.874 -6.323 1.00 0.00 C ATOM 790 SG CYS A 52 6.037 -0.332 -6.883 1.00 0.00 S ATOM 0 H CYS A 52 8.020 -1.598 -5.733 1.00 0.00 H new ATOM 0 HA CYS A 52 5.936 -3.743 -5.478 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.590 -2.251 -7.084 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.681 -1.694 -5.425 1.00 0.00 H new ATOM 0 HG CYS A 52 7.315 -0.512 -7.036 1.00 0.00 H new ATOM 796 N THR A 53 7.954 -4.240 -7.298 1.00 0.00 N ATOM 797 CA THR A 53 8.555 -4.764 -8.558 1.00 0.00 C ATOM 798 C THR A 53 7.623 -5.806 -9.185 1.00 0.00 C ATOM 799 O THR A 53 6.771 -6.370 -8.528 1.00 0.00 O ATOM 800 CB THR A 53 9.907 -5.413 -8.248 1.00 0.00 C ATOM 801 OG1 THR A 53 9.695 -6.700 -7.685 1.00 0.00 O ATOM 802 CG2 THR A 53 10.678 -4.540 -7.256 1.00 0.00 C ATOM 0 H THR A 53 8.391 -4.568 -6.437 1.00 0.00 H new ATOM 0 HA THR A 53 8.696 -3.940 -9.257 1.00 0.00 H new ATOM 0 HB THR A 53 10.484 -5.510 -9.168 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.560 -7.117 -7.488 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.640 -5.002 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.840 -3.553 -7.690 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.103 -4.442 -6.335 1.00 0.00 H new ATOM 810 N ASP A 54 7.778 -6.058 -10.458 1.00 0.00 N ATOM 811 CA ASP A 54 6.904 -7.056 -11.142 1.00 0.00 C ATOM 812 C ASP A 54 7.102 -8.443 -10.523 1.00 0.00 C ATOM 813 O ASP A 54 6.606 -9.430 -11.030 1.00 0.00 O ATOM 814 CB ASP A 54 7.262 -7.109 -12.628 1.00 0.00 C ATOM 815 CG ASP A 54 8.777 -6.968 -12.793 1.00 0.00 C ATOM 816 OD1 ASP A 54 9.489 -7.831 -12.306 1.00 0.00 O ATOM 817 OD2 ASP A 54 9.199 -6.000 -13.404 1.00 0.00 O ATOM 0 H ASP A 54 8.475 -5.614 -11.056 1.00 0.00 H new ATOM 0 HA ASP A 54 5.862 -6.758 -11.022 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.924 -8.051 -13.061 1.00 0.00 H new ATOM 0 HB3 ASP A 54 6.751 -6.310 -13.165 1.00 0.00 H new ATOM 822 N ASP A 55 7.820 -8.527 -9.434 1.00 0.00 N ATOM 823 CA ASP A 55 8.047 -9.851 -8.785 1.00 0.00 C ATOM 824 C ASP A 55 7.422 -9.851 -7.388 1.00 0.00 C ATOM 825 O ASP A 55 7.795 -10.630 -6.533 1.00 0.00 O ATOM 826 CB ASP A 55 9.551 -10.109 -8.669 1.00 0.00 C ATOM 827 CG ASP A 55 10.151 -10.268 -10.066 1.00 0.00 C ATOM 828 OD1 ASP A 55 9.416 -10.113 -11.028 1.00 0.00 O ATOM 829 OD2 ASP A 55 11.336 -10.544 -10.152 1.00 0.00 O ATOM 0 H ASP A 55 8.259 -7.735 -8.966 1.00 0.00 H new ATOM 0 HA ASP A 55 7.587 -10.634 -9.388 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.033 -9.283 -8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.732 -11.008 -8.080 1.00 0.00 H new ATOM 834 N VAL A 56 6.476 -8.984 -7.147 1.00 0.00 N ATOM 835 CA VAL A 56 5.834 -8.941 -5.803 1.00 0.00 C ATOM 836 C VAL A 56 4.349 -8.596 -5.949 1.00 0.00 C ATOM 837 O VAL A 56 3.930 -8.015 -6.929 1.00 0.00 O ATOM 838 CB VAL A 56 6.517 -7.875 -4.940 1.00 0.00 C ATOM 839 CG1 VAL A 56 6.700 -8.412 -3.519 1.00 0.00 C ATOM 840 CG2 VAL A 56 7.885 -7.530 -5.532 1.00 0.00 C ATOM 0 H VAL A 56 6.121 -8.306 -7.821 1.00 0.00 H new ATOM 0 HA VAL A 56 5.936 -9.917 -5.328 1.00 0.00 H new ATOM 0 HB VAL A 56 5.897 -6.979 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.186 -7.655 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.726 -8.655 -3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 56 7.318 -9.309 -3.546 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.367 -6.772 -4.915 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.506 -8.425 -5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.757 -7.147 -6.544 1.00 0.00 H new ATOM 850 N ARG A 57 3.554 -8.944 -4.972 1.00 0.00 N ATOM 851 CA ARG A 57 2.099 -8.629 -5.045 1.00 0.00 C ATOM 852 C ARG A 57 1.630 -8.093 -3.688 1.00 0.00 C ATOM 853 O ARG A 57 1.674 -8.783 -2.689 1.00 0.00 O ATOM 854 CB ARG A 57 1.308 -9.892 -5.402 1.00 0.00 C ATOM 855 CG ARG A 57 2.268 -11.072 -5.581 1.00 0.00 C ATOM 856 CD ARG A 57 2.915 -11.412 -4.236 1.00 0.00 C ATOM 857 NE ARG A 57 4.397 -11.552 -4.396 1.00 0.00 N ATOM 858 CZ ARG A 57 4.908 -12.234 -5.388 1.00 0.00 C ATOM 859 NH1 ARG A 57 4.131 -12.873 -6.217 1.00 0.00 N ATOM 860 NH2 ARG A 57 6.204 -12.295 -5.535 1.00 0.00 N ATOM 0 H ARG A 57 3.850 -9.433 -4.127 1.00 0.00 H new ATOM 0 HA ARG A 57 1.930 -7.876 -5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.586 -10.114 -4.616 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.741 -9.730 -6.319 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.729 -11.938 -5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 57 3.036 -10.822 -6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.693 -10.631 -3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.495 -12.339 -3.846 1.00 0.00 H new ATOM 0 HE ARG A 57 5.019 -11.108 -3.720 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.119 -12.843 -6.094 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.535 -13.403 -6.989 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.815 -11.811 -4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.605 -12.826 -6.308 1.00 0.00 H new ATOM 874 N LEU A 58 1.190 -6.863 -3.637 1.00 0.00 N ATOM 875 CA LEU A 58 0.738 -6.298 -2.335 1.00 0.00 C ATOM 876 C LEU A 58 -0.177 -5.090 -2.546 1.00 0.00 C ATOM 877 O LEU A 58 -0.378 -4.631 -3.652 1.00 0.00 O ATOM 878 CB LEU A 58 1.965 -5.918 -1.462 1.00 0.00 C ATOM 879 CG LEU A 58 2.867 -4.790 -2.053 1.00 0.00 C ATOM 880 CD1 LEU A 58 3.579 -5.243 -3.323 1.00 0.00 C ATOM 881 CD2 LEU A 58 2.077 -3.508 -2.347 1.00 0.00 C ATOM 0 H LEU A 58 1.125 -6.231 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 58 0.161 -7.060 -1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.611 -5.603 -0.480 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.575 -6.809 -1.310 1.00 0.00 H new ATOM 0 HG LEU A 58 3.610 -4.571 -1.286 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.197 -4.430 -3.704 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.209 -6.104 -3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.840 -5.520 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.748 -2.753 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.289 -3.723 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.632 -3.135 -1.425 1.00 0.00 H new ATOM 893 N PHE A 59 -0.715 -4.559 -1.477 1.00 0.00 N ATOM 894 CA PHE A 59 -1.598 -3.362 -1.591 1.00 0.00 C ATOM 895 C PHE A 59 -0.857 -2.162 -0.996 1.00 0.00 C ATOM 896 O PHE A 59 -0.043 -2.316 -0.110 1.00 0.00 O ATOM 897 CB PHE A 59 -2.895 -3.586 -0.809 1.00 0.00 C ATOM 898 CG PHE A 59 -3.454 -4.956 -1.113 1.00 0.00 C ATOM 899 CD1 PHE A 59 -2.811 -6.101 -0.628 1.00 0.00 C ATOM 900 CD2 PHE A 59 -4.625 -5.077 -1.871 1.00 0.00 C ATOM 901 CE1 PHE A 59 -3.339 -7.368 -0.903 1.00 0.00 C ATOM 902 CE2 PHE A 59 -5.152 -6.344 -2.147 1.00 0.00 C ATOM 903 CZ PHE A 59 -4.510 -7.490 -1.662 1.00 0.00 C ATOM 0 H PHE A 59 -0.579 -4.906 -0.527 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.844 -3.185 -2.638 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.705 -3.491 0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.625 -2.820 -1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.909 -6.007 -0.042 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.122 -4.193 -2.243 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.843 -8.252 -0.530 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.054 -6.438 -2.734 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.918 -8.468 -1.873 1.00 0.00 H new ATOM 913 N ALA A 60 -1.129 -0.971 -1.457 1.00 0.00 N ATOM 914 CA ALA A 60 -0.426 0.220 -0.896 1.00 0.00 C ATOM 915 C ALA A 60 -1.444 1.328 -0.625 1.00 0.00 C ATOM 916 O ALA A 60 -2.486 1.391 -1.246 1.00 0.00 O ATOM 917 CB ALA A 60 0.615 0.720 -1.900 1.00 0.00 C ATOM 0 H ALA A 60 -1.804 -0.771 -2.195 1.00 0.00 H new ATOM 0 HA ALA A 60 0.071 -0.056 0.034 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.128 1.590 -1.490 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.340 -0.070 -2.096 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.119 0.997 -2.831 1.00 0.00 H new ATOM 923 N PHE A 61 -1.152 2.209 0.291 1.00 0.00 N ATOM 924 CA PHE A 61 -2.104 3.315 0.593 1.00 0.00 C ATOM 925 C PHE A 61 -1.311 4.545 1.035 1.00 0.00 C ATOM 926 O PHE A 61 -0.903 4.652 2.171 1.00 0.00 O ATOM 927 CB PHE A 61 -3.043 2.873 1.717 1.00 0.00 C ATOM 928 CG PHE A 61 -3.821 4.053 2.250 1.00 0.00 C ATOM 929 CD1 PHE A 61 -5.015 4.442 1.633 1.00 0.00 C ATOM 930 CD2 PHE A 61 -3.353 4.748 3.371 1.00 0.00 C ATOM 931 CE1 PHE A 61 -5.741 5.527 2.137 1.00 0.00 C ATOM 932 CE2 PHE A 61 -4.080 5.831 3.877 1.00 0.00 C ATOM 933 CZ PHE A 61 -5.273 6.220 3.260 1.00 0.00 C ATOM 0 H PHE A 61 -0.295 2.211 0.844 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.690 3.559 -0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.731 2.113 1.346 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.467 2.416 2.522 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.376 3.905 0.768 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.430 4.448 3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.662 5.830 1.660 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.720 6.366 4.743 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.834 7.056 3.650 1.00 0.00 H new ATOM 943 N VAL A 62 -1.093 5.474 0.144 1.00 0.00 N ATOM 944 CA VAL A 62 -0.326 6.703 0.513 1.00 0.00 C ATOM 945 C VAL A 62 -1.220 7.922 0.319 1.00 0.00 C ATOM 946 O VAL A 62 -2.117 7.923 -0.499 1.00 0.00 O ATOM 947 CB VAL A 62 0.929 6.820 -0.372 1.00 0.00 C ATOM 948 CG1 VAL A 62 0.858 5.794 -1.502 1.00 0.00 C ATOM 949 CG2 VAL A 62 1.039 8.221 -0.968 1.00 0.00 C ATOM 0 H VAL A 62 -1.412 5.437 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.013 6.644 1.555 1.00 0.00 H new ATOM 0 HB VAL A 62 1.807 6.631 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.747 5.879 -2.127 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.806 4.791 -1.080 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.030 5.980 -2.107 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.932 8.283 -1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 62 0.158 8.428 -1.576 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.105 8.954 -0.164 1.00 0.00 H new ATOM 959 N ARG A 63 -0.975 8.964 1.057 1.00 0.00 N ATOM 960 CA ARG A 63 -1.806 10.191 0.906 1.00 0.00 C ATOM 961 C ARG A 63 -1.249 11.033 -0.243 1.00 0.00 C ATOM 962 O ARG A 63 -0.094 11.408 -0.246 1.00 0.00 O ATOM 963 CB ARG A 63 -1.756 11.004 2.202 1.00 0.00 C ATOM 964 CG ARG A 63 -2.414 12.371 1.976 1.00 0.00 C ATOM 965 CD ARG A 63 -1.343 13.452 1.779 1.00 0.00 C ATOM 966 NE ARG A 63 -0.314 13.372 2.867 1.00 0.00 N ATOM 967 CZ ARG A 63 -0.647 13.409 4.130 1.00 0.00 C ATOM 968 NH1 ARG A 63 -1.865 13.712 4.488 1.00 0.00 N ATOM 969 NH2 ARG A 63 0.260 13.198 5.045 1.00 0.00 N ATOM 0 H ARG A 63 -0.237 9.022 1.758 1.00 0.00 H new ATOM 0 HA ARG A 63 -2.838 9.912 0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.271 10.468 3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.722 11.135 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.063 12.329 1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.044 12.625 2.829 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -0.865 13.327 0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.808 14.438 1.781 1.00 0.00 H new ATOM 0 HE ARG A 63 0.671 13.287 2.615 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.567 13.923 3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.114 13.738 5.477 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.224 13.005 4.773 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.005 13.226 6.032 1.00 0.00 H new ATOM 983 N PHE A 64 -2.064 11.331 -1.219 1.00 0.00 N ATOM 984 CA PHE A 64 -1.588 12.147 -2.371 1.00 0.00 C ATOM 985 C PHE A 64 -2.204 13.545 -2.291 1.00 0.00 C ATOM 986 O PHE A 64 -3.244 13.740 -1.694 1.00 0.00 O ATOM 987 CB PHE A 64 -2.011 11.477 -3.679 1.00 0.00 C ATOM 988 CG PHE A 64 -1.278 10.166 -3.833 1.00 0.00 C ATOM 989 CD1 PHE A 64 0.040 10.152 -4.306 1.00 0.00 C ATOM 990 CD2 PHE A 64 -1.916 8.964 -3.504 1.00 0.00 C ATOM 991 CE1 PHE A 64 0.719 8.937 -4.450 1.00 0.00 C ATOM 992 CE2 PHE A 64 -1.237 7.749 -3.648 1.00 0.00 C ATOM 993 CZ PHE A 64 0.081 7.735 -4.121 1.00 0.00 C ATOM 0 H PHE A 64 -3.041 11.043 -1.267 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.501 12.225 -2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.088 11.306 -3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -1.790 12.131 -4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.532 11.079 -4.560 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.932 8.975 -3.139 1.00 0.00 H new ATOM 0 HE1 PHE A 64 1.735 8.926 -4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.729 6.822 -3.394 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.605 6.797 -4.232 1.00 0.00 H new ATOM 1003 N THR A 65 -1.578 14.519 -2.892 1.00 0.00 N ATOM 1004 CA THR A 65 -2.141 15.899 -2.851 1.00 0.00 C ATOM 1005 C THR A 65 -3.281 16.005 -3.864 1.00 0.00 C ATOM 1006 O THR A 65 -3.392 15.207 -4.773 1.00 0.00 O ATOM 1007 CB THR A 65 -1.046 16.908 -3.204 1.00 0.00 C ATOM 1008 OG1 THR A 65 -0.001 16.827 -2.243 1.00 0.00 O ATOM 1009 CG2 THR A 65 -1.632 18.320 -3.206 1.00 0.00 C ATOM 0 H THR A 65 -0.704 14.420 -3.408 1.00 0.00 H new ATOM 0 HA THR A 65 -2.518 16.113 -1.851 1.00 0.00 H new ATOM 0 HB THR A 65 -0.648 16.681 -4.193 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.702 17.472 -2.469 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.851 19.038 -3.458 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.432 18.381 -3.944 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.031 18.550 -2.218 1.00 0.00 H new ATOM 1017 N THR A 66 -4.130 16.987 -3.713 1.00 0.00 N ATOM 1018 CA THR A 66 -5.265 17.151 -4.665 1.00 0.00 C ATOM 1019 C THR A 66 -5.031 18.393 -5.528 1.00 0.00 C ATOM 1020 O THR A 66 -4.268 19.271 -5.176 1.00 0.00 O ATOM 1021 CB THR A 66 -6.569 17.316 -3.880 1.00 0.00 C ATOM 1022 OG1 THR A 66 -7.671 17.231 -4.772 1.00 0.00 O ATOM 1023 CG2 THR A 66 -6.578 18.677 -3.182 1.00 0.00 C ATOM 0 H THR A 66 -4.085 17.684 -2.969 1.00 0.00 H new ATOM 0 HA THR A 66 -5.333 16.271 -5.304 1.00 0.00 H new ATOM 0 HB THR A 66 -6.645 16.527 -3.132 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.507 17.335 -4.271 1.00 0.00 H new ATOM 0 HG21 THR A 66 -7.507 18.793 -2.624 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.732 18.740 -2.497 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.501 19.469 -3.927 1.00 0.00 H new ATOM 1134 N SER A 74 -6.430 16.901 0.730 1.00 0.00 N ATOM 1135 CA SER A 74 -5.467 15.798 0.444 1.00 0.00 C ATOM 1136 C SER A 74 -6.220 14.605 -0.147 1.00 0.00 C ATOM 1137 O SER A 74 -7.399 14.425 0.088 1.00 0.00 O ATOM 1138 CB SER A 74 -4.774 15.374 1.740 1.00 0.00 C ATOM 1139 OG SER A 74 -3.501 16.002 1.818 1.00 0.00 O ATOM 0 HA SER A 74 -4.719 16.145 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.383 15.653 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.660 14.290 1.768 1.00 0.00 H new ATOM 0 HG SER A 74 -3.123 15.865 2.712 1.00 0.00 H new ATOM 1145 N LYS A 75 -5.548 13.789 -0.916 1.00 0.00 N ATOM 1146 CA LYS A 75 -6.227 12.608 -1.524 1.00 0.00 C ATOM 1147 C LYS A 75 -5.787 11.333 -0.804 1.00 0.00 C ATOM 1148 O LYS A 75 -4.649 11.194 -0.400 1.00 0.00 O ATOM 1149 CB LYS A 75 -5.854 12.511 -3.003 1.00 0.00 C ATOM 1150 CG LYS A 75 -6.636 13.559 -3.798 1.00 0.00 C ATOM 1151 CD LYS A 75 -7.724 12.868 -4.622 1.00 0.00 C ATOM 1152 CE LYS A 75 -8.669 13.921 -5.206 1.00 0.00 C ATOM 1153 NZ LYS A 75 -9.805 14.144 -4.267 1.00 0.00 N ATOM 0 H LYS A 75 -4.560 13.889 -1.149 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.306 12.724 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.783 12.668 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.076 11.513 -3.380 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.085 14.285 -3.120 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -5.963 14.110 -4.455 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.272 12.285 -5.424 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.281 12.171 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.132 14.855 -5.372 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.044 13.592 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.448 14.859 -4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.322 13.252 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.439 14.476 -3.352 1.00 0.00 H new ATOM 1167 N PHE A 76 -6.684 10.400 -0.641 1.00 0.00 N ATOM 1168 CA PHE A 76 -6.332 9.127 0.051 1.00 0.00 C ATOM 1169 C PHE A 76 -6.873 7.946 -0.764 1.00 0.00 C ATOM 1170 O PHE A 76 -8.063 7.825 -0.982 1.00 0.00 O ATOM 1171 CB PHE A 76 -6.958 9.126 1.443 1.00 0.00 C ATOM 1172 CG PHE A 76 -6.400 10.269 2.256 1.00 0.00 C ATOM 1173 CD1 PHE A 76 -6.975 11.541 2.162 1.00 0.00 C ATOM 1174 CD2 PHE A 76 -5.311 10.054 3.109 1.00 0.00 C ATOM 1175 CE1 PHE A 76 -6.461 12.600 2.920 1.00 0.00 C ATOM 1176 CE2 PHE A 76 -4.797 11.112 3.868 1.00 0.00 C ATOM 1177 CZ PHE A 76 -5.373 12.385 3.774 1.00 0.00 C ATOM 0 H PHE A 76 -7.651 10.465 -0.959 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.249 9.037 0.142 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.041 9.218 1.365 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -6.754 8.179 1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.816 11.706 1.504 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.867 9.072 3.181 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.904 13.582 2.846 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.957 10.947 4.526 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.978 13.201 4.361 1.00 0.00 H new ATOM 1187 N ALA A 77 -6.009 7.092 -1.248 1.00 0.00 N ATOM 1188 CA ALA A 77 -6.488 5.950 -2.081 1.00 0.00 C ATOM 1189 C ALA A 77 -5.652 4.693 -1.834 1.00 0.00 C ATOM 1190 O ALA A 77 -4.595 4.733 -1.235 1.00 0.00 O ATOM 1191 CB ALA A 77 -6.391 6.334 -3.558 1.00 0.00 C ATOM 0 H ALA A 77 -5.000 7.135 -1.104 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.521 5.734 -1.808 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.739 5.504 -4.173 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.010 7.211 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.354 6.561 -3.808 1.00 0.00 H new ATOM 1197 N LEU A 78 -6.129 3.577 -2.316 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.396 2.290 -2.151 1.00 0.00 C ATOM 1199 C LEU A 78 -4.953 1.816 -3.537 1.00 0.00 C ATOM 1200 O LEU A 78 -5.540 2.181 -4.537 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.350 1.263 -1.512 1.00 0.00 C ATOM 1202 CG LEU A 78 -5.797 -0.169 -1.615 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -4.548 -0.315 -0.744 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -6.863 -1.150 -1.121 1.00 0.00 C ATOM 0 H LEU A 78 -7.010 3.503 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.522 2.410 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.509 1.517 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.322 1.314 -2.003 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.538 -0.379 -2.653 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.165 -1.332 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.786 0.387 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -4.802 -0.104 0.295 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.480 -2.168 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.111 -0.925 -0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.757 -1.056 -1.737 1.00 0.00 H new ATOM 1216 N ILE A 79 -3.934 1.004 -3.612 1.00 0.00 N ATOM 1217 CA ILE A 79 -3.474 0.512 -4.941 1.00 0.00 C ATOM 1218 C ILE A 79 -3.184 -0.986 -4.842 1.00 0.00 C ATOM 1219 O ILE A 79 -2.504 -1.436 -3.943 1.00 0.00 O ATOM 1220 CB ILE A 79 -2.212 1.273 -5.358 1.00 0.00 C ATOM 1221 CG1 ILE A 79 -2.630 2.561 -6.076 1.00 0.00 C ATOM 1222 CG2 ILE A 79 -1.364 0.411 -6.300 1.00 0.00 C ATOM 1223 CD1 ILE A 79 -1.401 3.430 -6.346 1.00 0.00 C ATOM 0 H ILE A 79 -3.402 0.661 -2.813 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.247 0.679 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.620 1.512 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.128 2.319 -7.015 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.348 3.110 -5.467 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.469 0.962 -6.590 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.075 -0.508 -5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -1.944 0.166 -7.190 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.706 4.343 -6.856 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.921 3.685 -5.401 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.698 2.881 -6.973 1.00 0.00 H new ATOM 1235 N THR A 80 -3.699 -1.764 -5.754 1.00 0.00 N ATOM 1236 CA THR A 80 -3.457 -3.233 -5.701 1.00 0.00 C ATOM 1237 C THR A 80 -2.280 -3.598 -6.606 1.00 0.00 C ATOM 1238 O THR A 80 -2.343 -3.459 -7.811 1.00 0.00 O ATOM 1239 CB THR A 80 -4.711 -3.971 -6.176 1.00 0.00 C ATOM 1240 OG1 THR A 80 -5.857 -3.176 -5.907 1.00 0.00 O ATOM 1241 CG2 THR A 80 -4.830 -5.306 -5.438 1.00 0.00 C ATOM 0 H THR A 80 -4.276 -1.446 -6.533 1.00 0.00 H new ATOM 0 HA THR A 80 -3.225 -3.523 -4.676 1.00 0.00 H new ATOM 0 HB THR A 80 -4.640 -4.156 -7.248 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.667 -3.706 -6.063 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.723 -5.831 -5.777 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.951 -5.916 -5.645 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.901 -5.124 -4.366 1.00 0.00 H new ATOM 1249 N TRP A 81 -1.204 -4.067 -6.034 1.00 0.00 N ATOM 1250 CA TRP A 81 -0.025 -4.443 -6.863 1.00 0.00 C ATOM 1251 C TRP A 81 -0.093 -5.931 -7.205 1.00 0.00 C ATOM 1252 O TRP A 81 0.040 -6.775 -6.344 1.00 0.00 O ATOM 1253 CB TRP A 81 1.263 -4.179 -6.079 1.00 0.00 C ATOM 1254 CG TRP A 81 2.445 -4.508 -6.938 1.00 0.00 C ATOM 1255 CD1 TRP A 81 3.362 -5.466 -6.661 1.00 0.00 C ATOM 1256 CD2 TRP A 81 2.852 -3.907 -8.203 1.00 0.00 C ATOM 1257 NE1 TRP A 81 4.301 -5.492 -7.675 1.00 0.00 N ATOM 1258 CE2 TRP A 81 4.031 -4.550 -8.646 1.00 0.00 C ATOM 1259 CE3 TRP A 81 2.319 -2.877 -9.001 1.00 0.00 C ATOM 1260 CZ2 TRP A 81 4.658 -4.187 -9.839 1.00 0.00 C ATOM 1261 CZ3 TRP A 81 2.949 -2.510 -10.201 1.00 0.00 C ATOM 1262 CH2 TRP A 81 4.116 -3.164 -10.619 1.00 0.00 C ATOM 0 H TRP A 81 -1.091 -4.206 -5.030 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.031 -3.849 -7.777 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.305 -3.135 -5.768 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.280 -4.783 -5.172 1.00 0.00 H new ATOM 0 HD1 TRP A 81 3.360 -6.105 -5.790 1.00 0.00 H new ATOM 0 HE1 TRP A 81 5.096 -6.130 -7.702 1.00 0.00 H new ATOM 0 HE3 TRP A 81 1.420 -2.366 -8.688 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.557 -4.694 -10.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 2.532 -1.719 -10.806 1.00 0.00 H new ATOM 0 HH2 TRP A 81 4.595 -2.877 -11.543 1.00 0.00 H new ATOM 1273 N ILE A 82 -0.294 -6.258 -8.453 1.00 0.00 N ATOM 1274 CA ILE A 82 -0.358 -7.693 -8.850 1.00 0.00 C ATOM 1275 C ILE A 82 0.827 -8.004 -9.769 1.00 0.00 C ATOM 1276 O ILE A 82 0.764 -7.817 -10.968 1.00 0.00 O ATOM 1277 CB ILE A 82 -1.671 -7.971 -9.589 1.00 0.00 C ATOM 1278 CG1 ILE A 82 -2.723 -6.931 -9.185 1.00 0.00 C ATOM 1279 CG2 ILE A 82 -2.173 -9.370 -9.225 1.00 0.00 C ATOM 1280 CD1 ILE A 82 -2.951 -6.982 -7.672 1.00 0.00 C ATOM 0 H ILE A 82 -0.417 -5.592 -9.216 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.314 -8.323 -7.961 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.499 -7.911 -10.664 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.393 -5.934 -9.479 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.659 -7.125 -9.709 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.107 -9.569 -9.750 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.428 -10.111 -9.516 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.342 -9.428 -8.150 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.699 -6.241 -7.392 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.301 -7.975 -7.390 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.016 -6.766 -7.156 1.00 0.00 H new ATOM 1292 N GLY A 83 1.911 -8.472 -9.213 1.00 0.00 N ATOM 1293 CA GLY A 83 3.103 -8.788 -10.050 1.00 0.00 C ATOM 1294 C GLY A 83 2.677 -9.618 -11.260 1.00 0.00 C ATOM 1295 O GLY A 83 1.658 -10.279 -11.245 1.00 0.00 O ATOM 0 H GLY A 83 2.023 -8.649 -8.215 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.583 -7.866 -10.380 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.838 -9.337 -9.461 1.00 0.00 H new ATOM 1299 N GLU A 84 3.449 -9.588 -12.311 1.00 0.00 N ATOM 1300 CA GLU A 84 3.088 -10.374 -13.524 1.00 0.00 C ATOM 1301 C GLU A 84 3.813 -11.722 -13.500 1.00 0.00 C ATOM 1302 O GLU A 84 3.568 -12.582 -14.321 1.00 0.00 O ATOM 1303 CB GLU A 84 3.499 -9.597 -14.777 1.00 0.00 C ATOM 1304 CG GLU A 84 2.480 -8.490 -15.048 1.00 0.00 C ATOM 1305 CD GLU A 84 3.160 -7.341 -15.795 1.00 0.00 C ATOM 1306 OE1 GLU A 84 4.247 -7.554 -16.306 1.00 0.00 O ATOM 1307 OE2 GLU A 84 2.582 -6.267 -15.842 1.00 0.00 O ATOM 0 H GLU A 84 4.314 -9.053 -12.382 1.00 0.00 H new ATOM 0 HA GLU A 84 2.011 -10.543 -13.536 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.491 -9.167 -14.642 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.557 -10.270 -15.632 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.651 -8.881 -15.638 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.061 -8.129 -14.109 1.00 0.00 H new ATOM 1314 N ASP A 85 4.704 -11.913 -12.565 1.00 0.00 N ATOM 1315 CA ASP A 85 5.444 -13.207 -12.493 1.00 0.00 C ATOM 1316 C ASP A 85 4.865 -14.066 -11.371 1.00 0.00 C ATOM 1317 O ASP A 85 5.509 -14.966 -10.870 1.00 0.00 O ATOM 1318 CB ASP A 85 6.924 -12.937 -12.221 1.00 0.00 C ATOM 1319 CG ASP A 85 7.649 -12.681 -13.544 1.00 0.00 C ATOM 1320 OD1 ASP A 85 6.971 -12.483 -14.539 1.00 0.00 O ATOM 1321 OD2 ASP A 85 8.869 -12.687 -13.540 1.00 0.00 O ATOM 0 H ASP A 85 4.952 -11.231 -11.849 1.00 0.00 H new ATOM 0 HA ASP A 85 5.342 -13.735 -13.441 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.032 -12.075 -11.562 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.371 -13.788 -11.708 1.00 0.00 H new ATOM 1326 N VAL A 86 3.655 -13.797 -10.971 1.00 0.00 N ATOM 1327 CA VAL A 86 3.038 -14.601 -9.883 1.00 0.00 C ATOM 1328 C VAL A 86 2.379 -15.843 -10.479 1.00 0.00 C ATOM 1329 O VAL A 86 2.885 -16.452 -11.401 1.00 0.00 O ATOM 1330 CB VAL A 86 1.981 -13.761 -9.165 1.00 0.00 C ATOM 1331 CG1 VAL A 86 1.614 -14.428 -7.839 1.00 0.00 C ATOM 1332 CG2 VAL A 86 2.540 -12.362 -8.895 1.00 0.00 C ATOM 0 H VAL A 86 3.067 -13.055 -11.351 1.00 0.00 H new ATOM 0 HA VAL A 86 3.808 -14.902 -9.173 1.00 0.00 H new ATOM 0 HB VAL A 86 1.092 -13.683 -9.790 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.861 -13.829 -7.327 1.00 0.00 H new ATOM 0 HG12 VAL A 86 1.217 -15.425 -8.031 1.00 0.00 H new ATOM 0 HG13 VAL A 86 2.503 -14.506 -7.213 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.788 -11.762 -8.383 1.00 0.00 H new ATOM 0 HG22 VAL A 86 3.429 -12.440 -8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.802 -11.886 -9.840 1.00 0.00 H new ATOM 1342 N SER A 87 1.250 -16.219 -9.955 1.00 0.00 N ATOM 1343 CA SER A 87 0.539 -17.419 -10.477 1.00 0.00 C ATOM 1344 C SER A 87 -0.967 -17.238 -10.275 1.00 0.00 C ATOM 1345 O SER A 87 -1.484 -16.142 -10.349 1.00 0.00 O ATOM 1346 CB SER A 87 1.011 -18.662 -9.720 1.00 0.00 C ATOM 1347 OG SER A 87 2.431 -18.675 -9.682 1.00 0.00 O ATOM 0 H SER A 87 0.784 -15.744 -9.182 1.00 0.00 H new ATOM 0 HA SER A 87 0.754 -17.540 -11.539 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.608 -18.660 -8.707 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.640 -19.563 -10.209 1.00 0.00 H new ATOM 0 HG SER A 87 2.738 -19.469 -9.197 1.00 0.00 H new ATOM 1353 N GLY A 88 -1.677 -18.304 -10.022 1.00 0.00 N ATOM 1354 CA GLY A 88 -3.148 -18.185 -9.819 1.00 0.00 C ATOM 1355 C GLY A 88 -3.440 -17.799 -8.366 1.00 0.00 C ATOM 1356 O GLY A 88 -4.521 -17.353 -8.038 1.00 0.00 O ATOM 0 H GLY A 88 -1.302 -19.250 -9.947 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.558 -17.434 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.635 -19.130 -10.059 1.00 0.00 H new ATOM 1360 N LEU A 89 -2.487 -17.973 -7.491 1.00 0.00 N ATOM 1361 CA LEU A 89 -2.716 -17.621 -6.060 1.00 0.00 C ATOM 1362 C LEU A 89 -3.374 -16.242 -5.964 1.00 0.00 C ATOM 1363 O LEU A 89 -4.528 -16.119 -5.607 1.00 0.00 O ATOM 1364 CB LEU A 89 -1.376 -17.599 -5.320 1.00 0.00 C ATOM 1365 CG LEU A 89 -1.188 -18.915 -4.564 1.00 0.00 C ATOM 1366 CD1 LEU A 89 -1.229 -20.082 -5.552 1.00 0.00 C ATOM 1367 CD2 LEU A 89 0.165 -18.901 -3.849 1.00 0.00 C ATOM 0 H LEU A 89 -1.561 -18.343 -7.705 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.372 -18.365 -5.607 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.560 -17.455 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.347 -16.760 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.987 -19.031 -3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.095 -21.020 -5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.191 -20.092 -6.064 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.430 -19.967 -6.284 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.301 -19.838 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.963 -18.785 -4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.196 -18.069 -3.145 1.00 0.00 H new ATOM 1379 N GLN A 90 -2.651 -15.202 -6.280 1.00 0.00 N ATOM 1380 CA GLN A 90 -3.244 -13.837 -6.204 1.00 0.00 C ATOM 1381 C GLN A 90 -4.643 -13.860 -6.824 1.00 0.00 C ATOM 1382 O GLN A 90 -5.511 -13.098 -6.445 1.00 0.00 O ATOM 1383 CB GLN A 90 -2.361 -12.851 -6.973 1.00 0.00 C ATOM 1384 CG GLN A 90 -1.376 -12.188 -6.009 1.00 0.00 C ATOM 1385 CD GLN A 90 -0.671 -13.262 -5.179 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -0.525 -14.386 -5.616 1.00 0.00 O ATOM 1387 NE2 GLN A 90 -0.226 -12.961 -3.989 1.00 0.00 N ATOM 0 H GLN A 90 -1.679 -15.238 -6.586 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.310 -13.525 -5.162 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.819 -13.371 -7.762 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.979 -12.094 -7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.643 -11.605 -6.566 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.903 -11.495 -5.353 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.349 -12.017 -3.622 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.244 -13.670 -3.426 1.00 0.00 H new ATOM 1396 N ARG A 91 -4.871 -14.721 -7.775 1.00 0.00 N ATOM 1397 CA ARG A 91 -6.216 -14.777 -8.416 1.00 0.00 C ATOM 1398 C ARG A 91 -7.291 -14.962 -7.345 1.00 0.00 C ATOM 1399 O ARG A 91 -8.132 -14.109 -7.143 1.00 0.00 O ATOM 1400 CB ARG A 91 -6.266 -15.946 -9.401 1.00 0.00 C ATOM 1401 CG ARG A 91 -7.250 -15.623 -10.527 1.00 0.00 C ATOM 1402 CD ARG A 91 -8.613 -15.271 -9.929 1.00 0.00 C ATOM 1403 NE ARG A 91 -9.663 -15.394 -10.980 1.00 0.00 N ATOM 1404 CZ ARG A 91 -10.923 -15.436 -10.643 1.00 0.00 C ATOM 1405 NH1 ARG A 91 -11.264 -15.369 -9.386 1.00 0.00 N ATOM 1406 NH2 ARG A 91 -11.842 -15.545 -11.564 1.00 0.00 N ATOM 0 H ARG A 91 -4.188 -15.387 -8.136 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.399 -13.845 -8.951 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.274 -16.131 -9.813 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.572 -16.856 -8.886 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.877 -14.790 -11.123 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.345 -16.477 -11.197 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.839 -15.935 -9.095 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.597 -14.256 -9.533 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.396 -15.445 -11.963 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -10.546 -15.284 -8.667 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -12.249 -15.402 -9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.575 -15.597 -12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -12.827 -15.578 -11.300 1.00 0.00 H new ATOM 1420 N ALA A 92 -7.278 -16.072 -6.661 1.00 0.00 N ATOM 1421 CA ALA A 92 -8.306 -16.309 -5.609 1.00 0.00 C ATOM 1422 C ALA A 92 -7.966 -15.491 -4.362 1.00 0.00 C ATOM 1423 O ALA A 92 -8.823 -14.875 -3.760 1.00 0.00 O ATOM 1424 CB ALA A 92 -8.333 -17.796 -5.250 1.00 0.00 C ATOM 0 H ALA A 92 -6.601 -16.825 -6.785 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.283 -16.005 -5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.085 -17.971 -4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.579 -18.380 -6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.354 -18.098 -4.877 1.00 0.00 H new ATOM 1430 N LYS A 93 -6.723 -15.484 -3.965 1.00 0.00 N ATOM 1431 CA LYS A 93 -6.333 -14.712 -2.752 1.00 0.00 C ATOM 1432 C LYS A 93 -6.649 -13.228 -2.950 1.00 0.00 C ATOM 1433 O LYS A 93 -7.494 -12.673 -2.277 1.00 0.00 O ATOM 1434 CB LYS A 93 -4.832 -14.884 -2.499 1.00 0.00 C ATOM 1435 CG LYS A 93 -4.617 -15.578 -1.154 1.00 0.00 C ATOM 1436 CD LYS A 93 -5.114 -17.023 -1.240 1.00 0.00 C ATOM 1437 CE LYS A 93 -5.856 -17.385 0.048 1.00 0.00 C ATOM 1438 NZ LYS A 93 -6.132 -18.849 0.068 1.00 0.00 N ATOM 0 H LYS A 93 -5.961 -15.979 -4.428 1.00 0.00 H new ATOM 0 HA LYS A 93 -6.895 -15.085 -1.896 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.383 -15.472 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.338 -13.912 -2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -3.560 -15.561 -0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -5.151 -15.045 -0.368 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.775 -17.141 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.273 -17.700 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.258 -17.105 0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.790 -16.827 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.636 -19.095 0.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -6.718 -19.103 -0.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -5.234 -19.372 0.027 1.00 0.00 H new ATOM 1452 N THR A 94 -5.980 -12.579 -3.864 1.00 0.00 N ATOM 1453 CA THR A 94 -6.255 -11.131 -4.088 1.00 0.00 C ATOM 1454 C THR A 94 -7.754 -10.930 -4.291 1.00 0.00 C ATOM 1455 O THR A 94 -8.384 -10.145 -3.612 1.00 0.00 O ATOM 1456 CB THR A 94 -5.503 -10.648 -5.331 1.00 0.00 C ATOM 1457 OG1 THR A 94 -4.231 -11.280 -5.389 1.00 0.00 O ATOM 1458 CG2 THR A 94 -5.319 -9.131 -5.264 1.00 0.00 C ATOM 0 H THR A 94 -5.260 -12.985 -4.461 1.00 0.00 H new ATOM 0 HA THR A 94 -5.921 -10.560 -3.222 1.00 0.00 H new ATOM 0 HB THR A 94 -6.076 -10.902 -6.223 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.703 -11.024 -4.604 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.783 -8.790 -6.150 1.00 0.00 H new ATOM 0 HG22 THR A 94 -6.295 -8.648 -5.222 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.747 -8.873 -4.373 1.00 0.00 H new ATOM 1466 N GLY A 95 -8.330 -11.636 -5.222 1.00 0.00 N ATOM 1467 CA GLY A 95 -9.789 -11.491 -5.479 1.00 0.00 C ATOM 1468 C GLY A 95 -10.553 -11.453 -4.153 1.00 0.00 C ATOM 1469 O GLY A 95 -11.214 -10.488 -3.831 1.00 0.00 O ATOM 0 H GLY A 95 -7.851 -12.310 -5.819 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -9.978 -10.578 -6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.144 -12.322 -6.089 1.00 0.00 H new ATOM 1473 N THR A 96 -10.494 -12.512 -3.398 1.00 0.00 N ATOM 1474 CA THR A 96 -11.242 -12.552 -2.109 1.00 0.00 C ATOM 1475 C THR A 96 -10.704 -11.507 -1.124 1.00 0.00 C ATOM 1476 O THR A 96 -11.460 -10.768 -0.524 1.00 0.00 O ATOM 1477 CB THR A 96 -11.104 -13.945 -1.492 1.00 0.00 C ATOM 1478 OG1 THR A 96 -9.752 -14.371 -1.588 1.00 0.00 O ATOM 1479 CG2 THR A 96 -12.005 -14.929 -2.238 1.00 0.00 C ATOM 0 H THR A 96 -9.960 -13.353 -3.616 1.00 0.00 H new ATOM 0 HA THR A 96 -12.289 -12.327 -2.310 1.00 0.00 H new ATOM 0 HB THR A 96 -11.401 -13.909 -0.444 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.626 -14.874 -2.420 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.905 -15.921 -1.797 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.042 -14.601 -2.163 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.712 -14.968 -3.287 1.00 0.00 H new ATOM 1487 N ASP A 97 -9.417 -11.464 -0.909 1.00 0.00 N ATOM 1488 CA ASP A 97 -8.855 -10.501 0.080 1.00 0.00 C ATOM 1489 C ASP A 97 -9.037 -9.053 -0.375 1.00 0.00 C ATOM 1490 O ASP A 97 -9.340 -8.186 0.420 1.00 0.00 O ATOM 1491 CB ASP A 97 -7.362 -10.782 0.261 1.00 0.00 C ATOM 1492 CG ASP A 97 -7.172 -11.871 1.320 1.00 0.00 C ATOM 1493 OD1 ASP A 97 -7.285 -11.555 2.493 1.00 0.00 O ATOM 1494 OD2 ASP A 97 -6.918 -13.002 0.938 1.00 0.00 O ATOM 0 H ASP A 97 -8.730 -12.055 -1.376 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.390 -10.632 1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -6.924 -11.099 -0.685 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.844 -9.872 0.563 1.00 0.00 H new ATOM 1499 N LYS A 98 -8.855 -8.766 -1.633 1.00 0.00 N ATOM 1500 CA LYS A 98 -9.025 -7.357 -2.077 1.00 0.00 C ATOM 1501 C LYS A 98 -10.460 -6.910 -1.788 1.00 0.00 C ATOM 1502 O LYS A 98 -10.735 -5.738 -1.615 1.00 0.00 O ATOM 1503 CB LYS A 98 -8.691 -7.230 -3.570 1.00 0.00 C ATOM 1504 CG LYS A 98 -9.769 -7.886 -4.444 1.00 0.00 C ATOM 1505 CD LYS A 98 -10.407 -6.837 -5.362 1.00 0.00 C ATOM 1506 CE LYS A 98 -11.315 -5.917 -4.544 1.00 0.00 C ATOM 1507 NZ LYS A 98 -12.072 -5.021 -5.462 1.00 0.00 N ATOM 0 H LYS A 98 -8.600 -9.433 -2.361 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.340 -6.710 -1.529 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.597 -6.177 -3.835 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.726 -7.696 -3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.329 -8.685 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.532 -8.343 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.631 -6.252 -5.856 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.983 -7.328 -6.146 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -12.007 -6.510 -3.945 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.719 -5.324 -3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -12.689 -4.396 -4.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.404 -4.446 -6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.652 -5.595 -6.107 1.00 0.00 H new ATOM 1521 N THR A 99 -11.373 -7.841 -1.708 1.00 0.00 N ATOM 1522 CA THR A 99 -12.783 -7.478 -1.405 1.00 0.00 C ATOM 1523 C THR A 99 -12.903 -7.199 0.093 1.00 0.00 C ATOM 1524 O THR A 99 -13.585 -6.286 0.514 1.00 0.00 O ATOM 1525 CB THR A 99 -13.706 -8.637 -1.788 1.00 0.00 C ATOM 1526 OG1 THR A 99 -13.081 -9.426 -2.790 1.00 0.00 O ATOM 1527 CG2 THR A 99 -15.029 -8.084 -2.322 1.00 0.00 C ATOM 0 H THR A 99 -11.201 -8.838 -1.840 1.00 0.00 H new ATOM 0 HA THR A 99 -13.071 -6.593 -1.973 1.00 0.00 H new ATOM 0 HB THR A 99 -13.901 -9.252 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.388 -9.985 -2.381 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.685 -8.911 -2.594 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.508 -7.479 -1.552 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.838 -7.468 -3.201 1.00 0.00 H new ATOM 1535 N LEU A 100 -12.233 -7.977 0.901 1.00 0.00 N ATOM 1536 CA LEU A 100 -12.295 -7.752 2.372 1.00 0.00 C ATOM 1537 C LEU A 100 -11.676 -6.393 2.695 1.00 0.00 C ATOM 1538 O LEU A 100 -12.327 -5.516 3.224 1.00 0.00 O ATOM 1539 CB LEU A 100 -11.515 -8.855 3.094 1.00 0.00 C ATOM 1540 CG LEU A 100 -12.313 -10.159 3.048 1.00 0.00 C ATOM 1541 CD1 LEU A 100 -11.352 -11.349 3.078 1.00 0.00 C ATOM 1542 CD2 LEU A 100 -13.244 -10.228 4.261 1.00 0.00 C ATOM 0 H LEU A 100 -11.647 -8.757 0.605 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.333 -7.772 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.542 -8.995 2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.330 -8.566 4.129 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.902 -10.191 2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.922 -12.278 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -10.686 -11.301 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.762 -11.317 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.814 -11.157 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.652 -10.195 5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.930 -9.381 4.242 1.00 0.00 H new ATOM 1554 N VAL A 101 -10.417 -6.218 2.389 1.00 0.00 N ATOM 1555 CA VAL A 101 -9.744 -4.921 2.683 1.00 0.00 C ATOM 1556 C VAL A 101 -10.696 -3.756 2.408 1.00 0.00 C ATOM 1557 O VAL A 101 -10.953 -2.936 3.267 1.00 0.00 O ATOM 1558 CB VAL A 101 -8.504 -4.782 1.797 1.00 0.00 C ATOM 1559 CG1 VAL A 101 -7.987 -3.343 1.856 1.00 0.00 C ATOM 1560 CG2 VAL A 101 -7.412 -5.735 2.289 1.00 0.00 C ATOM 0 H VAL A 101 -9.825 -6.921 1.947 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.454 -4.902 3.734 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.768 -5.030 0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.104 -3.247 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.762 -2.663 1.502 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.726 -3.092 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.530 -5.635 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.151 -5.489 3.318 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.777 -6.761 2.243 1.00 0.00 H new ATOM 1570 N LYS A 102 -11.221 -3.672 1.219 1.00 0.00 N ATOM 1571 CA LYS A 102 -12.151 -2.555 0.902 1.00 0.00 C ATOM 1572 C LYS A 102 -13.422 -2.686 1.745 1.00 0.00 C ATOM 1573 O LYS A 102 -13.934 -1.717 2.269 1.00 0.00 O ATOM 1574 CB LYS A 102 -12.516 -2.604 -0.584 1.00 0.00 C ATOM 1575 CG LYS A 102 -13.360 -1.381 -0.942 1.00 0.00 C ATOM 1576 CD LYS A 102 -13.895 -1.528 -2.367 1.00 0.00 C ATOM 1577 CE LYS A 102 -15.040 -0.539 -2.589 1.00 0.00 C ATOM 1578 NZ LYS A 102 -15.623 -0.749 -3.944 1.00 0.00 N ATOM 0 H LYS A 102 -11.047 -4.326 0.456 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.666 -1.605 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.611 -2.625 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -13.069 -3.517 -0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -14.188 -1.280 -0.240 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -12.760 -0.475 -0.860 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -13.097 -1.344 -3.087 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.244 -2.547 -2.532 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.807 -0.677 -1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.675 0.484 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -16.402 -0.076 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.889 -0.597 -4.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -15.986 -1.721 -4.019 1.00 0.00 H new ATOM 1592 N GLU A 103 -13.945 -3.876 1.855 1.00 0.00 N ATOM 1593 CA GLU A 103 -15.200 -4.092 2.638 1.00 0.00 C ATOM 1594 C GLU A 103 -15.245 -3.191 3.877 1.00 0.00 C ATOM 1595 O GLU A 103 -16.306 -2.765 4.290 1.00 0.00 O ATOM 1596 CB GLU A 103 -15.276 -5.554 3.080 1.00 0.00 C ATOM 1597 CG GLU A 103 -16.663 -5.840 3.659 1.00 0.00 C ATOM 1598 CD GLU A 103 -16.521 -6.399 5.076 1.00 0.00 C ATOM 1599 OE1 GLU A 103 -15.854 -7.409 5.229 1.00 0.00 O ATOM 1600 OE2 GLU A 103 -17.079 -5.806 5.984 1.00 0.00 O ATOM 0 H GLU A 103 -13.554 -4.718 1.432 1.00 0.00 H new ATOM 0 HA GLU A 103 -16.047 -3.843 1.999 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -15.081 -6.212 2.233 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -14.509 -5.760 3.827 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -17.257 -4.926 3.675 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -17.192 -6.553 3.027 1.00 0.00 H new ATOM 1607 N VAL A 104 -14.121 -2.910 4.485 1.00 0.00 N ATOM 1608 CA VAL A 104 -14.138 -2.052 5.711 1.00 0.00 C ATOM 1609 C VAL A 104 -13.159 -0.882 5.571 1.00 0.00 C ATOM 1610 O VAL A 104 -12.562 -0.454 6.538 1.00 0.00 O ATOM 1611 CB VAL A 104 -13.744 -2.895 6.924 1.00 0.00 C ATOM 1612 CG1 VAL A 104 -12.327 -3.434 6.731 1.00 0.00 C ATOM 1613 CG2 VAL A 104 -13.790 -2.027 8.183 1.00 0.00 C ATOM 0 H VAL A 104 -13.200 -3.233 4.190 1.00 0.00 H new ATOM 0 HA VAL A 104 -15.144 -1.652 5.841 1.00 0.00 H new ATOM 0 HB VAL A 104 -14.439 -3.728 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.045 -4.035 7.596 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.292 -4.051 5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.632 -2.601 6.627 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.509 -2.627 9.049 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.094 -1.195 8.077 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.800 -1.640 8.322 1.00 0.00 H new ATOM 1623 N VAL A 105 -13.003 -0.348 4.387 1.00 0.00 N ATOM 1624 CA VAL A 105 -12.074 0.809 4.208 1.00 0.00 C ATOM 1625 C VAL A 105 -12.885 2.041 3.794 1.00 0.00 C ATOM 1626 O VAL A 105 -13.555 2.048 2.781 1.00 0.00 O ATOM 1627 CB VAL A 105 -11.017 0.476 3.144 1.00 0.00 C ATOM 1628 CG1 VAL A 105 -11.508 0.873 1.748 1.00 0.00 C ATOM 1629 CG2 VAL A 105 -9.727 1.240 3.457 1.00 0.00 C ATOM 0 H VAL A 105 -13.476 -0.661 3.539 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.559 1.017 5.146 1.00 0.00 H new ATOM 0 HB VAL A 105 -10.834 -0.598 3.160 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.744 0.628 1.010 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.424 0.329 1.516 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.706 1.945 1.723 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -8.974 1.006 2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.928 2.311 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.360 0.947 4.440 1.00 0.00 H new ATOM 1639 N GLN A 106 -12.836 3.082 4.581 1.00 0.00 N ATOM 1640 CA GLN A 106 -13.605 4.312 4.244 1.00 0.00 C ATOM 1641 C GLN A 106 -12.695 5.533 4.381 1.00 0.00 C ATOM 1642 O GLN A 106 -12.889 6.540 3.728 1.00 0.00 O ATOM 1643 CB GLN A 106 -14.790 4.450 5.203 1.00 0.00 C ATOM 1644 CG GLN A 106 -14.649 3.436 6.339 1.00 0.00 C ATOM 1645 CD GLN A 106 -15.743 3.678 7.379 1.00 0.00 C ATOM 1646 OE1 GLN A 106 -16.472 4.647 7.297 1.00 0.00 O ATOM 1647 NE2 GLN A 106 -15.891 2.833 8.363 1.00 0.00 N ATOM 0 H GLN A 106 -12.295 3.133 5.444 1.00 0.00 H new ATOM 0 HA GLN A 106 -13.972 4.244 3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.828 5.462 5.607 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -15.725 4.285 4.668 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -14.724 2.422 5.947 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.666 3.527 6.802 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -15.280 2.019 8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -16.618 2.986 9.062 1.00 0.00 H new ATOM 1656 N ASN A 107 -11.705 5.454 5.227 1.00 0.00 N ATOM 1657 CA ASN A 107 -10.788 6.614 5.403 1.00 0.00 C ATOM 1658 C ASN A 107 -10.271 7.062 4.034 1.00 0.00 C ATOM 1659 O ASN A 107 -10.059 8.234 3.796 1.00 0.00 O ATOM 1660 CB ASN A 107 -9.611 6.206 6.293 1.00 0.00 C ATOM 1661 CG ASN A 107 -9.788 6.822 7.684 1.00 0.00 C ATOM 1662 OD1 ASN A 107 -8.737 7.052 8.424 1.00 0.00 O flip ATOM 1663 ND2 ASN A 107 -10.895 7.097 8.101 1.00 0.00 N flip ATOM 0 H ASN A 107 -11.492 4.639 5.802 1.00 0.00 H new ATOM 0 HA ASN A 107 -11.325 7.437 5.875 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.557 5.120 6.368 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.673 6.542 5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.717 6.918 7.524 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -11.003 7.507 9.029 1.00 0.00 H new ATOM 1670 N PHE A 108 -10.067 6.141 3.130 1.00 0.00 N ATOM 1671 CA PHE A 108 -9.565 6.526 1.780 1.00 0.00 C ATOM 1672 C PHE A 108 -10.658 7.272 1.015 1.00 0.00 C ATOM 1673 O PHE A 108 -11.727 7.531 1.531 1.00 0.00 O ATOM 1674 CB PHE A 108 -9.160 5.279 0.990 1.00 0.00 C ATOM 1675 CG PHE A 108 -10.382 4.674 0.336 1.00 0.00 C ATOM 1676 CD1 PHE A 108 -11.539 4.432 1.089 1.00 0.00 C ATOM 1677 CD2 PHE A 108 -10.358 4.358 -1.027 1.00 0.00 C ATOM 1678 CE1 PHE A 108 -12.670 3.877 0.475 1.00 0.00 C ATOM 1679 CE2 PHE A 108 -11.490 3.803 -1.638 1.00 0.00 C ATOM 1680 CZ PHE A 108 -12.644 3.563 -0.886 1.00 0.00 C ATOM 0 H PHE A 108 -10.226 5.143 3.268 1.00 0.00 H new ATOM 0 HA PHE A 108 -8.696 7.172 1.903 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.421 5.540 0.232 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.692 4.552 1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -11.559 4.673 2.142 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.466 4.542 -1.608 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -13.562 3.692 1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -11.471 3.560 -2.690 1.00 0.00 H new ATOM 0 HZ PHE A 108 -13.516 3.135 -1.358 1.00 0.00 H new ATOM 1690 N ALA A 109 -10.393 7.616 -0.219 1.00 0.00 N ATOM 1691 CA ALA A 109 -11.407 8.344 -1.034 1.00 0.00 C ATOM 1692 C ALA A 109 -11.659 7.573 -2.331 1.00 0.00 C ATOM 1693 O ALA A 109 -12.735 7.620 -2.894 1.00 0.00 O ATOM 1694 CB ALA A 109 -10.883 9.742 -1.367 1.00 0.00 C ATOM 0 H ALA A 109 -9.513 7.422 -0.698 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.337 8.429 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.623 10.276 -1.963 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -10.697 10.290 -0.444 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -9.955 9.658 -1.932 1.00 0.00 H new ATOM 1700 N LYS A 110 -10.674 6.864 -2.810 1.00 0.00 N ATOM 1701 CA LYS A 110 -10.854 6.090 -4.071 1.00 0.00 C ATOM 1702 C LYS A 110 -9.802 4.979 -4.139 1.00 0.00 C ATOM 1703 O LYS A 110 -8.661 5.170 -3.768 1.00 0.00 O ATOM 1704 CB LYS A 110 -10.687 7.026 -5.272 1.00 0.00 C ATOM 1705 CG LYS A 110 -11.415 6.445 -6.486 1.00 0.00 C ATOM 1706 CD LYS A 110 -12.763 7.151 -6.663 1.00 0.00 C ATOM 1707 CE LYS A 110 -12.535 8.618 -7.043 1.00 0.00 C ATOM 1708 NZ LYS A 110 -12.795 9.484 -5.858 1.00 0.00 N ATOM 0 H LYS A 110 -9.751 6.787 -2.382 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.851 5.650 -4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -11.086 8.012 -5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.629 7.156 -5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -10.807 6.571 -7.382 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -11.569 5.374 -6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -13.346 6.652 -7.437 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -13.340 7.090 -5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.512 8.760 -7.393 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -13.195 8.899 -7.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -13.648 10.055 -6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -12.937 8.888 -5.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -11.982 10.113 -5.703 1.00 0.00 H new ATOM 1722 N GLU A 111 -10.177 3.819 -4.610 1.00 0.00 N ATOM 1723 CA GLU A 111 -9.198 2.698 -4.701 1.00 0.00 C ATOM 1724 C GLU A 111 -8.786 2.510 -6.160 1.00 0.00 C ATOM 1725 O GLU A 111 -9.541 2.806 -7.066 1.00 0.00 O ATOM 1726 CB GLU A 111 -9.844 1.411 -4.182 1.00 0.00 C ATOM 1727 CG GLU A 111 -10.783 0.841 -5.247 1.00 0.00 C ATOM 1728 CD GLU A 111 -11.649 1.965 -5.819 1.00 0.00 C ATOM 1729 OE1 GLU A 111 -12.218 2.705 -5.035 1.00 0.00 O ATOM 1730 OE2 GLU A 111 -11.729 2.065 -7.033 1.00 0.00 O ATOM 0 H GLU A 111 -11.119 3.600 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.319 2.928 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.074 0.681 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.398 1.614 -3.266 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.205 0.372 -6.043 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.415 0.066 -4.813 1.00 0.00 H new ATOM 1737 N PHE A 112 -7.594 2.034 -6.399 1.00 0.00 N ATOM 1738 CA PHE A 112 -7.143 1.844 -7.807 1.00 0.00 C ATOM 1739 C PHE A 112 -6.444 0.493 -7.961 1.00 0.00 C ATOM 1740 O PHE A 112 -5.944 -0.074 -7.010 1.00 0.00 O ATOM 1741 CB PHE A 112 -6.176 2.968 -8.178 1.00 0.00 C ATOM 1742 CG PHE A 112 -6.968 4.183 -8.593 1.00 0.00 C ATOM 1743 CD1 PHE A 112 -7.545 4.239 -9.867 1.00 0.00 C ATOM 1744 CD2 PHE A 112 -7.132 5.250 -7.703 1.00 0.00 C ATOM 1745 CE1 PHE A 112 -8.286 5.362 -10.251 1.00 0.00 C ATOM 1746 CE2 PHE A 112 -7.875 6.374 -8.085 1.00 0.00 C ATOM 1747 CZ PHE A 112 -8.452 6.430 -9.359 1.00 0.00 C ATOM 0 H PHE A 112 -6.916 1.770 -5.684 1.00 0.00 H new ATOM 0 HA PHE A 112 -8.009 1.867 -8.468 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.535 3.208 -7.329 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.523 2.649 -8.990 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.418 3.415 -10.554 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -6.685 5.207 -6.721 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -8.730 5.406 -11.235 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -8.003 7.197 -7.397 1.00 0.00 H new ATOM 0 HZ PHE A 112 -9.025 7.296 -9.655 1.00 0.00 H new ATOM 1757 N VAL A 113 -6.405 -0.021 -9.161 1.00 0.00 N ATOM 1758 CA VAL A 113 -5.737 -1.331 -9.403 1.00 0.00 C ATOM 1759 C VAL A 113 -4.575 -1.122 -10.373 1.00 0.00 C ATOM 1760 O VAL A 113 -4.768 -0.944 -11.560 1.00 0.00 O ATOM 1761 CB VAL A 113 -6.741 -2.313 -10.011 1.00 0.00 C ATOM 1762 CG1 VAL A 113 -7.028 -3.436 -9.014 1.00 0.00 C ATOM 1763 CG2 VAL A 113 -8.042 -1.574 -10.335 1.00 0.00 C ATOM 0 H VAL A 113 -6.810 0.414 -9.990 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.365 -1.736 -8.462 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.325 -2.738 -10.924 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -7.743 -4.134 -9.449 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.102 -3.962 -8.782 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -7.444 -3.013 -8.099 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.759 -2.272 -10.768 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.456 -1.149 -9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -7.838 -0.774 -11.047 1.00 0.00 H new ATOM 1773 N ILE A 114 -3.369 -1.129 -9.879 1.00 0.00 N ATOM 1774 CA ILE A 114 -2.196 -0.917 -10.770 1.00 0.00 C ATOM 1775 C ILE A 114 -1.583 -2.267 -11.151 1.00 0.00 C ATOM 1776 O ILE A 114 -1.658 -3.227 -10.411 1.00 0.00 O ATOM 1777 CB ILE A 114 -1.157 -0.068 -10.039 1.00 0.00 C ATOM 1778 CG1 ILE A 114 -1.813 1.226 -9.541 1.00 0.00 C ATOM 1779 CG2 ILE A 114 -0.012 0.275 -10.992 1.00 0.00 C ATOM 1780 CD1 ILE A 114 -2.495 1.950 -10.704 1.00 0.00 C ATOM 0 H ILE A 114 -3.145 -1.273 -8.894 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.516 -0.404 -11.677 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.765 -0.628 -9.190 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.544 0.997 -8.766 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -1.062 1.874 -9.089 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.728 0.881 -10.469 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.455 -0.644 -11.345 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -0.402 0.834 -11.843 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.958 2.867 -10.340 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.754 2.194 -11.465 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.260 1.305 -11.136 1.00 0.00 H new ATOM 1792 N SER A 115 -0.969 -2.342 -12.301 1.00 0.00 N ATOM 1793 CA SER A 115 -0.340 -3.620 -12.737 1.00 0.00 C ATOM 1794 C SER A 115 0.992 -3.317 -13.429 1.00 0.00 C ATOM 1795 O SER A 115 1.638 -4.197 -13.960 1.00 0.00 O ATOM 1796 CB SER A 115 -1.271 -4.341 -13.712 1.00 0.00 C ATOM 1797 OG SER A 115 -2.571 -3.772 -13.627 1.00 0.00 O ATOM 0 H SER A 115 -0.876 -1.569 -12.960 1.00 0.00 H new ATOM 0 HA SER A 115 -0.164 -4.256 -11.869 1.00 0.00 H new ATOM 0 HB2 SER A 115 -0.889 -4.254 -14.729 1.00 0.00 H new ATOM 0 HB3 SER A 115 -1.311 -5.404 -13.476 1.00 0.00 H new ATOM 0 HG SER A 115 -3.170 -4.231 -14.252 1.00 0.00 H new ATOM 1803 N ASP A 116 1.405 -2.077 -13.429 1.00 0.00 N ATOM 1804 CA ASP A 116 2.695 -1.721 -14.090 1.00 0.00 C ATOM 1805 C ASP A 116 3.495 -0.782 -13.182 1.00 0.00 C ATOM 1806 O ASP A 116 2.944 -0.079 -12.359 1.00 0.00 O ATOM 1807 CB ASP A 116 2.411 -1.022 -15.421 1.00 0.00 C ATOM 1808 CG ASP A 116 3.419 -1.493 -16.470 1.00 0.00 C ATOM 1809 OD1 ASP A 116 4.606 -1.359 -16.224 1.00 0.00 O ATOM 1810 OD2 ASP A 116 2.988 -1.978 -17.503 1.00 0.00 O ATOM 0 H ASP A 116 0.906 -1.297 -13.001 1.00 0.00 H new ATOM 0 HA ASP A 116 3.271 -2.629 -14.271 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.396 -1.244 -15.751 1.00 0.00 H new ATOM 0 HB3 ASP A 116 2.477 0.059 -15.298 1.00 0.00 H new ATOM 1815 N ARG A 117 4.793 -0.770 -13.325 1.00 0.00 N ATOM 1816 CA ARG A 117 5.631 0.117 -12.469 1.00 0.00 C ATOM 1817 C ARG A 117 5.397 1.579 -12.855 1.00 0.00 C ATOM 1818 O ARG A 117 5.285 2.444 -12.009 1.00 0.00 O ATOM 1819 CB ARG A 117 7.107 -0.233 -12.666 1.00 0.00 C ATOM 1820 CG ARG A 117 7.769 -0.439 -11.303 1.00 0.00 C ATOM 1821 CD ARG A 117 9.290 -0.453 -11.471 1.00 0.00 C ATOM 1822 NE ARG A 117 9.733 0.828 -12.090 1.00 0.00 N ATOM 1823 CZ ARG A 117 10.992 1.167 -12.058 1.00 0.00 C ATOM 1824 NH1 ARG A 117 11.865 0.385 -11.483 1.00 0.00 N ATOM 1825 NH2 ARG A 117 11.380 2.289 -12.601 1.00 0.00 N ATOM 0 H ARG A 117 5.309 -1.337 -13.998 1.00 0.00 H new ATOM 0 HA ARG A 117 5.358 -0.027 -11.424 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.200 -1.137 -13.268 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.611 0.565 -13.210 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.475 0.358 -10.620 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.433 -1.377 -10.862 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.772 -0.587 -10.503 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.590 -1.294 -12.096 1.00 0.00 H new ATOM 0 HE ARG A 117 9.051 1.440 -12.539 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.563 -0.492 -11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.849 0.651 -11.458 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.698 2.901 -13.050 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.365 2.554 -12.576 1.00 0.00 H new ATOM 1839 N LYS A 118 5.326 1.865 -14.127 1.00 0.00 N ATOM 1840 CA LYS A 118 5.102 3.273 -14.561 1.00 0.00 C ATOM 1841 C LYS A 118 3.637 3.644 -14.335 1.00 0.00 C ATOM 1842 O LYS A 118 3.231 4.770 -14.547 1.00 0.00 O ATOM 1843 CB LYS A 118 5.440 3.409 -16.047 1.00 0.00 C ATOM 1844 CG LYS A 118 6.659 4.317 -16.213 1.00 0.00 C ATOM 1845 CD LYS A 118 6.941 4.528 -17.702 1.00 0.00 C ATOM 1846 CE LYS A 118 8.338 4.001 -18.037 1.00 0.00 C ATOM 1847 NZ LYS A 118 8.539 4.030 -19.513 1.00 0.00 N ATOM 0 H LYS A 118 5.413 1.186 -14.883 1.00 0.00 H new ATOM 0 HA LYS A 118 5.741 3.940 -13.982 1.00 0.00 H new ATOM 0 HB2 LYS A 118 5.643 2.428 -16.476 1.00 0.00 H new ATOM 0 HB3 LYS A 118 4.589 3.823 -16.588 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.480 5.276 -15.727 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.527 3.870 -15.728 1.00 0.00 H new ATOM 0 HD2 LYS A 118 6.192 4.011 -18.302 1.00 0.00 H new ATOM 0 HD3 LYS A 118 6.871 5.587 -17.950 1.00 0.00 H new ATOM 0 HE2 LYS A 118 9.096 4.610 -17.544 1.00 0.00 H new ATOM 0 HE3 LYS A 118 8.454 2.984 -17.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 9.488 3.672 -19.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 7.823 3.431 -19.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 8.446 5.007 -19.857 1.00 0.00 H new ATOM 1861 N GLU A 119 2.838 2.706 -13.908 1.00 0.00 N ATOM 1862 CA GLU A 119 1.400 3.004 -13.671 1.00 0.00 C ATOM 1863 C GLU A 119 1.216 3.557 -12.254 1.00 0.00 C ATOM 1864 O GLU A 119 0.118 3.864 -11.837 1.00 0.00 O ATOM 1865 CB GLU A 119 0.584 1.720 -13.834 1.00 0.00 C ATOM 1866 CG GLU A 119 0.246 1.514 -15.311 1.00 0.00 C ATOM 1867 CD GLU A 119 -0.916 2.429 -15.702 1.00 0.00 C ATOM 1868 OE1 GLU A 119 -2.050 2.040 -15.477 1.00 0.00 O ATOM 1869 OE2 GLU A 119 -0.652 3.501 -16.220 1.00 0.00 O ATOM 0 H GLU A 119 3.120 1.745 -13.713 1.00 0.00 H new ATOM 0 HA GLU A 119 1.057 3.746 -14.392 1.00 0.00 H new ATOM 0 HB2 GLU A 119 1.149 0.867 -13.457 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.332 1.781 -13.246 1.00 0.00 H new ATOM 0 HG2 GLU A 119 1.118 1.732 -15.928 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.021 0.473 -15.492 1.00 0.00 H new ATOM 1876 N LEU A 120 2.284 3.688 -11.513 1.00 0.00 N ATOM 1877 CA LEU A 120 2.174 4.224 -10.127 1.00 0.00 C ATOM 1878 C LEU A 120 2.682 5.665 -10.108 1.00 0.00 C ATOM 1879 O LEU A 120 2.944 6.231 -9.065 1.00 0.00 O ATOM 1880 CB LEU A 120 3.020 3.371 -9.176 1.00 0.00 C ATOM 1881 CG LEU A 120 2.589 1.905 -9.280 1.00 0.00 C ATOM 1882 CD1 LEU A 120 3.797 0.994 -9.047 1.00 0.00 C ATOM 1883 CD2 LEU A 120 1.523 1.614 -8.222 1.00 0.00 C ATOM 0 H LEU A 120 3.230 3.446 -11.809 1.00 0.00 H new ATOM 0 HA LEU A 120 1.133 4.195 -9.804 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.076 3.469 -9.426 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.901 3.724 -8.152 1.00 0.00 H new ATOM 0 HG LEU A 120 2.182 1.718 -10.274 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.487 -0.048 -9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.559 1.200 -9.799 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.207 1.180 -8.054 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.214 0.571 -8.294 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.933 1.804 -7.230 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.661 2.260 -8.387 1.00 0.00 H new ATOM 1895 N GLU A 121 2.826 6.258 -11.259 1.00 0.00 N ATOM 1896 CA GLU A 121 3.318 7.658 -11.325 1.00 0.00 C ATOM 1897 C GLU A 121 2.260 8.603 -10.754 1.00 0.00 C ATOM 1898 O GLU A 121 1.078 8.434 -10.972 1.00 0.00 O ATOM 1899 CB GLU A 121 3.593 8.019 -12.782 1.00 0.00 C ATOM 1900 CG GLU A 121 4.591 7.025 -13.381 1.00 0.00 C ATOM 1901 CD GLU A 121 5.992 7.639 -13.373 1.00 0.00 C ATOM 1902 OE1 GLU A 121 6.330 8.281 -12.392 1.00 0.00 O ATOM 1903 OE2 GLU A 121 6.702 7.456 -14.347 1.00 0.00 O ATOM 0 H GLU A 121 2.622 5.829 -12.162 1.00 0.00 H new ATOM 0 HA GLU A 121 4.234 7.754 -10.742 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.664 8.004 -13.352 1.00 0.00 H new ATOM 0 HB3 GLU A 121 3.991 9.032 -12.847 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.586 6.098 -12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 121 4.300 6.771 -14.400 1.00 0.00 H new ATOM 1910 N GLU A 122 2.677 9.599 -10.020 1.00 0.00 N ATOM 1911 CA GLU A 122 1.696 10.553 -9.432 1.00 0.00 C ATOM 1912 C GLU A 122 0.788 11.110 -10.532 1.00 0.00 C ATOM 1913 O GLU A 122 -0.422 11.064 -10.431 1.00 0.00 O ATOM 1914 CB GLU A 122 2.447 11.706 -8.761 1.00 0.00 C ATOM 1915 CG GLU A 122 3.818 11.876 -9.421 1.00 0.00 C ATOM 1916 CD GLU A 122 4.375 13.262 -9.090 1.00 0.00 C ATOM 1917 OE1 GLU A 122 4.703 13.487 -7.937 1.00 0.00 O ATOM 1918 OE2 GLU A 122 4.464 14.075 -9.995 1.00 0.00 O ATOM 0 H GLU A 122 3.655 9.793 -9.803 1.00 0.00 H new ATOM 0 HA GLU A 122 1.087 10.032 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.873 12.628 -8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 122 2.567 11.505 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.502 11.104 -9.068 1.00 0.00 H new ATOM 0 HG3 GLU A 122 3.731 11.756 -10.501 1.00 0.00 H new ATOM 1925 N ASP A 123 1.359 11.643 -11.578 1.00 0.00 N ATOM 1926 CA ASP A 123 0.523 12.211 -12.676 1.00 0.00 C ATOM 1927 C ASP A 123 -0.450 11.147 -13.186 1.00 0.00 C ATOM 1928 O ASP A 123 -1.592 11.429 -13.492 1.00 0.00 O ATOM 1929 CB ASP A 123 1.430 12.662 -13.823 1.00 0.00 C ATOM 1930 CG ASP A 123 2.893 12.430 -13.440 1.00 0.00 C ATOM 1931 OD1 ASP A 123 3.465 13.304 -12.810 1.00 0.00 O ATOM 1932 OD2 ASP A 123 3.415 11.382 -13.784 1.00 0.00 O ATOM 0 H ASP A 123 2.367 11.710 -11.720 1.00 0.00 H new ATOM 0 HA ASP A 123 -0.041 13.064 -12.297 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.189 12.108 -14.730 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.263 13.717 -14.039 1.00 0.00 H new ATOM 1937 N PHE A 124 -0.006 9.926 -13.274 1.00 0.00 N ATOM 1938 CA PHE A 124 -0.906 8.843 -13.759 1.00 0.00 C ATOM 1939 C PHE A 124 -2.063 8.690 -12.787 1.00 0.00 C ATOM 1940 O PHE A 124 -3.218 8.628 -13.164 1.00 0.00 O ATOM 1941 CB PHE A 124 -0.143 7.525 -13.803 1.00 0.00 C ATOM 1942 CG PHE A 124 -1.114 6.409 -14.102 1.00 0.00 C ATOM 1943 CD1 PHE A 124 -1.584 6.215 -15.406 1.00 0.00 C ATOM 1944 CD2 PHE A 124 -1.558 5.579 -13.067 1.00 0.00 C ATOM 1945 CE1 PHE A 124 -2.496 5.187 -15.673 1.00 0.00 C ATOM 1946 CE2 PHE A 124 -2.470 4.554 -13.335 1.00 0.00 C ATOM 1947 CZ PHE A 124 -2.939 4.357 -14.636 1.00 0.00 C ATOM 0 H PHE A 124 0.940 9.630 -13.032 1.00 0.00 H new ATOM 0 HA PHE A 124 -1.271 9.097 -14.754 1.00 0.00 H new ATOM 0 HB2 PHE A 124 0.633 7.564 -14.567 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.356 7.346 -12.850 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -1.244 6.857 -16.205 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -1.196 5.730 -12.061 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -2.858 5.034 -16.679 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -2.812 3.914 -12.535 1.00 0.00 H new ATOM 0 HZ PHE A 124 -3.643 3.565 -14.842 1.00 0.00 H new ATOM 1957 N ILE A 125 -1.748 8.630 -11.534 1.00 0.00 N ATOM 1958 CA ILE A 125 -2.807 8.479 -10.502 1.00 0.00 C ATOM 1959 C ILE A 125 -3.535 9.814 -10.347 1.00 0.00 C ATOM 1960 O ILE A 125 -4.668 9.868 -9.914 1.00 0.00 O ATOM 1961 CB ILE A 125 -2.183 8.082 -9.155 1.00 0.00 C ATOM 1962 CG1 ILE A 125 -1.098 7.007 -9.351 1.00 0.00 C ATOM 1963 CG2 ILE A 125 -3.276 7.537 -8.232 1.00 0.00 C ATOM 1964 CD1 ILE A 125 -1.709 5.615 -9.181 1.00 0.00 C ATOM 0 H ILE A 125 -0.796 8.679 -11.172 1.00 0.00 H new ATOM 0 HA ILE A 125 -3.505 7.700 -10.810 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.722 8.964 -8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.655 7.101 -10.343 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.295 7.152 -8.628 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.837 7.254 -7.275 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -4.033 8.305 -8.071 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -3.738 6.663 -8.691 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -0.936 4.859 -9.321 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.130 5.522 -8.180 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.496 5.470 -9.921 1.00 0.00 H new ATOM 1976 N ARG A 126 -2.891 10.893 -10.700 1.00 0.00 N ATOM 1977 CA ARG A 126 -3.543 12.227 -10.578 1.00 0.00 C ATOM 1978 C ARG A 126 -4.728 12.306 -11.541 1.00 0.00 C ATOM 1979 O ARG A 126 -5.845 12.574 -11.145 1.00 0.00 O ATOM 1980 CB ARG A 126 -2.531 13.322 -10.922 1.00 0.00 C ATOM 1981 CG ARG A 126 -3.024 14.663 -10.378 1.00 0.00 C ATOM 1982 CD ARG A 126 -2.122 15.786 -10.894 1.00 0.00 C ATOM 1983 NE ARG A 126 -0.715 15.301 -10.964 1.00 0.00 N ATOM 1984 CZ ARG A 126 0.174 15.970 -11.646 1.00 0.00 C ATOM 1985 NH1 ARG A 126 -0.171 17.066 -12.267 1.00 0.00 N ATOM 1986 NH2 ARG A 126 1.406 15.545 -11.708 1.00 0.00 N ATOM 0 H ARG A 126 -1.940 10.908 -11.068 1.00 0.00 H new ATOM 0 HA ARG A 126 -3.896 12.367 -9.556 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.558 13.080 -10.494 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -2.398 13.383 -12.002 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -4.054 14.837 -10.689 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -3.019 14.650 -9.288 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.455 16.111 -11.880 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -2.187 16.651 -10.234 1.00 0.00 H new ATOM 0 HE ARG A 126 -0.446 14.445 -10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.134 17.398 -12.219 1.00 0.00 H new ATOM 0 HH12 ARG A 126 0.523 17.590 -12.800 1.00 0.00 H new ATOM 0 HH21 ARG A 126 1.675 14.689 -11.223 1.00 0.00 H new ATOM 0 HH22 ARG A 126 2.100 16.069 -12.241 1.00 0.00 H new ATOM 2000 N SER A 127 -4.497 12.070 -12.805 1.00 0.00 N ATOM 2001 CA SER A 127 -5.614 12.129 -13.788 1.00 0.00 C ATOM 2002 C SER A 127 -6.665 11.083 -13.419 1.00 0.00 C ATOM 2003 O SER A 127 -7.822 11.196 -13.773 1.00 0.00 O ATOM 2004 CB SER A 127 -5.076 11.840 -15.190 1.00 0.00 C ATOM 2005 OG SER A 127 -5.103 13.036 -15.959 1.00 0.00 O ATOM 0 H SER A 127 -3.584 11.839 -13.197 1.00 0.00 H new ATOM 0 HA SER A 127 -6.064 13.122 -13.771 1.00 0.00 H new ATOM 0 HB2 SER A 127 -4.058 11.456 -15.129 1.00 0.00 H new ATOM 0 HB3 SER A 127 -5.679 11.070 -15.672 1.00 0.00 H new ATOM 0 HG SER A 127 -4.757 12.855 -16.858 1.00 0.00 H new ATOM 2011 N GLU A 128 -6.270 10.068 -12.702 1.00 0.00 N ATOM 2012 CA GLU A 128 -7.243 9.014 -12.301 1.00 0.00 C ATOM 2013 C GLU A 128 -7.961 9.447 -11.023 1.00 0.00 C ATOM 2014 O GLU A 128 -9.149 9.246 -10.869 1.00 0.00 O ATOM 2015 CB GLU A 128 -6.500 7.699 -12.061 1.00 0.00 C ATOM 2016 CG GLU A 128 -6.782 6.733 -13.213 1.00 0.00 C ATOM 2017 CD GLU A 128 -6.475 7.422 -14.544 1.00 0.00 C ATOM 2018 OE1 GLU A 128 -5.327 7.384 -14.957 1.00 0.00 O ATOM 2019 OE2 GLU A 128 -7.392 7.975 -15.128 1.00 0.00 O ATOM 0 H GLU A 128 -5.314 9.923 -12.376 1.00 0.00 H new ATOM 0 HA GLU A 128 -7.977 8.870 -13.094 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -5.429 7.884 -11.982 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -6.818 7.257 -11.117 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -6.172 5.836 -13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -7.824 6.415 -13.188 1.00 0.00 H new ATOM 2026 N LEU A 129 -7.250 10.045 -10.105 1.00 0.00 N ATOM 2027 CA LEU A 129 -7.900 10.492 -8.842 1.00 0.00 C ATOM 2028 C LEU A 129 -8.829 11.664 -9.151 1.00 0.00 C ATOM 2029 O LEU A 129 -9.778 11.919 -8.437 1.00 0.00 O ATOM 2030 CB LEU A 129 -6.831 10.939 -7.842 1.00 0.00 C ATOM 2031 CG LEU A 129 -6.735 9.920 -6.706 1.00 0.00 C ATOM 2032 CD1 LEU A 129 -5.589 10.308 -5.769 1.00 0.00 C ATOM 2033 CD2 LEU A 129 -8.050 9.903 -5.920 1.00 0.00 C ATOM 0 H LEU A 129 -6.252 10.242 -10.175 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.471 9.669 -8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -5.867 11.033 -8.342 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.080 11.922 -7.443 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.547 8.930 -7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.520 9.582 -4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.652 10.321 -6.326 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -5.778 11.298 -5.354 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -7.981 9.176 -5.110 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.238 10.893 -5.504 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.868 9.628 -6.586 1.00 0.00 H new ATOM 2045 N LYS A 130 -8.574 12.371 -10.216 1.00 0.00 N ATOM 2046 CA LYS A 130 -9.457 13.515 -10.567 1.00 0.00 C ATOM 2047 C LYS A 130 -10.909 13.043 -10.525 1.00 0.00 C ATOM 2048 O LYS A 130 -11.801 13.772 -10.138 1.00 0.00 O ATOM 2049 CB LYS A 130 -9.120 14.011 -11.975 1.00 0.00 C ATOM 2050 CG LYS A 130 -8.654 15.469 -11.908 1.00 0.00 C ATOM 2051 CD LYS A 130 -7.294 15.546 -11.210 1.00 0.00 C ATOM 2052 CE LYS A 130 -6.559 16.809 -11.666 1.00 0.00 C ATOM 2053 NZ LYS A 130 -6.364 16.765 -13.143 1.00 0.00 N ATOM 0 H LYS A 130 -7.796 12.207 -10.855 1.00 0.00 H new ATOM 0 HA LYS A 130 -9.309 14.330 -9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -8.340 13.389 -12.414 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -9.995 13.927 -12.620 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -8.581 15.884 -12.913 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -9.385 16.070 -11.367 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -7.428 15.561 -10.128 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -6.701 14.662 -11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -7.131 17.695 -11.390 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -5.595 16.883 -11.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -5.496 17.279 -13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -6.282 15.776 -13.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -7.178 17.209 -13.614 1.00 0.00 H new