USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 631 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 36 ASN : amide:sc= -1.39 K(o=-3.3,f=-5.1!) USER MOD Set 1.2: A 53 HIS : no HE2:sc= -1.93 K(o=-3.3,f=-1.2) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0.131 USER MOD Set 2.2: A 19 GLN : amide:sc= 0.131 X(o=0.26,f=0.13) USER MOD Set 3.1: A 8 TYR OH : rot 160:sc= 0.0302 USER MOD Set 3.2: A 44 ASN : amide:sc= -0.36 X(o=-0.91,f=-0.66) USER MOD Set 3.3: A 82 HIS : no HD1:sc= -0.581 K(o=-0.91,f=-0.4) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0936 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= 0.806 K(o=0.81,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 68:sc= 0.0429 USER MOD Single : A 21 HIS : no HE2:sc= 0.983 K(o=0.98,f=-4.1!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 159:sc= -0.0303 (180deg=-0.429) USER MOD Single : A 30 TYR OH : rot 106:sc= 1.24 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.594 K(o=-0.59,f=-1.5!) USER MOD Single : A 52 SER OG : rot -42:sc=-0.00714 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 153:sc= -8.2! (180deg=-13.4!) USER MOD Single : A 60 ASN : amide:sc= 1.32 K(o=1.3,f=-2.5!) USER MOD Single : A 61 TYR OH : rot -119:sc= 0.164 USER MOD Single : A 65 THR OG1 : rot -150:sc= 0.472 USER MOD Single : A 67 THR OG1 : rot -39:sc= 0.0759 USER MOD Single : A 70 LYS NZ :NH3+ -173:sc=-0.00707 (180deg=-0.0663) USER MOD Single : A 73 LYS NZ :NH3+ -177:sc= -0.197 (180deg=-0.198) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot -61:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.185 -19.475 -13.280 1.00 0.00 N ATOM 2 CA GLY A 1 -9.755 -18.244 -12.607 1.00 0.00 C ATOM 3 C GLY A 1 -10.182 -18.242 -11.152 1.00 0.00 C ATOM 4 O GLY A 1 -10.457 -19.306 -10.589 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.379 -19.894 -13.785 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.540 -20.151 -12.574 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.942 -19.254 -13.958 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.671 -18.150 -12.672 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.181 -17.379 -13.116 1.00 0.00 H new ATOM 8 N ALA A 2 -10.254 -17.056 -10.537 1.00 0.00 N ATOM 9 CA ALA A 2 -10.067 -16.864 -9.096 1.00 0.00 C ATOM 10 C ALA A 2 -8.704 -17.429 -8.670 1.00 0.00 C ATOM 11 O ALA A 2 -7.824 -17.584 -9.515 1.00 0.00 O ATOM 12 CB ALA A 2 -11.245 -17.413 -8.276 1.00 0.00 C ATOM 0 H ALA A 2 -10.447 -16.188 -11.036 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.059 -15.795 -8.881 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.059 -17.247 -7.215 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.162 -16.901 -8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.351 -18.482 -8.463 1.00 0.00 H new ATOM 18 N ALA A 3 -8.504 -17.660 -7.367 1.00 0.00 N ATOM 19 CA ALA A 3 -7.303 -18.224 -6.741 1.00 0.00 C ATOM 20 C ALA A 3 -5.991 -17.455 -6.974 1.00 0.00 C ATOM 21 O ALA A 3 -4.947 -17.843 -6.443 1.00 0.00 O ATOM 22 CB ALA A 3 -7.169 -19.703 -7.113 1.00 0.00 C ATOM 0 H ALA A 3 -9.224 -17.444 -6.677 1.00 0.00 H new ATOM 0 HA ALA A 3 -7.462 -18.117 -5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -6.275 -20.116 -6.645 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -8.046 -20.247 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -7.090 -19.800 -8.196 1.00 0.00 H new ATOM 28 N GLY A 4 -6.030 -16.347 -7.706 1.00 0.00 N ATOM 29 CA GLY A 4 -4.995 -15.338 -7.771 1.00 0.00 C ATOM 30 C GLY A 4 -5.349 -14.229 -6.795 1.00 0.00 C ATOM 31 O GLY A 4 -6.117 -14.431 -5.854 1.00 0.00 O ATOM 0 H GLY A 4 -6.829 -16.123 -8.299 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.027 -15.770 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.914 -14.942 -8.783 1.00 0.00 H new ATOM 35 N ILE A 5 -4.762 -13.058 -6.991 1.00 0.00 N ATOM 36 CA ILE A 5 -4.738 -11.993 -6.000 1.00 0.00 C ATOM 37 C ILE A 5 -6.119 -11.442 -5.623 1.00 0.00 C ATOM 38 O ILE A 5 -6.268 -10.837 -4.565 1.00 0.00 O ATOM 39 CB ILE A 5 -3.813 -10.867 -6.511 1.00 0.00 C ATOM 40 CG1 ILE A 5 -4.383 -10.170 -7.771 1.00 0.00 C ATOM 41 CG2 ILE A 5 -2.391 -11.413 -6.762 1.00 0.00 C ATOM 42 CD1 ILE A 5 -3.553 -8.967 -8.211 1.00 0.00 C ATOM 0 H ILE A 5 -4.281 -12.817 -7.858 1.00 0.00 H new ATOM 0 HA ILE A 5 -4.354 -12.423 -5.075 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.758 -10.105 -5.734 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.431 -10.890 -8.588 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.404 -9.847 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.750 -10.608 -7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.985 -11.812 -5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.432 -12.205 -7.509 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.002 -8.520 -9.098 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.526 -8.230 -7.408 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.538 -9.290 -8.441 1.00 0.00 H new ATOM 54 N ASP A 6 -7.121 -11.652 -6.474 1.00 0.00 N ATOM 55 CA ASP A 6 -8.481 -11.134 -6.340 1.00 0.00 C ATOM 56 C ASP A 6 -9.153 -11.540 -5.027 1.00 0.00 C ATOM 57 O ASP A 6 -10.024 -10.825 -4.543 1.00 0.00 O ATOM 58 CB ASP A 6 -9.259 -11.699 -7.518 1.00 0.00 C ATOM 59 CG ASP A 6 -10.747 -11.368 -7.549 1.00 0.00 C ATOM 60 OD1 ASP A 6 -11.126 -10.184 -7.694 1.00 0.00 O ATOM 61 OD2 ASP A 6 -11.558 -12.315 -7.641 1.00 0.00 O ATOM 0 H ASP A 6 -7.001 -12.215 -7.316 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.459 -10.044 -6.331 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.805 -11.332 -8.439 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.147 -12.783 -7.517 1.00 0.00 H new ATOM 66 N GLN A 7 -8.741 -12.658 -4.429 1.00 0.00 N ATOM 67 CA GLN A 7 -9.247 -13.112 -3.137 1.00 0.00 C ATOM 68 C GLN A 7 -8.875 -12.176 -1.979 1.00 0.00 C ATOM 69 O GLN A 7 -9.582 -12.141 -0.970 1.00 0.00 O ATOM 70 CB GLN A 7 -8.718 -14.527 -2.879 1.00 0.00 C ATOM 71 CG GLN A 7 -7.198 -14.566 -2.652 1.00 0.00 C ATOM 72 CD GLN A 7 -6.687 -15.992 -2.708 1.00 0.00 C ATOM 73 OE1 GLN A 7 -7.032 -16.821 -1.867 1.00 0.00 O ATOM 74 NE2 GLN A 7 -5.946 -16.322 -3.748 1.00 0.00 N ATOM 0 H GLN A 7 -8.040 -13.279 -4.833 1.00 0.00 H new ATOM 0 HA GLN A 7 -10.336 -13.109 -3.181 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -9.221 -14.944 -2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.970 -15.164 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -6.696 -13.964 -3.410 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -6.958 -14.126 -1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -5.676 -15.611 -4.428 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -5.643 -17.288 -3.872 1.00 0.00 H new ATOM 83 N TYR A 8 -7.763 -11.446 -2.104 1.00 0.00 N ATOM 84 CA TYR A 8 -7.251 -10.546 -1.078 1.00 0.00 C ATOM 85 C TYR A 8 -7.798 -9.124 -1.287 1.00 0.00 C ATOM 86 O TYR A 8 -7.376 -8.214 -0.576 1.00 0.00 O ATOM 87 CB TYR A 8 -5.707 -10.557 -1.106 1.00 0.00 C ATOM 88 CG TYR A 8 -5.057 -11.922 -0.982 1.00 0.00 C ATOM 89 CD1 TYR A 8 -5.023 -12.583 0.256 1.00 0.00 C ATOM 90 CD2 TYR A 8 -4.507 -12.545 -2.116 1.00 0.00 C ATOM 91 CE1 TYR A 8 -4.496 -13.881 0.362 1.00 0.00 C ATOM 92 CE2 TYR A 8 -3.966 -13.839 -2.019 1.00 0.00 C ATOM 93 CZ TYR A 8 -3.959 -14.515 -0.778 1.00 0.00 C ATOM 94 OH TYR A 8 -3.452 -15.774 -0.692 1.00 0.00 O ATOM 0 H TYR A 8 -7.183 -11.468 -2.943 1.00 0.00 H new ATOM 0 HA TYR A 8 -7.585 -10.889 -0.099 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -5.376 -10.100 -2.039 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -5.343 -9.926 -0.295 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -5.406 -12.088 1.136 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.500 -12.028 -3.064 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -4.502 -14.392 1.313 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -3.555 -14.318 -2.895 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.423 -16.177 -1.585 1.00 0.00 H new ATOM 104 N ALA A 9 -8.634 -8.890 -2.313 1.00 0.00 N ATOM 105 CA ALA A 9 -9.028 -7.566 -2.782 1.00 0.00 C ATOM 106 C ALA A 9 -10.031 -6.904 -1.829 1.00 0.00 C ATOM 107 O ALA A 9 -11.247 -7.052 -1.992 1.00 0.00 O ATOM 108 CB ALA A 9 -9.587 -7.678 -4.209 1.00 0.00 C ATOM 0 H ALA A 9 -9.063 -9.644 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.149 -6.921 -2.799 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.882 -6.690 -4.563 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.821 -8.086 -4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.455 -8.338 -4.209 1.00 0.00 H new ATOM 114 N LEU A 10 -9.529 -6.145 -0.857 1.00 0.00 N ATOM 115 CA LEU A 10 -10.332 -5.436 0.133 1.00 0.00 C ATOM 116 C LEU A 10 -10.844 -4.147 -0.500 1.00 0.00 C ATOM 117 O LEU A 10 -10.038 -3.369 -1.015 1.00 0.00 O ATOM 118 CB LEU A 10 -9.491 -5.085 1.376 1.00 0.00 C ATOM 119 CG LEU A 10 -8.908 -6.275 2.158 1.00 0.00 C ATOM 120 CD1 LEU A 10 -8.017 -5.760 3.293 1.00 0.00 C ATOM 121 CD2 LEU A 10 -10.010 -7.152 2.751 1.00 0.00 C ATOM 0 H LEU A 10 -8.526 -6.003 -0.734 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.159 -6.074 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.667 -4.444 1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.111 -4.499 2.055 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.325 -6.877 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.606 -6.605 3.845 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.202 -5.168 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.608 -5.140 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -9.561 -7.982 3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -10.620 -6.559 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -10.636 -7.542 1.948 1.00 0.00 H new ATOM 133 N LYS A 11 -12.145 -3.860 -0.426 1.00 0.00 N ATOM 134 CA LYS A 11 -12.705 -2.615 -0.970 1.00 0.00 C ATOM 135 C LYS A 11 -12.761 -1.494 0.075 1.00 0.00 C ATOM 136 O LYS A 11 -12.971 -0.329 -0.269 1.00 0.00 O ATOM 137 CB LYS A 11 -14.135 -2.835 -1.470 1.00 0.00 C ATOM 138 CG LYS A 11 -14.344 -4.004 -2.444 1.00 0.00 C ATOM 139 CD LYS A 11 -15.821 -4.021 -2.851 1.00 0.00 C ATOM 140 CE LYS A 11 -16.304 -5.392 -3.323 1.00 0.00 C ATOM 141 NZ LYS A 11 -17.782 -5.462 -3.294 1.00 0.00 N ATOM 0 H LYS A 11 -12.835 -4.474 0.007 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.042 -2.323 -1.785 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.779 -2.991 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.472 -1.920 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -13.708 -3.888 -3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.067 -4.947 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.428 -3.702 -2.003 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.979 -3.294 -3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -15.945 -5.581 -4.335 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.885 -6.170 -2.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.092 -6.401 -3.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.118 -5.303 -2.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.176 -4.732 -3.921 1.00 0.00 H new ATOM 155 N GLU A 12 -12.631 -1.833 1.351 1.00 0.00 N ATOM 156 CA GLU A 12 -12.520 -0.900 2.462 1.00 0.00 C ATOM 157 C GLU A 12 -11.676 -1.566 3.541 1.00 0.00 C ATOM 158 O GLU A 12 -11.405 -2.770 3.445 1.00 0.00 O ATOM 159 CB GLU A 12 -13.909 -0.472 2.962 1.00 0.00 C ATOM 160 CG GLU A 12 -14.818 -1.626 3.434 1.00 0.00 C ATOM 161 CD GLU A 12 -16.309 -1.253 3.428 1.00 0.00 C ATOM 162 OE1 GLU A 12 -16.766 -0.521 2.520 1.00 0.00 O ATOM 163 OE2 GLU A 12 -17.067 -1.716 4.309 1.00 0.00 O ATOM 0 H GLU A 12 -12.599 -2.807 1.651 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.029 0.022 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -13.781 0.230 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -14.417 0.066 2.161 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -14.662 -2.491 2.790 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -14.527 -1.922 4.442 1.00 0.00 H new ATOM 170 N PHE A 13 -11.217 -0.795 4.523 1.00 0.00 N ATOM 171 CA PHE A 13 -10.501 -1.297 5.686 1.00 0.00 C ATOM 172 C PHE A 13 -10.641 -0.292 6.823 1.00 0.00 C ATOM 173 O PHE A 13 -11.160 0.811 6.628 1.00 0.00 O ATOM 174 CB PHE A 13 -9.012 -1.518 5.371 1.00 0.00 C ATOM 175 CG PHE A 13 -8.236 -0.258 5.019 1.00 0.00 C ATOM 176 CD1 PHE A 13 -8.279 0.247 3.708 1.00 0.00 C ATOM 177 CD2 PHE A 13 -7.377 0.342 5.961 1.00 0.00 C ATOM 178 CE1 PHE A 13 -7.485 1.344 3.335 1.00 0.00 C ATOM 179 CE2 PHE A 13 -6.559 1.423 5.584 1.00 0.00 C ATOM 180 CZ PHE A 13 -6.640 1.944 4.284 1.00 0.00 C ATOM 0 H PHE A 13 -11.336 0.218 4.530 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.930 -2.257 5.974 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -8.540 -1.989 6.233 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -8.932 -2.220 4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -8.930 -0.214 2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.346 -0.029 6.975 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.524 1.724 2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.869 1.852 6.295 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.052 2.808 4.012 1.00 0.00 H new ATOM 190 N THR A 14 -10.090 -0.649 7.978 1.00 0.00 N ATOM 191 CA THR A 14 -9.853 0.254 9.085 1.00 0.00 C ATOM 192 C THR A 14 -8.394 0.027 9.472 1.00 0.00 C ATOM 193 O THR A 14 -7.971 -1.126 9.597 1.00 0.00 O ATOM 194 CB THR A 14 -10.833 -0.022 10.242 1.00 0.00 C ATOM 195 OG1 THR A 14 -12.103 -0.419 9.737 1.00 0.00 O ATOM 196 CG2 THR A 14 -11.022 1.198 11.147 1.00 0.00 C ATOM 0 H THR A 14 -9.789 -1.605 8.170 1.00 0.00 H new ATOM 0 HA THR A 14 -10.024 1.298 8.822 1.00 0.00 H new ATOM 0 HB THR A 14 -10.395 -0.825 10.835 1.00 0.00 H new ATOM 0 HG1 THR A 14 -12.713 -0.592 10.484 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.721 0.953 11.947 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.063 1.483 11.579 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.417 2.028 10.561 1.00 0.00 H new ATOM 204 N ALA A 15 -7.605 1.092 9.596 1.00 0.00 N ATOM 205 CA ALA A 15 -6.244 1.042 10.112 1.00 0.00 C ATOM 206 C ALA A 15 -6.043 2.296 10.945 1.00 0.00 C ATOM 207 O ALA A 15 -6.576 3.346 10.589 1.00 0.00 O ATOM 208 CB ALA A 15 -5.221 0.975 8.980 1.00 0.00 C ATOM 0 H ALA A 15 -7.903 2.032 9.334 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.099 0.145 10.713 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.216 0.939 9.400 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.397 0.080 8.383 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.319 1.858 8.348 1.00 0.00 H new ATOM 214 N ASP A 16 -5.316 2.169 12.056 1.00 0.00 N ATOM 215 CA ASP A 16 -5.104 3.227 13.048 1.00 0.00 C ATOM 216 C ASP A 16 -6.422 3.937 13.342 1.00 0.00 C ATOM 217 O ASP A 16 -6.542 5.154 13.211 1.00 0.00 O ATOM 218 CB ASP A 16 -3.994 4.198 12.651 1.00 0.00 C ATOM 219 CG ASP A 16 -2.701 3.504 12.255 1.00 0.00 C ATOM 220 OD1 ASP A 16 -2.311 2.514 12.916 1.00 0.00 O ATOM 221 OD2 ASP A 16 -2.107 3.909 11.231 1.00 0.00 O ATOM 0 H ASP A 16 -4.843 1.299 12.299 1.00 0.00 H new ATOM 0 HA ASP A 16 -4.756 2.758 13.968 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.338 4.812 11.819 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.796 4.873 13.484 1.00 0.00 H new ATOM 226 N PHE A 17 -7.417 3.107 13.659 1.00 0.00 N ATOM 227 CA PHE A 17 -8.781 3.396 14.059 1.00 0.00 C ATOM 228 C PHE A 17 -9.511 4.414 13.161 1.00 0.00 C ATOM 229 O PHE A 17 -10.522 4.989 13.571 1.00 0.00 O ATOM 230 CB PHE A 17 -8.803 3.611 15.582 1.00 0.00 C ATOM 231 CG PHE A 17 -7.598 4.348 16.138 1.00 0.00 C ATOM 232 CD1 PHE A 17 -7.497 5.713 15.886 1.00 0.00 C ATOM 233 CD2 PHE A 17 -6.509 3.671 16.713 1.00 0.00 C ATOM 234 CE1 PHE A 17 -6.388 6.446 16.332 1.00 0.00 C ATOM 235 CE2 PHE A 17 -5.391 4.392 17.163 1.00 0.00 C ATOM 236 CZ PHE A 17 -5.341 5.785 16.995 1.00 0.00 C ATOM 0 H PHE A 17 -7.259 2.100 13.636 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.427 2.538 13.871 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.704 4.167 15.843 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.875 2.639 16.071 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -8.283 6.214 15.340 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.532 2.596 16.809 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.339 7.512 16.167 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.570 3.875 17.638 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.500 6.347 17.374 1.00 0.00 H new ATOM 246 N THR A 18 -9.070 4.541 11.905 1.00 0.00 N ATOM 247 CA THR A 18 -9.676 5.341 10.845 1.00 0.00 C ATOM 248 C THR A 18 -10.147 4.374 9.753 1.00 0.00 C ATOM 249 O THR A 18 -9.443 3.411 9.440 1.00 0.00 O ATOM 250 CB THR A 18 -8.621 6.331 10.309 1.00 0.00 C ATOM 251 OG1 THR A 18 -8.189 7.221 11.322 1.00 0.00 O ATOM 252 CG2 THR A 18 -9.131 7.197 9.155 1.00 0.00 C ATOM 0 H THR A 18 -8.230 4.058 11.586 1.00 0.00 H new ATOM 0 HA THR A 18 -10.528 5.919 11.204 1.00 0.00 H new ATOM 0 HB THR A 18 -7.806 5.699 9.956 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.678 6.726 11.996 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.338 7.870 8.827 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.431 6.557 8.325 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.988 7.782 9.490 1.00 0.00 H new ATOM 260 N GLN A 19 -11.340 4.599 9.193 1.00 0.00 N ATOM 261 CA GLN A 19 -11.882 3.819 8.088 1.00 0.00 C ATOM 262 C GLN A 19 -11.453 4.452 6.763 1.00 0.00 C ATOM 263 O GLN A 19 -11.301 5.674 6.681 1.00 0.00 O ATOM 264 CB GLN A 19 -13.413 3.789 8.205 1.00 0.00 C ATOM 265 CG GLN A 19 -14.073 2.803 7.231 1.00 0.00 C ATOM 266 CD GLN A 19 -15.086 1.913 7.932 1.00 0.00 C ATOM 267 OE1 GLN A 19 -16.284 2.189 7.926 1.00 0.00 O ATOM 268 NE2 GLN A 19 -14.631 0.840 8.561 1.00 0.00 N ATOM 0 H GLN A 19 -11.964 5.344 9.505 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.503 2.797 8.123 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.688 3.521 9.225 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.805 4.789 8.021 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.566 3.356 6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.306 2.184 6.764 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.633 0.629 8.554 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.279 0.224 9.053 1.00 0.00 H new ATOM 277 N PHE A 20 -11.312 3.644 5.713 1.00 0.00 N ATOM 278 CA PHE A 20 -10.895 4.097 4.394 1.00 0.00 C ATOM 279 C PHE A 20 -11.510 3.214 3.319 1.00 0.00 C ATOM 280 O PHE A 20 -11.719 2.015 3.535 1.00 0.00 O ATOM 281 CB PHE A 20 -9.385 3.947 4.273 1.00 0.00 C ATOM 282 CG PHE A 20 -8.523 4.705 5.256 1.00 0.00 C ATOM 283 CD1 PHE A 20 -8.064 6.002 4.958 1.00 0.00 C ATOM 284 CD2 PHE A 20 -8.132 4.073 6.449 1.00 0.00 C ATOM 285 CE1 PHE A 20 -7.197 6.660 5.848 1.00 0.00 C ATOM 286 CE2 PHE A 20 -7.245 4.723 7.325 1.00 0.00 C ATOM 287 CZ PHE A 20 -6.772 6.013 7.023 1.00 0.00 C ATOM 0 H PHE A 20 -11.488 2.640 5.760 1.00 0.00 H new ATOM 0 HA PHE A 20 -11.210 5.133 4.269 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.145 2.888 4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -9.097 4.254 3.268 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -8.377 6.491 4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -8.512 3.092 6.692 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.857 7.662 5.630 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.926 4.231 8.232 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.083 6.506 7.693 1.00 0.00 H new ATOM 297 N HIS A 21 -11.678 3.772 2.120 1.00 0.00 N ATOM 298 CA HIS A 21 -12.314 3.103 0.992 1.00 0.00 C ATOM 299 C HIS A 21 -11.478 3.357 -0.261 1.00 0.00 C ATOM 300 O HIS A 21 -10.704 4.319 -0.307 1.00 0.00 O ATOM 301 CB HIS A 21 -13.745 3.643 0.825 1.00 0.00 C ATOM 302 CG HIS A 21 -14.469 3.862 2.134 1.00 0.00 C ATOM 303 ND1 HIS A 21 -14.435 5.023 2.878 1.00 0.00 N ATOM 304 CD2 HIS A 21 -15.184 2.937 2.842 1.00 0.00 C ATOM 305 CE1 HIS A 21 -15.120 4.807 4.012 1.00 0.00 C ATOM 306 NE2 HIS A 21 -15.621 3.560 4.016 1.00 0.00 N ATOM 0 H HIS A 21 -11.369 4.720 1.905 1.00 0.00 H new ATOM 0 HA HIS A 21 -12.373 2.028 1.163 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -13.707 4.586 0.279 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -14.318 2.945 0.215 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -13.971 5.892 2.613 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -15.376 1.915 2.550 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.249 5.529 4.805 1.00 0.00 H new ATOM 314 N ILE A 22 -11.659 2.531 -1.294 1.00 0.00 N ATOM 315 CA ILE A 22 -11.054 2.758 -2.601 1.00 0.00 C ATOM 316 C ILE A 22 -11.559 4.115 -3.096 1.00 0.00 C ATOM 317 O ILE A 22 -12.757 4.276 -3.352 1.00 0.00 O ATOM 318 CB ILE A 22 -11.380 1.603 -3.574 1.00 0.00 C ATOM 319 CG1 ILE A 22 -10.921 0.224 -3.049 1.00 0.00 C ATOM 320 CG2 ILE A 22 -10.805 1.866 -4.978 1.00 0.00 C ATOM 321 CD1 ILE A 22 -9.416 0.020 -2.870 1.00 0.00 C ATOM 0 H ILE A 22 -12.230 1.687 -1.244 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.966 2.777 -2.536 1.00 0.00 H new ATOM 0 HB ILE A 22 -12.467 1.571 -3.645 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -11.404 0.049 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.288 -0.540 -3.735 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.054 1.033 -5.635 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.232 2.785 -5.380 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.722 1.967 -4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.227 -0.987 -2.497 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.914 0.152 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.032 0.749 -2.156 1.00 0.00 H new ATOM 333 N GLY A 23 -10.656 5.090 -3.201 1.00 0.00 N ATOM 334 CA GLY A 23 -10.952 6.450 -3.625 1.00 0.00 C ATOM 335 C GLY A 23 -10.780 7.499 -2.523 1.00 0.00 C ATOM 336 O GLY A 23 -10.752 8.680 -2.863 1.00 0.00 O ATOM 0 H GLY A 23 -9.669 4.946 -2.986 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.303 6.708 -4.462 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.977 6.490 -3.993 1.00 0.00 H new ATOM 340 N ASP A 24 -10.651 7.117 -1.249 1.00 0.00 N ATOM 341 CA ASP A 24 -10.250 8.044 -0.176 1.00 0.00 C ATOM 342 C ASP A 24 -8.741 8.317 -0.268 1.00 0.00 C ATOM 343 O ASP A 24 -8.098 7.880 -1.224 1.00 0.00 O ATOM 344 CB ASP A 24 -10.663 7.500 1.205 1.00 0.00 C ATOM 345 CG ASP A 24 -12.090 7.913 1.537 1.00 0.00 C ATOM 346 OD1 ASP A 24 -12.344 9.131 1.665 1.00 0.00 O ATOM 347 OD2 ASP A 24 -12.959 7.019 1.637 1.00 0.00 O ATOM 0 H ASP A 24 -10.819 6.163 -0.929 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.771 8.993 -0.304 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.582 6.413 1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.982 7.876 1.969 1.00 0.00 H new ATOM 352 N THR A 25 -8.133 9.010 0.698 1.00 0.00 N ATOM 353 CA THR A 25 -6.724 9.345 0.735 1.00 0.00 C ATOM 354 C THR A 25 -6.137 8.884 2.075 1.00 0.00 C ATOM 355 O THR A 25 -6.836 8.907 3.091 1.00 0.00 O ATOM 356 CB THR A 25 -6.585 10.866 0.585 1.00 0.00 C ATOM 357 OG1 THR A 25 -7.718 11.602 1.010 1.00 0.00 O ATOM 358 CG2 THR A 25 -6.257 11.285 -0.846 1.00 0.00 C ATOM 0 H THR A 25 -8.641 9.365 1.508 1.00 0.00 H new ATOM 0 HA THR A 25 -6.186 8.850 -0.074 1.00 0.00 H new ATOM 0 HB THR A 25 -5.754 11.108 1.248 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.552 12.560 0.885 1.00 0.00 H new ATOM 0 HG21 THR A 25 -6.170 12.370 -0.896 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.314 10.831 -1.151 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.052 10.954 -1.514 1.00 0.00 H new ATOM 366 N VAL A 26 -4.857 8.502 2.110 1.00 0.00 N ATOM 367 CA VAL A 26 -4.189 8.106 3.351 1.00 0.00 C ATOM 368 C VAL A 26 -3.531 9.325 4.012 1.00 0.00 C ATOM 369 O VAL A 26 -3.142 10.250 3.294 1.00 0.00 O ATOM 370 CB VAL A 26 -3.137 7.014 3.083 1.00 0.00 C ATOM 371 CG1 VAL A 26 -3.745 5.820 2.352 1.00 0.00 C ATOM 372 CG2 VAL A 26 -1.892 7.474 2.313 1.00 0.00 C ATOM 0 H VAL A 26 -4.259 8.459 1.285 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.940 7.699 4.028 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.803 6.733 4.082 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.975 5.068 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.542 5.390 2.958 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.153 6.148 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.216 6.630 2.177 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.189 7.861 1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.385 8.258 2.876 1.00 0.00 H new ATOM 382 N PRO A 27 -3.324 9.325 5.341 1.00 0.00 N ATOM 383 CA PRO A 27 -2.498 10.321 6.015 1.00 0.00 C ATOM 384 C PRO A 27 -1.009 10.147 5.692 1.00 0.00 C ATOM 385 O PRO A 27 -0.569 9.081 5.246 1.00 0.00 O ATOM 386 CB PRO A 27 -2.785 10.121 7.505 1.00 0.00 C ATOM 387 CG PRO A 27 -3.148 8.645 7.618 1.00 0.00 C ATOM 388 CD PRO A 27 -3.890 8.394 6.305 1.00 0.00 C ATOM 0 HA PRO A 27 -2.735 11.333 5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.915 10.366 8.115 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.601 10.759 7.843 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -2.264 8.014 7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -3.777 8.446 8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.761 7.363 5.975 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -4.961 8.559 6.424 1.00 0.00 H new ATOM 396 N ALA A 28 -0.204 11.167 6.009 1.00 0.00 N ATOM 397 CA ALA A 28 1.240 11.164 5.788 1.00 0.00 C ATOM 398 C ALA A 28 1.971 10.143 6.667 1.00 0.00 C ATOM 399 O ALA A 28 3.156 9.886 6.460 1.00 0.00 O ATOM 400 CB ALA A 28 1.818 12.566 6.021 1.00 0.00 C ATOM 0 H ALA A 28 -0.546 12.029 6.433 1.00 0.00 H new ATOM 0 HA ALA A 28 1.400 10.869 4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.895 12.548 5.853 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.354 13.270 5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.616 12.877 7.046 1.00 0.00 H new ATOM 406 N MET A 29 1.263 9.538 7.623 1.00 0.00 N ATOM 407 CA MET A 29 1.707 8.403 8.425 1.00 0.00 C ATOM 408 C MET A 29 2.054 7.204 7.530 1.00 0.00 C ATOM 409 O MET A 29 2.856 6.360 7.925 1.00 0.00 O ATOM 410 CB MET A 29 0.617 8.019 9.450 1.00 0.00 C ATOM 411 CG MET A 29 -0.028 9.224 10.170 1.00 0.00 C ATOM 412 SD MET A 29 -0.064 9.239 11.981 1.00 0.00 S ATOM 413 CE MET A 29 1.701 9.079 12.301 1.00 0.00 C ATOM 0 H MET A 29 0.321 9.843 7.868 1.00 0.00 H new ATOM 0 HA MET A 29 2.609 8.692 8.964 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.163 7.455 8.939 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.054 7.355 10.196 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.494 10.123 9.843 1.00 0.00 H new ATOM 0 HG3 MET A 29 -1.056 9.307 9.818 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.922 9.435 13.307 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.993 8.033 12.214 1.00 0.00 H new ATOM 0 HE3 MET A 29 2.258 9.673 11.576 1.00 0.00 H new ATOM 423 N TYR A 30 1.504 7.145 6.310 1.00 0.00 N ATOM 424 CA TYR A 30 1.784 6.087 5.340 1.00 0.00 C ATOM 425 C TYR A 30 2.587 6.574 4.135 1.00 0.00 C ATOM 426 O TYR A 30 3.233 5.764 3.479 1.00 0.00 O ATOM 427 CB TYR A 30 0.459 5.515 4.841 1.00 0.00 C ATOM 428 CG TYR A 30 -0.412 4.936 5.931 1.00 0.00 C ATOM 429 CD1 TYR A 30 -0.046 3.734 6.556 1.00 0.00 C ATOM 430 CD2 TYR A 30 -1.565 5.622 6.346 1.00 0.00 C ATOM 431 CE1 TYR A 30 -0.878 3.176 7.542 1.00 0.00 C ATOM 432 CE2 TYR A 30 -2.410 5.068 7.322 1.00 0.00 C ATOM 433 CZ TYR A 30 -2.073 3.831 7.912 1.00 0.00 C ATOM 434 OH TYR A 30 -2.891 3.275 8.841 1.00 0.00 O ATOM 0 H TYR A 30 0.843 7.842 5.968 1.00 0.00 H new ATOM 0 HA TYR A 30 2.385 5.334 5.850 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.094 6.302 4.328 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.665 4.738 4.104 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.873 3.239 6.280 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.804 6.582 5.912 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.603 2.246 8.017 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.311 5.585 7.619 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.808 3.766 9.685 1.00 0.00 H new ATOM 444 N LEU A 31 2.536 7.874 3.822 1.00 0.00 N ATOM 445 CA LEU A 31 3.216 8.438 2.648 1.00 0.00 C ATOM 446 C LEU A 31 4.718 8.590 2.891 1.00 0.00 C ATOM 447 O LEU A 31 5.483 8.732 1.934 1.00 0.00 O ATOM 448 CB LEU A 31 2.573 9.784 2.255 1.00 0.00 C ATOM 449 CG LEU A 31 1.172 9.545 1.655 1.00 0.00 C ATOM 450 CD1 LEU A 31 0.114 10.606 1.965 1.00 0.00 C ATOM 451 CD2 LEU A 31 1.278 9.373 0.136 1.00 0.00 C ATOM 0 H LEU A 31 2.024 8.563 4.373 1.00 0.00 H new ATOM 0 HA LEU A 31 3.095 7.743 1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.497 10.429 3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.204 10.300 1.532 1.00 0.00 H new ATOM 0 HG LEU A 31 0.820 8.638 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.828 10.330 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.029 10.673 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.444 11.572 1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.285 9.205 -0.281 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.708 10.273 -0.303 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.916 8.519 -0.090 1.00 0.00 H new ATOM 463 N THR A 32 5.128 8.567 4.158 1.00 0.00 N ATOM 464 CA THR A 32 6.504 8.498 4.616 1.00 0.00 C ATOM 465 C THR A 32 7.226 7.292 3.979 1.00 0.00 C ATOM 466 O THR A 32 6.629 6.227 3.798 1.00 0.00 O ATOM 467 CB THR A 32 6.441 8.446 6.155 1.00 0.00 C ATOM 468 OG1 THR A 32 7.703 8.488 6.787 1.00 0.00 O ATOM 469 CG2 THR A 32 5.715 7.215 6.700 1.00 0.00 C ATOM 0 H THR A 32 4.466 8.598 4.933 1.00 0.00 H new ATOM 0 HA THR A 32 7.091 9.364 4.311 1.00 0.00 H new ATOM 0 HB THR A 32 5.880 9.350 6.392 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.583 8.453 7.759 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.711 7.248 7.789 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.689 7.206 6.333 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.228 6.313 6.366 1.00 0.00 H new ATOM 477 N PRO A 33 8.545 7.380 3.720 1.00 0.00 N ATOM 478 CA PRO A 33 9.315 6.269 3.170 1.00 0.00 C ATOM 479 C PRO A 33 9.422 5.085 4.143 1.00 0.00 C ATOM 480 O PRO A 33 9.823 3.991 3.742 1.00 0.00 O ATOM 481 CB PRO A 33 10.692 6.858 2.847 1.00 0.00 C ATOM 482 CG PRO A 33 10.840 8.005 3.838 1.00 0.00 C ATOM 483 CD PRO A 33 9.412 8.522 3.963 1.00 0.00 C ATOM 0 HA PRO A 33 8.828 5.855 2.287 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.482 6.118 2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.744 7.210 1.817 1.00 0.00 H new ATOM 0 HG2 PRO A 33 11.233 7.665 4.796 1.00 0.00 H new ATOM 0 HG3 PRO A 33 11.519 8.774 3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.235 8.941 4.953 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.221 9.316 3.242 1.00 0.00 H new ATOM 491 N GLU A 34 9.033 5.274 5.407 1.00 0.00 N ATOM 492 CA GLU A 34 9.156 4.309 6.487 1.00 0.00 C ATOM 493 C GLU A 34 8.333 3.035 6.273 1.00 0.00 C ATOM 494 O GLU A 34 8.538 2.078 7.019 1.00 0.00 O ATOM 495 CB GLU A 34 8.786 5.007 7.807 1.00 0.00 C ATOM 496 CG GLU A 34 10.033 5.644 8.424 1.00 0.00 C ATOM 497 CD GLU A 34 9.682 6.554 9.598 1.00 0.00 C ATOM 498 OE1 GLU A 34 9.275 6.036 10.668 1.00 0.00 O ATOM 499 OE2 GLU A 34 9.777 7.791 9.454 1.00 0.00 O ATOM 0 H GLU A 34 8.604 6.148 5.713 1.00 0.00 H new ATOM 0 HA GLU A 34 10.190 3.966 6.517 1.00 0.00 H new ATOM 0 HB2 GLU A 34 8.029 5.770 7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.353 4.287 8.501 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.712 4.861 8.761 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.562 6.219 7.664 1.00 0.00 H new ATOM 506 N TYR A 35 7.449 2.982 5.271 1.00 0.00 N ATOM 507 CA TYR A 35 6.638 1.808 4.956 1.00 0.00 C ATOM 508 C TYR A 35 6.662 1.459 3.464 1.00 0.00 C ATOM 509 O TYR A 35 6.029 0.479 3.067 1.00 0.00 O ATOM 510 CB TYR A 35 5.206 2.044 5.451 1.00 0.00 C ATOM 511 CG TYR A 35 5.119 2.372 6.929 1.00 0.00 C ATOM 512 CD1 TYR A 35 5.138 1.346 7.894 1.00 0.00 C ATOM 513 CD2 TYR A 35 5.079 3.717 7.339 1.00 0.00 C ATOM 514 CE1 TYR A 35 5.074 1.667 9.263 1.00 0.00 C ATOM 515 CE2 TYR A 35 5.029 4.045 8.702 1.00 0.00 C ATOM 516 CZ TYR A 35 5.003 3.019 9.670 1.00 0.00 C ATOM 517 OH TYR A 35 4.986 3.333 10.990 1.00 0.00 O ATOM 0 H TYR A 35 7.276 3.770 4.647 1.00 0.00 H new ATOM 0 HA TYR A 35 7.066 0.947 5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.763 2.860 4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.610 1.154 5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.202 0.314 7.584 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.087 4.503 6.599 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.079 0.880 10.003 1.00 0.00 H new ATOM 0 HE2 TYR A 35 5.010 5.080 9.009 1.00 0.00 H new ATOM 0 HH TYR A 35 4.936 4.306 11.094 1.00 0.00 H new ATOM 527 N ASN A 36 7.389 2.222 2.640 1.00 0.00 N ATOM 528 CA ASN A 36 7.413 2.128 1.185 1.00 0.00 C ATOM 529 C ASN A 36 7.984 0.773 0.739 1.00 0.00 C ATOM 530 O ASN A 36 9.013 0.342 1.265 1.00 0.00 O ATOM 531 CB ASN A 36 8.275 3.294 0.652 1.00 0.00 C ATOM 532 CG ASN A 36 7.517 4.396 -0.087 1.00 0.00 C ATOM 533 OD1 ASN A 36 6.299 4.474 -0.061 1.00 0.00 O ATOM 534 ND2 ASN A 36 8.221 5.241 -0.821 1.00 0.00 N ATOM 0 H ASN A 36 8.004 2.956 2.992 1.00 0.00 H new ATOM 0 HA ASN A 36 6.402 2.197 0.784 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.804 3.743 1.492 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.031 2.886 -0.019 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.746 5.960 -1.367 1.00 0.00 H new ATOM 0 HD22 ASN A 36 9.239 5.174 -0.841 1.00 0.00 H new ATOM 541 N ILE A 37 7.384 0.114 -0.259 1.00 0.00 N ATOM 542 CA ILE A 37 7.742 -1.225 -0.737 1.00 0.00 C ATOM 543 C ILE A 37 8.169 -1.124 -2.199 1.00 0.00 C ATOM 544 O ILE A 37 7.385 -1.327 -3.129 1.00 0.00 O ATOM 545 CB ILE A 37 6.595 -2.244 -0.532 1.00 0.00 C ATOM 546 CG1 ILE A 37 6.159 -2.274 0.941 1.00 0.00 C ATOM 547 CG2 ILE A 37 7.028 -3.665 -0.951 1.00 0.00 C ATOM 548 CD1 ILE A 37 4.823 -2.950 1.168 1.00 0.00 C ATOM 0 H ILE A 37 6.603 0.517 -0.777 1.00 0.00 H new ATOM 0 HA ILE A 37 8.576 -1.605 -0.147 1.00 0.00 H new ATOM 0 HB ILE A 37 5.762 -1.926 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.921 -2.790 1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.107 -1.252 1.316 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.201 -4.358 -0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.308 -3.664 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.882 -3.978 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.582 -2.933 2.231 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.049 -2.422 0.612 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.875 -3.983 0.825 1.00 0.00 H new ATOM 560 N LYS A 38 9.460 -0.880 -2.413 1.00 0.00 N ATOM 561 CA LYS A 38 10.076 -0.987 -3.738 1.00 0.00 C ATOM 562 C LYS A 38 10.155 -2.441 -4.214 1.00 0.00 C ATOM 563 O LYS A 38 10.384 -2.673 -5.398 1.00 0.00 O ATOM 564 CB LYS A 38 11.465 -0.306 -3.727 1.00 0.00 C ATOM 565 CG LYS A 38 11.267 1.215 -3.670 1.00 0.00 C ATOM 566 CD LYS A 38 12.512 2.104 -3.717 1.00 0.00 C ATOM 567 CE LYS A 38 13.312 2.143 -2.413 1.00 0.00 C ATOM 568 NZ LYS A 38 14.512 2.995 -2.547 1.00 0.00 N ATOM 0 H LYS A 38 10.109 -0.603 -1.676 1.00 0.00 H new ATOM 0 HA LYS A 38 9.443 -0.466 -4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.045 -0.644 -2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 38 12.028 -0.581 -4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 38 10.622 1.499 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 38 10.725 1.447 -2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 38 13.163 1.754 -4.518 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.209 3.119 -3.973 1.00 0.00 H new ATOM 0 HE2 LYS A 38 12.682 2.522 -1.608 1.00 0.00 H new ATOM 0 HE3 LYS A 38 13.610 1.132 -2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.035 3.003 -1.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.123 2.618 -3.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.224 3.965 -2.788 1.00 0.00 H new ATOM 582 N GLN A 39 9.958 -3.421 -3.333 1.00 0.00 N ATOM 583 CA GLN A 39 10.348 -4.816 -3.528 1.00 0.00 C ATOM 584 C GLN A 39 9.128 -5.668 -3.906 1.00 0.00 C ATOM 585 O GLN A 39 8.905 -6.747 -3.354 1.00 0.00 O ATOM 586 CB GLN A 39 11.053 -5.295 -2.244 1.00 0.00 C ATOM 587 CG GLN A 39 12.224 -4.371 -1.858 1.00 0.00 C ATOM 588 CD GLN A 39 12.971 -4.873 -0.634 1.00 0.00 C ATOM 589 OE1 GLN A 39 14.126 -5.285 -0.736 1.00 0.00 O ATOM 590 NE2 GLN A 39 12.380 -4.780 0.546 1.00 0.00 N ATOM 0 H GLN A 39 9.507 -3.259 -2.433 1.00 0.00 H new ATOM 0 HA GLN A 39 11.045 -4.918 -4.360 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.334 -5.332 -1.426 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.423 -6.310 -2.389 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.915 -4.293 -2.697 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.844 -3.368 -1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 39 11.422 -4.436 0.611 1.00 0.00 H new ATOM 0 HE22 GLN A 39 12.882 -5.052 1.391 1.00 0.00 H new ATOM 599 N TRP A 40 8.282 -5.150 -4.798 1.00 0.00 N ATOM 600 CA TRP A 40 7.006 -5.765 -5.137 1.00 0.00 C ATOM 601 C TRP A 40 7.134 -7.061 -5.939 1.00 0.00 C ATOM 602 O TRP A 40 6.171 -7.821 -5.981 1.00 0.00 O ATOM 603 CB TRP A 40 6.115 -4.755 -5.862 1.00 0.00 C ATOM 604 CG TRP A 40 6.624 -4.120 -7.118 1.00 0.00 C ATOM 605 CD1 TRP A 40 7.328 -2.968 -7.206 1.00 0.00 C ATOM 606 CD2 TRP A 40 6.382 -4.550 -8.490 1.00 0.00 C ATOM 607 NE1 TRP A 40 7.547 -2.665 -8.536 1.00 0.00 N ATOM 608 CE2 TRP A 40 6.965 -3.594 -9.371 1.00 0.00 C ATOM 609 CE3 TRP A 40 5.691 -5.631 -9.079 1.00 0.00 C ATOM 610 CZ2 TRP A 40 6.854 -3.699 -10.766 1.00 0.00 C ATOM 611 CZ3 TRP A 40 5.590 -5.760 -10.473 1.00 0.00 C ATOM 612 CH2 TRP A 40 6.157 -4.789 -11.312 1.00 0.00 C ATOM 0 H TRP A 40 8.468 -4.286 -5.307 1.00 0.00 H new ATOM 0 HA TRP A 40 6.542 -6.055 -4.194 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.176 -5.254 -6.101 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.881 -3.956 -5.159 1.00 0.00 H new ATOM 0 HD1 TRP A 40 7.666 -2.377 -6.367 1.00 0.00 H new ATOM 0 HE1 TRP A 40 8.074 -1.854 -8.860 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.231 -6.374 -8.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 7.298 -2.953 -11.409 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.075 -6.608 -10.900 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.057 -4.880 -12.383 1.00 0.00 H new ATOM 623 N GLN A 41 8.297 -7.358 -6.523 1.00 0.00 N ATOM 624 CA GLN A 41 8.563 -8.663 -7.124 1.00 0.00 C ATOM 625 C GLN A 41 8.596 -9.775 -6.073 1.00 0.00 C ATOM 626 O GLN A 41 8.350 -10.934 -6.416 1.00 0.00 O ATOM 627 CB GLN A 41 9.903 -8.632 -7.874 1.00 0.00 C ATOM 628 CG GLN A 41 9.751 -8.026 -9.270 1.00 0.00 C ATOM 629 CD GLN A 41 11.044 -7.360 -9.721 1.00 0.00 C ATOM 630 OE1 GLN A 41 11.213 -6.159 -9.518 1.00 0.00 O ATOM 631 NE2 GLN A 41 11.999 -8.089 -10.269 1.00 0.00 N ATOM 0 H GLN A 41 9.076 -6.703 -6.592 1.00 0.00 H new ATOM 0 HA GLN A 41 7.751 -8.876 -7.819 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.628 -8.053 -7.302 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.298 -9.644 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.472 -8.805 -9.980 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.943 -7.294 -9.266 1.00 0.00 H new ATOM 0 HE21 GLN A 41 11.850 -9.085 -10.434 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.886 -7.657 -10.528 1.00 0.00 H new ATOM 640 N GLN A 42 8.907 -9.477 -4.806 1.00 0.00 N ATOM 641 CA GLN A 42 9.135 -10.460 -3.771 1.00 0.00 C ATOM 642 C GLN A 42 7.823 -10.906 -3.113 1.00 0.00 C ATOM 643 O GLN A 42 7.693 -10.926 -1.889 1.00 0.00 O ATOM 644 CB GLN A 42 10.068 -9.784 -2.777 1.00 0.00 C ATOM 645 CG GLN A 42 10.995 -10.739 -2.048 1.00 0.00 C ATOM 646 CD GLN A 42 10.601 -12.216 -1.950 1.00 0.00 C ATOM 647 OE1 GLN A 42 10.702 -12.960 -2.917 1.00 0.00 O ATOM 648 NE2 GLN A 42 10.271 -12.706 -0.773 1.00 0.00 N ATOM 0 H GLN A 42 9.007 -8.517 -4.476 1.00 0.00 H new ATOM 0 HA GLN A 42 9.573 -11.374 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.669 -9.044 -3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.470 -9.244 -2.043 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.970 -10.689 -2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 42 11.125 -10.363 -1.033 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.187 -12.086 0.032 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.099 -13.706 -0.667 1.00 0.00 H new ATOM 657 N ARG A 43 6.802 -11.054 -3.945 1.00 0.00 N ATOM 658 CA ARG A 43 5.382 -11.231 -3.667 1.00 0.00 C ATOM 659 C ARG A 43 4.664 -11.200 -5.015 1.00 0.00 C ATOM 660 O ARG A 43 5.161 -10.600 -5.971 1.00 0.00 O ATOM 661 CB ARG A 43 4.882 -10.143 -2.695 1.00 0.00 C ATOM 662 CG ARG A 43 5.332 -8.705 -3.029 1.00 0.00 C ATOM 663 CD ARG A 43 5.401 -7.828 -1.778 1.00 0.00 C ATOM 664 NE ARG A 43 6.602 -8.077 -0.961 1.00 0.00 N ATOM 665 CZ ARG A 43 6.882 -7.447 0.189 1.00 0.00 C ATOM 666 NH1 ARG A 43 5.993 -6.647 0.769 1.00 0.00 N ATOM 667 NH2 ARG A 43 8.062 -7.601 0.772 1.00 0.00 N ATOM 0 H ARG A 43 6.969 -11.053 -4.951 1.00 0.00 H new ATOM 0 HA ARG A 43 5.180 -12.180 -3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.793 -10.170 -2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.226 -10.390 -1.691 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.310 -8.732 -3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.638 -8.264 -3.745 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.383 -6.780 -2.076 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.513 -8.002 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 43 7.266 -8.777 -1.293 1.00 0.00 H new ATOM 0 HH11 ARG A 43 5.079 -6.504 0.339 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.225 -6.176 1.644 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.767 -8.203 0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.266 -7.118 1.647 1.00 0.00 H new ATOM 681 N ASN A 44 3.476 -11.793 -5.107 1.00 0.00 N ATOM 682 CA ASN A 44 2.751 -11.935 -6.375 1.00 0.00 C ATOM 683 C ASN A 44 1.987 -10.656 -6.735 1.00 0.00 C ATOM 684 O ASN A 44 1.293 -10.645 -7.751 1.00 0.00 O ATOM 685 CB ASN A 44 1.754 -13.117 -6.365 1.00 0.00 C ATOM 686 CG ASN A 44 2.308 -14.441 -5.847 1.00 0.00 C ATOM 687 OD1 ASN A 44 3.513 -14.652 -5.729 1.00 0.00 O ATOM 688 ND2 ASN A 44 1.436 -15.350 -5.461 1.00 0.00 N ATOM 0 H ASN A 44 2.985 -12.190 -4.306 1.00 0.00 H new ATOM 0 HA ASN A 44 3.517 -12.132 -7.125 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.895 -12.839 -5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.388 -13.269 -7.380 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.760 -16.231 -5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.436 -15.172 -5.560 1.00 0.00 H new ATOM 695 N LEU A 45 2.063 -9.595 -5.918 1.00 0.00 N ATOM 696 CA LEU A 45 1.310 -8.357 -6.135 1.00 0.00 C ATOM 697 C LEU A 45 1.582 -7.781 -7.527 1.00 0.00 C ATOM 698 O LEU A 45 2.691 -7.947 -8.047 1.00 0.00 O ATOM 699 CB LEU A 45 1.691 -7.279 -5.110 1.00 0.00 C ATOM 700 CG LEU A 45 1.042 -7.468 -3.735 1.00 0.00 C ATOM 701 CD1 LEU A 45 1.885 -6.810 -2.647 1.00 0.00 C ATOM 702 CD2 LEU A 45 -0.351 -6.834 -3.722 1.00 0.00 C ATOM 0 H LEU A 45 2.652 -9.574 -5.085 1.00 0.00 H new ATOM 0 HA LEU A 45 0.257 -8.618 -6.030 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.774 -7.272 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.408 -6.303 -5.503 1.00 0.00 H new ATOM 0 HG LEU A 45 0.969 -8.538 -3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.407 -6.956 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.877 -7.261 -2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.974 -5.743 -2.851 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.805 -6.973 -2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.268 -5.768 -3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.974 -7.308 -4.480 1.00 0.00 H new ATOM 714 N PRO A 46 0.613 -7.045 -8.098 1.00 0.00 N ATOM 715 CA PRO A 46 0.805 -6.371 -9.364 1.00 0.00 C ATOM 716 C PRO A 46 1.824 -5.236 -9.218 1.00 0.00 C ATOM 717 O PRO A 46 2.174 -4.794 -8.112 1.00 0.00 O ATOM 718 CB PRO A 46 -0.578 -5.852 -9.776 1.00 0.00 C ATOM 719 CG PRO A 46 -1.333 -5.708 -8.464 1.00 0.00 C ATOM 720 CD PRO A 46 -0.705 -6.756 -7.553 1.00 0.00 C ATOM 0 HA PRO A 46 1.207 -7.038 -10.127 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.505 -4.899 -10.299 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -1.079 -6.548 -10.449 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.225 -4.705 -8.051 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.400 -5.885 -8.597 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.629 -6.385 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.317 -7.657 -7.520 1.00 0.00 H new ATOM 728 N ALA A 47 2.242 -4.722 -10.374 1.00 0.00 N ATOM 729 CA ALA A 47 2.991 -3.485 -10.487 1.00 0.00 C ATOM 730 C ALA A 47 2.201 -2.324 -9.859 1.00 0.00 C ATOM 731 O ALA A 47 0.974 -2.409 -9.733 1.00 0.00 O ATOM 732 CB ALA A 47 3.260 -3.229 -11.975 1.00 0.00 C ATOM 0 H ALA A 47 2.062 -5.168 -11.273 1.00 0.00 H new ATOM 0 HA ALA A 47 3.937 -3.561 -9.951 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.823 -2.303 -12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.836 -4.057 -12.388 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.312 -3.145 -12.507 1.00 0.00 H new ATOM 738 N PRO A 48 2.862 -1.225 -9.463 1.00 0.00 N ATOM 739 CA PRO A 48 2.164 0.005 -9.115 1.00 0.00 C ATOM 740 C PRO A 48 1.497 0.609 -10.362 1.00 0.00 C ATOM 741 O PRO A 48 1.867 0.302 -11.497 1.00 0.00 O ATOM 742 CB PRO A 48 3.246 0.914 -8.520 1.00 0.00 C ATOM 743 CG PRO A 48 4.522 0.455 -9.224 1.00 0.00 C ATOM 744 CD PRO A 48 4.305 -1.046 -9.392 1.00 0.00 C ATOM 0 HA PRO A 48 1.354 -0.147 -8.401 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.037 1.966 -8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.319 0.797 -7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.654 0.953 -10.185 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.410 0.670 -8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.791 -1.414 -10.296 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.728 -1.600 -8.554 1.00 0.00 H new ATOM 752 N ASP A 49 0.542 1.514 -10.152 1.00 0.00 N ATOM 753 CA ASP A 49 0.082 2.443 -11.183 1.00 0.00 C ATOM 754 C ASP A 49 1.205 3.461 -11.424 1.00 0.00 C ATOM 755 O ASP A 49 2.113 3.615 -10.598 1.00 0.00 O ATOM 756 CB ASP A 49 -1.221 3.168 -10.771 1.00 0.00 C ATOM 757 CG ASP A 49 -2.464 2.290 -10.583 1.00 0.00 C ATOM 758 OD1 ASP A 49 -2.413 1.053 -10.770 1.00 0.00 O ATOM 759 OD2 ASP A 49 -3.538 2.848 -10.265 1.00 0.00 O ATOM 0 H ASP A 49 0.064 1.624 -9.258 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.146 1.888 -12.093 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.035 3.700 -9.838 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.446 3.920 -11.527 1.00 0.00 H new ATOM 764 N ALA A 50 1.169 4.180 -12.542 1.00 0.00 N ATOM 765 CA ALA A 50 2.196 5.148 -12.905 1.00 0.00 C ATOM 766 C ALA A 50 2.229 6.315 -11.904 1.00 0.00 C ATOM 767 O ALA A 50 1.321 7.148 -11.907 1.00 0.00 O ATOM 768 CB ALA A 50 1.935 5.630 -14.333 1.00 0.00 C ATOM 0 H ALA A 50 0.418 4.105 -13.228 1.00 0.00 H new ATOM 0 HA ALA A 50 3.178 4.677 -12.866 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.697 6.356 -14.617 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.970 4.781 -15.016 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.952 6.098 -14.385 1.00 0.00 H new ATOM 774 N GLY A 51 3.271 6.408 -11.072 1.00 0.00 N ATOM 775 CA GLY A 51 3.384 7.470 -10.068 1.00 0.00 C ATOM 776 C GLY A 51 2.637 7.121 -8.784 1.00 0.00 C ATOM 777 O GLY A 51 2.073 7.999 -8.125 1.00 0.00 O ATOM 0 H GLY A 51 4.054 5.755 -11.075 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.436 7.644 -9.840 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.988 8.400 -10.477 1.00 0.00 H new ATOM 781 N SER A 52 2.614 5.839 -8.429 1.00 0.00 N ATOM 782 CA SER A 52 2.062 5.353 -7.179 1.00 0.00 C ATOM 783 C SER A 52 3.076 4.420 -6.521 1.00 0.00 C ATOM 784 O SER A 52 4.088 4.058 -7.135 1.00 0.00 O ATOM 785 CB SER A 52 0.709 4.693 -7.467 1.00 0.00 C ATOM 786 OG SER A 52 0.879 3.530 -8.234 1.00 0.00 O ATOM 0 H SER A 52 2.989 5.097 -9.020 1.00 0.00 H new ATOM 0 HA SER A 52 1.877 6.161 -6.471 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.212 4.447 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.062 5.393 -7.996 1.00 0.00 H new ATOM 0 HG SER A 52 1.544 3.695 -8.935 1.00 0.00 H new ATOM 792 N HIS A 53 2.813 4.024 -5.279 1.00 0.00 N ATOM 793 CA HIS A 53 3.669 3.118 -4.543 1.00 0.00 C ATOM 794 C HIS A 53 2.840 2.197 -3.681 1.00 0.00 C ATOM 795 O HIS A 53 1.748 2.549 -3.235 1.00 0.00 O ATOM 796 CB HIS A 53 4.618 3.913 -3.655 1.00 0.00 C ATOM 797 CG HIS A 53 5.927 3.219 -3.452 1.00 0.00 C ATOM 798 ND1 HIS A 53 6.909 3.139 -4.405 1.00 0.00 N ATOM 799 CD2 HIS A 53 6.368 2.592 -2.322 1.00 0.00 C ATOM 800 CE1 HIS A 53 7.936 2.479 -3.860 1.00 0.00 C ATOM 801 NE2 HIS A 53 7.674 2.144 -2.584 1.00 0.00 N ATOM 0 H HIS A 53 1.992 4.329 -4.757 1.00 0.00 H new ATOM 0 HA HIS A 53 4.241 2.524 -5.256 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.794 4.892 -4.101 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.147 4.084 -2.687 1.00 0.00 H new ATOM 0 HD1 HIS A 53 6.864 3.513 -5.353 1.00 0.00 H new ATOM 0 HD2 HIS A 53 5.818 2.465 -1.402 1.00 0.00 H new ATOM 0 HE1 HIS A 53 8.855 2.245 -4.376 1.00 0.00 H new ATOM 809 N TRP A 54 3.409 1.034 -3.421 1.00 0.00 N ATOM 810 CA TRP A 54 2.844 0.056 -2.512 1.00 0.00 C ATOM 811 C TRP A 54 3.466 0.261 -1.141 1.00 0.00 C ATOM 812 O TRP A 54 4.687 0.387 -1.039 1.00 0.00 O ATOM 813 CB TRP A 54 3.086 -1.358 -3.034 1.00 0.00 C ATOM 814 CG TRP A 54 2.232 -1.723 -4.209 1.00 0.00 C ATOM 815 CD1 TRP A 54 2.585 -1.651 -5.515 1.00 0.00 C ATOM 816 CD2 TRP A 54 0.853 -2.192 -4.187 1.00 0.00 C ATOM 817 NE1 TRP A 54 1.543 -2.126 -6.295 1.00 0.00 N ATOM 818 CE2 TRP A 54 0.440 -2.435 -5.527 1.00 0.00 C ATOM 819 CE3 TRP A 54 -0.094 -2.428 -3.169 1.00 0.00 C ATOM 820 CZ2 TRP A 54 -0.847 -2.888 -5.839 1.00 0.00 C ATOM 821 CZ3 TRP A 54 -1.393 -2.883 -3.469 1.00 0.00 C ATOM 822 CH2 TRP A 54 -1.772 -3.104 -4.805 1.00 0.00 C ATOM 0 H TRP A 54 4.290 0.739 -3.842 1.00 0.00 H new ATOM 0 HA TRP A 54 1.765 0.188 -2.437 1.00 0.00 H new ATOM 0 HB2 TRP A 54 4.135 -1.457 -3.314 1.00 0.00 H new ATOM 0 HB3 TRP A 54 2.902 -2.069 -2.228 1.00 0.00 H new ATOM 0 HD1 TRP A 54 3.529 -1.282 -5.889 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.586 -2.233 -7.308 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.182 -2.257 -2.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.126 -3.070 -6.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.099 -3.062 -2.672 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.773 -3.439 -5.035 1.00 0.00 H new ATOM 833 N THR A 55 2.656 0.274 -0.090 1.00 0.00 N ATOM 834 CA THR A 55 3.116 0.512 1.269 1.00 0.00 C ATOM 835 C THR A 55 2.473 -0.510 2.205 1.00 0.00 C ATOM 836 O THR A 55 1.466 -1.138 1.860 1.00 0.00 O ATOM 837 CB THR A 55 2.796 1.961 1.670 1.00 0.00 C ATOM 838 OG1 THR A 55 1.414 2.203 1.641 1.00 0.00 O ATOM 839 CG2 THR A 55 3.349 3.012 0.734 1.00 0.00 C ATOM 0 H THR A 55 1.650 0.118 -0.160 1.00 0.00 H new ATOM 0 HA THR A 55 4.196 0.386 1.339 1.00 0.00 H new ATOM 0 HB THR A 55 3.247 2.044 2.659 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.239 3.131 1.902 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.074 4.003 1.096 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.435 2.929 0.694 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.937 2.863 -0.264 1.00 0.00 H new ATOM 847 N TYR A 56 3.067 -0.708 3.382 1.00 0.00 N ATOM 848 CA TYR A 56 2.502 -1.544 4.430 1.00 0.00 C ATOM 849 C TYR A 56 1.612 -0.635 5.280 1.00 0.00 C ATOM 850 O TYR A 56 2.106 0.334 5.862 1.00 0.00 O ATOM 851 CB TYR A 56 3.644 -2.186 5.240 1.00 0.00 C ATOM 852 CG TYR A 56 3.386 -3.546 5.877 1.00 0.00 C ATOM 853 CD1 TYR A 56 2.096 -4.107 6.009 1.00 0.00 C ATOM 854 CD2 TYR A 56 4.504 -4.293 6.296 1.00 0.00 C ATOM 855 CE1 TYR A 56 1.935 -5.384 6.583 1.00 0.00 C ATOM 856 CE2 TYR A 56 4.351 -5.583 6.829 1.00 0.00 C ATOM 857 CZ TYR A 56 3.061 -6.129 6.991 1.00 0.00 C ATOM 858 OH TYR A 56 2.907 -7.359 7.545 1.00 0.00 O ATOM 0 H TYR A 56 3.962 -0.287 3.633 1.00 0.00 H new ATOM 0 HA TYR A 56 1.903 -2.365 4.036 1.00 0.00 H new ATOM 0 HB2 TYR A 56 4.508 -2.283 4.582 1.00 0.00 H new ATOM 0 HB3 TYR A 56 3.923 -1.492 6.033 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.231 -3.556 5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 56 5.493 -3.868 6.206 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.944 -5.794 6.711 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.220 -6.156 7.115 1.00 0.00 H new ATOM 0 HH TYR A 56 3.786 -7.731 7.766 1.00 0.00 H new ATOM 868 N MET A 57 0.301 -0.870 5.292 1.00 0.00 N ATOM 869 CA MET A 57 -0.660 -0.219 6.184 1.00 0.00 C ATOM 870 C MET A 57 -0.787 -1.065 7.462 1.00 0.00 C ATOM 871 O MET A 57 0.171 -1.744 7.841 1.00 0.00 O ATOM 872 CB MET A 57 -1.994 0.069 5.465 1.00 0.00 C ATOM 873 CG MET A 57 -2.790 -1.203 5.197 1.00 0.00 C ATOM 874 SD MET A 57 -4.474 -1.213 5.835 1.00 0.00 S ATOM 875 CE MET A 57 -5.409 -1.390 4.292 1.00 0.00 C ATOM 0 H MET A 57 -0.137 -1.541 4.661 1.00 0.00 H new ATOM 0 HA MET A 57 -0.305 0.767 6.482 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.592 0.749 6.072 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.794 0.576 4.521 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.827 -1.367 4.120 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.251 -2.046 5.630 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.361 -1.878 4.498 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.592 -0.405 3.862 1.00 0.00 H new ATOM 0 HE3 MET A 57 -4.837 -1.993 3.587 1.00 0.00 H new ATOM 885 N GLY A 58 -1.947 -0.989 8.125 1.00 0.00 N ATOM 886 CA GLY A 58 -2.482 -1.833 9.184 1.00 0.00 C ATOM 887 C GLY A 58 -2.507 -3.327 8.877 1.00 0.00 C ATOM 888 O GLY A 58 -3.552 -3.964 8.993 1.00 0.00 O ATOM 0 H GLY A 58 -2.606 -0.244 7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.891 -1.674 10.086 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.498 -1.508 9.407 1.00 0.00 H new ATOM 892 N GLY A 59 -1.375 -3.897 8.477 1.00 0.00 N ATOM 893 CA GLY A 59 -1.244 -5.316 8.216 1.00 0.00 C ATOM 894 C GLY A 59 -1.691 -5.727 6.818 1.00 0.00 C ATOM 895 O GLY A 59 -1.641 -6.911 6.491 1.00 0.00 O ATOM 0 H GLY A 59 -0.513 -3.373 8.324 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.203 -5.607 8.355 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.830 -5.867 8.952 1.00 0.00 H new ATOM 899 N ASN A 60 -2.074 -4.769 5.981 1.00 0.00 N ATOM 900 CA ASN A 60 -2.454 -4.978 4.592 1.00 0.00 C ATOM 901 C ASN A 60 -1.523 -4.131 3.727 1.00 0.00 C ATOM 902 O ASN A 60 -0.847 -3.229 4.230 1.00 0.00 O ATOM 903 CB ASN A 60 -3.910 -4.572 4.359 1.00 0.00 C ATOM 904 CG ASN A 60 -4.890 -5.060 5.419 1.00 0.00 C ATOM 905 OD1 ASN A 60 -5.348 -6.190 5.365 1.00 0.00 O ATOM 906 ND2 ASN A 60 -5.217 -4.217 6.390 1.00 0.00 N ATOM 0 H ASN A 60 -2.130 -3.790 6.263 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.365 -6.033 4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.965 -3.485 4.308 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.227 -4.953 3.389 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.868 -4.507 7.119 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.817 -3.279 6.407 1.00 0.00 H new ATOM 913 N TYR A 61 -1.505 -4.368 2.422 1.00 0.00 N ATOM 914 CA TYR A 61 -0.651 -3.657 1.492 1.00 0.00 C ATOM 915 C TYR A 61 -1.528 -2.740 0.662 1.00 0.00 C ATOM 916 O TYR A 61 -2.447 -3.213 -0.014 1.00 0.00 O ATOM 917 CB TYR A 61 0.094 -4.646 0.599 1.00 0.00 C ATOM 918 CG TYR A 61 1.118 -5.472 1.343 1.00 0.00 C ATOM 919 CD1 TYR A 61 2.249 -4.851 1.897 1.00 0.00 C ATOM 920 CD2 TYR A 61 0.936 -6.855 1.506 1.00 0.00 C ATOM 921 CE1 TYR A 61 3.236 -5.614 2.545 1.00 0.00 C ATOM 922 CE2 TYR A 61 1.930 -7.628 2.129 1.00 0.00 C ATOM 923 CZ TYR A 61 3.092 -7.013 2.654 1.00 0.00 C ATOM 924 OH TYR A 61 4.074 -7.730 3.266 1.00 0.00 O ATOM 0 H TYR A 61 -2.094 -5.072 1.977 1.00 0.00 H new ATOM 0 HA TYR A 61 0.095 -3.072 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -0.627 -5.313 0.128 1.00 0.00 H new ATOM 0 HB3 TYR A 61 0.592 -4.098 -0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.361 -3.779 1.825 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.030 -7.325 1.152 1.00 0.00 H new ATOM 0 HE1 TYR A 61 4.106 -5.128 2.960 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.807 -8.698 2.208 1.00 0.00 H new ATOM 0 HH TYR A 61 4.458 -8.368 2.629 1.00 0.00 H new ATOM 934 N VAL A 62 -1.276 -1.435 0.705 1.00 0.00 N ATOM 935 CA VAL A 62 -2.109 -0.481 -0.007 1.00 0.00 C ATOM 936 C VAL A 62 -1.298 0.130 -1.138 1.00 0.00 C ATOM 937 O VAL A 62 -0.069 0.152 -1.079 1.00 0.00 O ATOM 938 CB VAL A 62 -2.658 0.555 0.980 1.00 0.00 C ATOM 939 CG1 VAL A 62 -3.612 -0.082 1.987 1.00 0.00 C ATOM 940 CG2 VAL A 62 -1.550 1.303 1.717 1.00 0.00 C ATOM 0 H VAL A 62 -0.503 -1.018 1.225 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.974 -0.968 -0.458 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.209 1.280 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.982 0.682 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.452 -0.533 1.458 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.085 -0.851 2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.993 2.025 2.404 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.943 0.593 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.922 1.826 0.996 1.00 0.00 H new ATOM 950 N LEU A 63 -1.985 0.615 -2.167 1.00 0.00 N ATOM 951 CA LEU A 63 -1.395 1.332 -3.289 1.00 0.00 C ATOM 952 C LEU A 63 -1.851 2.780 -3.199 1.00 0.00 C ATOM 953 O LEU A 63 -3.056 3.042 -3.214 1.00 0.00 O ATOM 954 CB LEU A 63 -1.811 0.668 -4.603 1.00 0.00 C ATOM 955 CG LEU A 63 -1.244 1.344 -5.863 1.00 0.00 C ATOM 956 CD1 LEU A 63 0.287 1.354 -5.876 1.00 0.00 C ATOM 957 CD2 LEU A 63 -1.767 0.631 -7.115 1.00 0.00 C ATOM 0 H LEU A 63 -2.997 0.516 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.306 1.303 -3.256 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.489 -0.373 -4.588 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.899 0.664 -4.666 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.579 2.381 -5.856 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.640 1.841 -6.785 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.655 1.898 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.658 0.329 -5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.362 1.114 -8.004 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.456 -0.413 -7.096 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.855 0.685 -7.136 1.00 0.00 H new ATOM 969 N ILE A 64 -0.904 3.700 -3.056 1.00 0.00 N ATOM 970 CA ILE A 64 -1.111 5.129 -2.835 1.00 0.00 C ATOM 971 C ILE A 64 -0.535 5.907 -4.016 1.00 0.00 C ATOM 972 O ILE A 64 0.502 5.504 -4.539 1.00 0.00 O ATOM 973 CB ILE A 64 -0.425 5.545 -1.515 1.00 0.00 C ATOM 974 CG1 ILE A 64 1.044 5.074 -1.387 1.00 0.00 C ATOM 975 CG2 ILE A 64 -1.235 5.006 -0.329 1.00 0.00 C ATOM 976 CD1 ILE A 64 1.897 6.048 -0.577 1.00 0.00 C ATOM 0 H ILE A 64 0.086 3.456 -3.093 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.176 5.350 -2.757 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.398 6.635 -1.517 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.068 4.093 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.474 4.959 -2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.753 5.298 0.604 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.244 5.417 -0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.285 3.919 -0.386 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.919 5.673 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.897 7.023 -1.064 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.485 6.144 0.428 1.00 0.00 H new ATOM 988 N THR A 65 -1.134 7.025 -4.437 1.00 0.00 N ATOM 989 CA THR A 65 -0.433 7.917 -5.359 1.00 0.00 C ATOM 990 C THR A 65 0.737 8.537 -4.604 1.00 0.00 C ATOM 991 O THR A 65 0.585 8.928 -3.450 1.00 0.00 O ATOM 992 CB THR A 65 -1.350 9.015 -5.928 1.00 0.00 C ATOM 993 OG1 THR A 65 -2.513 9.210 -5.154 1.00 0.00 O ATOM 994 CG2 THR A 65 -1.813 8.686 -7.337 1.00 0.00 C ATOM 0 H THR A 65 -2.070 7.325 -4.165 1.00 0.00 H new ATOM 0 HA THR A 65 -0.085 7.340 -6.216 1.00 0.00 H new ATOM 0 HB THR A 65 -0.741 9.919 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.244 9.513 -5.732 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.458 9.484 -7.704 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.947 8.590 -7.991 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.367 7.747 -7.328 1.00 0.00 H new ATOM 1002 N ASP A 66 1.882 8.699 -5.259 1.00 0.00 N ATOM 1003 CA ASP A 66 3.046 9.340 -4.642 1.00 0.00 C ATOM 1004 C ASP A 66 2.869 10.858 -4.498 1.00 0.00 C ATOM 1005 O ASP A 66 3.688 11.553 -3.901 1.00 0.00 O ATOM 1006 CB ASP A 66 4.266 9.037 -5.504 1.00 0.00 C ATOM 1007 CG ASP A 66 5.553 9.434 -4.788 1.00 0.00 C ATOM 1008 OD1 ASP A 66 5.778 8.956 -3.652 1.00 0.00 O ATOM 1009 OD2 ASP A 66 6.358 10.186 -5.388 1.00 0.00 O ATOM 0 H ASP A 66 2.032 8.395 -6.221 1.00 0.00 H new ATOM 0 HA ASP A 66 3.169 8.942 -3.635 1.00 0.00 H new ATOM 0 HB2 ASP A 66 4.292 7.974 -5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 66 4.191 9.575 -6.449 1.00 0.00 H new ATOM 1014 N THR A 67 1.788 11.381 -5.064 1.00 0.00 N ATOM 1015 CA THR A 67 1.562 12.787 -5.359 1.00 0.00 C ATOM 1016 C THR A 67 0.126 13.195 -4.957 1.00 0.00 C ATOM 1017 O THR A 67 -0.440 14.136 -5.508 1.00 0.00 O ATOM 1018 CB THR A 67 1.971 12.978 -6.837 1.00 0.00 C ATOM 1019 OG1 THR A 67 1.991 14.324 -7.247 1.00 0.00 O ATOM 1020 CG2 THR A 67 1.140 12.157 -7.825 1.00 0.00 C ATOM 0 H THR A 67 1.000 10.798 -5.345 1.00 0.00 H new ATOM 0 HA THR A 67 2.168 13.477 -4.771 1.00 0.00 H new ATOM 0 HB THR A 67 2.992 12.597 -6.862 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.235 14.800 -6.845 1.00 0.00 H new ATOM 0 HG21 THR A 67 1.489 12.347 -8.840 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.247 11.096 -7.597 1.00 0.00 H new ATOM 0 HG23 THR A 67 0.091 12.442 -7.743 1.00 0.00 H new ATOM 1028 N GLU A 68 -0.494 12.453 -4.024 1.00 0.00 N ATOM 1029 CA GLU A 68 -1.821 12.720 -3.451 1.00 0.00 C ATOM 1030 C GLU A 68 -2.081 11.735 -2.293 1.00 0.00 C ATOM 1031 O GLU A 68 -2.658 12.097 -1.263 1.00 0.00 O ATOM 1032 CB GLU A 68 -2.885 12.584 -4.565 1.00 0.00 C ATOM 1033 CG GLU A 68 -4.350 12.527 -4.130 1.00 0.00 C ATOM 1034 CD GLU A 68 -4.951 13.906 -3.856 1.00 0.00 C ATOM 1035 OE1 GLU A 68 -4.425 14.627 -2.974 1.00 0.00 O ATOM 1036 OE2 GLU A 68 -5.954 14.249 -4.529 1.00 0.00 O ATOM 0 H GLU A 68 -0.064 11.615 -3.633 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.873 13.732 -3.050 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.768 13.425 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.666 11.680 -5.133 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.934 12.031 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.432 11.917 -3.230 1.00 0.00 H new ATOM 1043 N GLY A 69 -1.643 10.482 -2.453 1.00 0.00 N ATOM 1044 CA GLY A 69 -1.877 9.387 -1.522 1.00 0.00 C ATOM 1045 C GLY A 69 -3.300 8.851 -1.572 1.00 0.00 C ATOM 1046 O GLY A 69 -3.796 8.309 -0.585 1.00 0.00 O ATOM 0 H GLY A 69 -1.096 10.198 -3.266 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.182 8.576 -1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.659 9.727 -0.509 1.00 0.00 H new ATOM 1050 N LYS A 70 -3.964 9.009 -2.714 1.00 0.00 N ATOM 1051 CA LYS A 70 -5.284 8.467 -2.981 1.00 0.00 C ATOM 1052 C LYS A 70 -5.204 6.945 -2.981 1.00 0.00 C ATOM 1053 O LYS A 70 -4.204 6.374 -3.417 1.00 0.00 O ATOM 1054 CB LYS A 70 -5.803 9.021 -4.316 1.00 0.00 C ATOM 1055 CG LYS A 70 -7.288 9.422 -4.270 1.00 0.00 C ATOM 1056 CD LYS A 70 -8.193 8.525 -5.121 1.00 0.00 C ATOM 1057 CE LYS A 70 -7.849 8.562 -6.616 1.00 0.00 C ATOM 1058 NZ LYS A 70 -7.944 9.922 -7.188 1.00 0.00 N ATOM 0 H LYS A 70 -3.582 9.535 -3.500 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.990 8.766 -2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.207 9.889 -4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.660 8.271 -5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -7.631 9.394 -3.236 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.388 10.452 -4.611 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.116 7.498 -4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.230 8.833 -4.986 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -6.839 8.180 -6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.522 7.897 -7.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.819 9.874 -8.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -8.878 10.326 -6.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.202 10.524 -6.777 1.00 0.00 H new ATOM 1072 N ILE A 71 -6.248 6.302 -2.481 1.00 0.00 N ATOM 1073 CA ILE A 71 -6.310 4.887 -2.175 1.00 0.00 C ATOM 1074 C ILE A 71 -6.709 4.161 -3.449 1.00 0.00 C ATOM 1075 O ILE A 71 -7.893 4.035 -3.767 1.00 0.00 O ATOM 1076 CB ILE A 71 -7.227 4.665 -0.946 1.00 0.00 C ATOM 1077 CG1 ILE A 71 -6.566 5.368 0.260 1.00 0.00 C ATOM 1078 CG2 ILE A 71 -7.450 3.176 -0.625 1.00 0.00 C ATOM 1079 CD1 ILE A 71 -7.363 5.315 1.557 1.00 0.00 C ATOM 0 H ILE A 71 -7.122 6.783 -2.267 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.351 4.467 -1.872 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.211 5.080 -1.166 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.589 4.916 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.392 6.412 0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.100 3.085 0.245 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -7.916 2.685 -1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.492 2.702 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.815 5.836 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -8.330 5.795 1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.515 4.276 1.849 1.00 0.00 H new ATOM 1091 N LEU A 72 -5.698 3.751 -4.218 1.00 0.00 N ATOM 1092 CA LEU A 72 -5.889 3.200 -5.552 1.00 0.00 C ATOM 1093 C LEU A 72 -6.327 1.736 -5.473 1.00 0.00 C ATOM 1094 O LEU A 72 -7.274 1.333 -6.153 1.00 0.00 O ATOM 1095 CB LEU A 72 -4.612 3.331 -6.406 1.00 0.00 C ATOM 1096 CG LEU A 72 -3.947 4.722 -6.442 1.00 0.00 C ATOM 1097 CD1 LEU A 72 -2.831 4.736 -7.492 1.00 0.00 C ATOM 1098 CD2 LEU A 72 -4.928 5.859 -6.757 1.00 0.00 C ATOM 0 H LEU A 72 -4.721 3.794 -3.927 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.677 3.777 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.880 2.613 -6.037 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -4.855 3.042 -7.429 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.552 4.897 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.364 5.721 -7.514 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.083 3.985 -7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.251 4.512 -8.473 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.393 6.809 -6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.382 5.688 -7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.707 5.889 -5.995 1.00 0.00 H new ATOM 1110 N LYS A 73 -5.637 0.918 -4.673 1.00 0.00 N ATOM 1111 CA LYS A 73 -5.925 -0.503 -4.457 1.00 0.00 C ATOM 1112 C LYS A 73 -5.570 -0.842 -3.018 1.00 0.00 C ATOM 1113 O LYS A 73 -4.757 -0.135 -2.414 1.00 0.00 O ATOM 1114 CB LYS A 73 -5.067 -1.413 -5.354 1.00 0.00 C ATOM 1115 CG LYS A 73 -5.288 -1.278 -6.864 1.00 0.00 C ATOM 1116 CD LYS A 73 -4.336 -2.253 -7.575 1.00 0.00 C ATOM 1117 CE LYS A 73 -4.500 -2.244 -9.093 1.00 0.00 C ATOM 1118 NZ LYS A 73 -4.038 -0.983 -9.710 1.00 0.00 N ATOM 0 H LYS A 73 -4.831 1.240 -4.137 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.977 -0.668 -4.688 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.017 -1.211 -5.142 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.256 -2.449 -5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.324 -1.503 -7.119 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.096 -0.255 -7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.307 -1.996 -7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -4.512 -3.262 -7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.942 -3.078 -9.519 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.549 -2.402 -9.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -4.219 -1.011 -10.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.551 -0.182 -9.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.018 -0.867 -9.542 1.00 0.00 H new ATOM 1132 N VAL A 74 -6.074 -1.970 -2.529 1.00 0.00 N ATOM 1133 CA VAL A 74 -5.640 -2.609 -1.300 1.00 0.00 C ATOM 1134 C VAL A 74 -5.640 -4.113 -1.576 1.00 0.00 C ATOM 1135 O VAL A 74 -6.543 -4.601 -2.261 1.00 0.00 O ATOM 1136 CB VAL A 74 -6.598 -2.244 -0.146 1.00 0.00 C ATOM 1137 CG1 VAL A 74 -6.098 -2.820 1.184 1.00 0.00 C ATOM 1138 CG2 VAL A 74 -6.805 -0.723 -0.011 1.00 0.00 C ATOM 0 H VAL A 74 -6.823 -2.480 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.647 -2.277 -0.998 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.562 -2.689 -0.392 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -6.790 -2.549 1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.037 -3.906 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -5.111 -2.415 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.487 -0.520 0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.847 -0.241 0.183 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.228 -0.330 -0.935 1.00 0.00 H new ATOM 1148 N TYR A 75 -4.666 -4.834 -1.023 1.00 0.00 N ATOM 1149 CA TYR A 75 -4.722 -6.283 -0.863 1.00 0.00 C ATOM 1150 C TYR A 75 -4.274 -6.618 0.569 1.00 0.00 C ATOM 1151 O TYR A 75 -3.460 -5.889 1.137 1.00 0.00 O ATOM 1152 CB TYR A 75 -3.842 -6.976 -1.911 1.00 0.00 C ATOM 1153 CG TYR A 75 -4.351 -6.886 -3.344 1.00 0.00 C ATOM 1154 CD1 TYR A 75 -5.422 -7.695 -3.762 1.00 0.00 C ATOM 1155 CD2 TYR A 75 -3.749 -6.017 -4.273 1.00 0.00 C ATOM 1156 CE1 TYR A 75 -5.894 -7.647 -5.081 1.00 0.00 C ATOM 1157 CE2 TYR A 75 -4.235 -5.933 -5.594 1.00 0.00 C ATOM 1158 CZ TYR A 75 -5.326 -6.741 -6.000 1.00 0.00 C ATOM 1159 OH TYR A 75 -5.824 -6.677 -7.268 1.00 0.00 O ATOM 0 H TYR A 75 -3.804 -4.420 -0.669 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.738 -6.647 -1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -2.843 -6.542 -1.869 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.744 -8.028 -1.642 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.889 -8.365 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -2.908 -5.410 -3.972 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.692 -8.304 -5.393 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.776 -5.253 -6.296 1.00 0.00 H new ATOM 0 HH TYR A 75 -5.328 -6.005 -7.781 1.00 0.00 H new ATOM 1169 N ASP A 76 -4.792 -7.690 1.171 1.00 0.00 N ATOM 1170 CA ASP A 76 -4.402 -8.151 2.515 1.00 0.00 C ATOM 1171 C ASP A 76 -2.915 -8.553 2.591 1.00 0.00 C ATOM 1172 O ASP A 76 -2.305 -8.869 1.573 1.00 0.00 O ATOM 1173 CB ASP A 76 -5.292 -9.329 2.931 1.00 0.00 C ATOM 1174 CG ASP A 76 -4.805 -9.951 4.239 1.00 0.00 C ATOM 1175 OD1 ASP A 76 -4.740 -9.253 5.272 1.00 0.00 O ATOM 1176 OD2 ASP A 76 -4.360 -11.114 4.204 1.00 0.00 O ATOM 0 H ASP A 76 -5.506 -8.275 0.736 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.541 -7.318 3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -6.321 -8.988 3.048 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.293 -10.083 2.144 1.00 0.00 H new ATOM 1181 N GLY A 77 -2.323 -8.571 3.792 1.00 0.00 N ATOM 1182 CA GLY A 77 -0.945 -8.972 4.068 1.00 0.00 C ATOM 1183 C GLY A 77 -0.588 -10.389 3.643 1.00 0.00 C ATOM 1184 O GLY A 77 0.585 -10.631 3.364 1.00 0.00 O ATOM 0 H GLY A 77 -2.821 -8.292 4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.273 -8.278 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.761 -8.873 5.138 1.00 0.00 H new ATOM 1188 N GLU A 78 -1.541 -11.314 3.530 1.00 0.00 N ATOM 1189 CA GLU A 78 -1.239 -12.675 3.107 1.00 0.00 C ATOM 1190 C GLU A 78 -0.699 -12.742 1.685 1.00 0.00 C ATOM 1191 O GLU A 78 0.040 -13.668 1.352 1.00 0.00 O ATOM 1192 CB GLU A 78 -2.486 -13.545 3.232 1.00 0.00 C ATOM 1193 CG GLU A 78 -2.714 -13.909 4.698 1.00 0.00 C ATOM 1194 CD GLU A 78 -3.542 -15.172 4.814 1.00 0.00 C ATOM 1195 OE1 GLU A 78 -2.990 -16.269 4.561 1.00 0.00 O ATOM 1196 OE2 GLU A 78 -4.704 -15.069 5.259 1.00 0.00 O ATOM 0 H GLU A 78 -2.527 -11.143 3.726 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.455 -13.050 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.353 -13.013 2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.371 -14.450 2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.755 -14.050 5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.220 -13.089 5.207 1.00 0.00 H new ATOM 1203 N ILE A 79 -0.950 -11.725 0.859 1.00 0.00 N ATOM 1204 CA ILE A 79 -0.351 -11.622 -0.457 1.00 0.00 C ATOM 1205 C ILE A 79 1.175 -11.382 -0.370 1.00 0.00 C ATOM 1206 O ILE A 79 1.829 -11.263 -1.403 1.00 0.00 O ATOM 1207 CB ILE A 79 -1.125 -10.547 -1.240 1.00 0.00 C ATOM 1208 CG1 ILE A 79 -1.020 -10.783 -2.754 1.00 0.00 C ATOM 1209 CG2 ILE A 79 -0.604 -9.156 -0.852 1.00 0.00 C ATOM 1210 CD1 ILE A 79 -2.018 -9.932 -3.539 1.00 0.00 C ATOM 0 H ILE A 79 -1.575 -10.953 1.091 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.435 -12.561 -1.003 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.182 -10.609 -0.980 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.008 -10.553 -3.087 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.195 -11.837 -2.969 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.152 -8.394 -1.407 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.747 -8.999 0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.457 -9.085 -1.091 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.907 -10.132 -4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.032 -10.180 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.827 -8.876 -3.346 1.00 0.00 H new ATOM 1222 N PHE A 80 1.774 -11.309 0.821 1.00 0.00 N ATOM 1223 CA PHE A 80 3.209 -11.451 1.004 1.00 0.00 C ATOM 1224 C PHE A 80 3.668 -12.874 0.659 1.00 0.00 C ATOM 1225 O PHE A 80 4.712 -13.035 0.030 1.00 0.00 O ATOM 1226 CB PHE A 80 3.560 -11.139 2.463 1.00 0.00 C ATOM 1227 CG PHE A 80 5.039 -11.228 2.783 1.00 0.00 C ATOM 1228 CD1 PHE A 80 5.964 -10.366 2.165 1.00 0.00 C ATOM 1229 CD2 PHE A 80 5.496 -12.191 3.698 1.00 0.00 C ATOM 1230 CE1 PHE A 80 7.333 -10.467 2.474 1.00 0.00 C ATOM 1231 CE2 PHE A 80 6.860 -12.282 4.010 1.00 0.00 C ATOM 1232 CZ PHE A 80 7.780 -11.415 3.406 1.00 0.00 C ATOM 0 H PHE A 80 1.266 -11.148 1.690 1.00 0.00 H new ATOM 0 HA PHE A 80 3.719 -10.756 0.337 1.00 0.00 H new ATOM 0 HB2 PHE A 80 3.209 -10.135 2.702 1.00 0.00 H new ATOM 0 HB3 PHE A 80 3.018 -11.829 3.110 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.623 -9.628 1.454 1.00 0.00 H new ATOM 0 HD2 PHE A 80 4.793 -12.865 4.164 1.00 0.00 H new ATOM 0 HE1 PHE A 80 8.043 -9.812 1.991 1.00 0.00 H new ATOM 0 HE2 PHE A 80 7.202 -13.022 4.718 1.00 0.00 H new ATOM 0 HZ PHE A 80 8.829 -11.476 3.657 1.00 0.00 H new ATOM 1242 N TYR A 81 2.906 -13.895 1.068 1.00 0.00 N ATOM 1243 CA TYR A 81 3.371 -15.279 1.193 1.00 0.00 C ATOM 1244 C TYR A 81 2.422 -16.288 0.534 1.00 0.00 C ATOM 1245 O TYR A 81 2.486 -17.484 0.803 1.00 0.00 O ATOM 1246 CB TYR A 81 3.641 -15.583 2.675 1.00 0.00 C ATOM 1247 CG TYR A 81 2.436 -15.788 3.585 1.00 0.00 C ATOM 1248 CD1 TYR A 81 1.889 -17.078 3.717 1.00 0.00 C ATOM 1249 CD2 TYR A 81 1.885 -14.727 4.335 1.00 0.00 C ATOM 1250 CE1 TYR A 81 0.772 -17.305 4.532 1.00 0.00 C ATOM 1251 CE2 TYR A 81 0.809 -14.965 5.212 1.00 0.00 C ATOM 1252 CZ TYR A 81 0.227 -16.252 5.282 1.00 0.00 C ATOM 1253 OH TYR A 81 -0.871 -16.502 6.044 1.00 0.00 O ATOM 0 H TYR A 81 1.926 -13.778 1.327 1.00 0.00 H new ATOM 0 HA TYR A 81 4.305 -15.388 0.641 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.257 -16.480 2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 81 4.234 -14.765 3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.336 -17.904 3.183 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.289 -13.730 4.236 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.331 -18.290 4.583 1.00 0.00 H new ATOM 0 HE2 TYR A 81 0.429 -14.165 5.830 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.609 -16.793 5.469 1.00 0.00 H new ATOM 1263 N HIS A 82 1.535 -15.794 -0.329 1.00 0.00 N ATOM 1264 CA HIS A 82 0.467 -16.519 -0.991 1.00 0.00 C ATOM 1265 C HIS A 82 1.070 -17.751 -1.640 1.00 0.00 C ATOM 1266 O HIS A 82 2.111 -17.687 -2.304 1.00 0.00 O ATOM 1267 CB HIS A 82 -0.178 -15.575 -2.009 1.00 0.00 C ATOM 1268 CG HIS A 82 -1.171 -16.100 -3.022 1.00 0.00 C ATOM 1269 ND1 HIS A 82 -1.847 -17.301 -3.079 1.00 0.00 N ATOM 1270 CD2 HIS A 82 -1.584 -15.369 -4.097 1.00 0.00 C ATOM 1271 CE1 HIS A 82 -2.640 -17.281 -4.162 1.00 0.00 C ATOM 1272 NE2 HIS A 82 -2.506 -16.120 -4.829 1.00 0.00 N ATOM 0 H HIS A 82 1.550 -14.810 -0.598 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.307 -16.850 -0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -0.679 -14.788 -1.445 1.00 0.00 H new ATOM 0 HB3 HIS A 82 0.631 -15.102 -2.566 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -1.252 -14.371 -4.342 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -3.296 -18.087 -4.458 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -2.979 -15.846 -5.690 1.00 0.00 H new ATOM 1280 N ARG A 83 0.403 -18.873 -1.430 1.00 0.00 N ATOM 1281 CA ARG A 83 0.635 -20.104 -2.146 1.00 0.00 C ATOM 1282 C ARG A 83 -0.691 -20.451 -2.775 1.00 0.00 C ATOM 1283 O ARG A 83 -0.707 -21.244 -3.731 1.00 0.00 O ATOM 1284 CB ARG A 83 1.084 -21.233 -1.210 1.00 0.00 C ATOM 1285 CG ARG A 83 2.432 -20.972 -0.519 1.00 0.00 C ATOM 1286 CD ARG A 83 2.769 -22.094 0.469 1.00 0.00 C ATOM 1287 NE ARG A 83 1.782 -22.129 1.556 1.00 0.00 N ATOM 1288 CZ ARG A 83 1.478 -23.152 2.356 1.00 0.00 C ATOM 1289 NH1 ARG A 83 2.168 -24.285 2.336 1.00 0.00 N ATOM 1290 NH2 ARG A 83 0.455 -23.030 3.188 1.00 0.00 N ATOM 0 H ARG A 83 -0.338 -18.949 -0.733 1.00 0.00 H new ATOM 0 HA ARG A 83 1.431 -19.984 -2.881 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.320 -21.385 -0.448 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.153 -22.159 -1.781 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.220 -20.894 -1.268 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.396 -20.018 0.007 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.783 -23.053 -0.050 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.767 -21.939 0.879 1.00 0.00 H new ATOM 0 HE ARG A 83 1.266 -21.265 1.719 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.955 -24.391 1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.911 -25.050 2.960 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.085 -22.165 3.209 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.207 -23.801 3.808 1.00 0.00 H new TER 1304 ARG A 83