USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 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 46 HIS : no HD1:sc= -3.25! K(o=-3.2!,f=-1.3) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0477 X(o=-0.048,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.275 K(o=-0.27,f=-3.2!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.377 K(o=-0.38,f=-2.9!) USER MOD Single : A 37 TYR OH : rot 87:sc= -0.824 USER MOD Single : A 38 GLN : amide:sc= -0.0474 X(o=-0.047,f=-0.17) USER MOD Single : A 39 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.025) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.121 K(o=-0.12,f=-0.93) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.163 (180deg=-0.724) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot -20:sc= -1.95 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 167:sc= 0.0656 (180deg=0.00429) USER MOD Single : A 78 TYR OH : rot 135:sc= 0.702! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -3.480 12.681 3.354 1.00 63.50 N ATOM 2 CA ASN A 10 -2.628 11.581 2.917 1.00 74.30 C ATOM 3 C ASN A 10 -3.085 10.262 3.530 1.00 70.40 C ATOM 4 O ASN A 10 -2.985 9.207 2.904 1.00 0.35 O ATOM 5 CB ASN A 10 -1.172 11.855 3.294 1.00 54.40 C ATOM 6 CG ASN A 10 -0.617 13.085 2.602 1.00 72.20 C ATOM 7 OD1 ASN A 10 -0.411 13.089 1.389 1.00 2.31 O ATOM 8 ND2 ASN A 10 -0.371 14.138 3.374 1.00 21.40 N ATOM 0 HA ASN A 10 -2.706 11.503 1.833 1.00 74.30 H new ATOM 0 HB2 ASN A 10 -1.097 11.984 4.374 1.00 54.40 H new ATOM 0 HB3 ASN A 10 -0.563 10.989 3.034 1.00 54.40 H new ATOM 0 HD21 ASN A 10 0.004 14.994 2.965 1.00 21.40 H new ATOM 0 HD22 ASN A 10 -0.557 14.090 4.376 1.00 21.40 H new ATOM 15 N LEU A 11 -3.586 10.329 4.760 1.00 3.20 N ATOM 16 CA LEU A 11 -4.059 9.139 5.458 1.00 65.20 C ATOM 17 C LEU A 11 -5.292 8.559 4.773 1.00 22.20 C ATOM 18 O LEU A 11 -5.371 7.355 4.531 1.00 44.30 O ATOM 19 CB LEU A 11 -4.381 9.473 6.916 1.00 52.40 C ATOM 20 CG LEU A 11 -4.790 8.278 7.779 1.00 23.40 C ATOM 21 CD1 LEU A 11 -3.564 7.614 8.387 1.00 64.30 C ATOM 22 CD2 LEU A 11 -5.757 8.715 8.869 1.00 24.10 C ATOM 0 H LEU A 11 -3.675 11.194 5.293 1.00 3.20 H new ATOM 0 HA LEU A 11 -3.266 8.392 5.429 1.00 65.20 H new ATOM 0 HB2 LEU A 11 -3.508 9.945 7.366 1.00 52.40 H new ATOM 0 HB3 LEU A 11 -5.186 10.208 6.935 1.00 52.40 H new ATOM 0 HG LEU A 11 -5.294 7.550 7.143 1.00 23.40 H new ATOM 0 HD11 LEU A 11 -3.875 6.766 8.998 1.00 64.30 H new ATOM 0 HD12 LEU A 11 -2.906 7.266 7.591 1.00 64.30 H new ATOM 0 HD13 LEU A 11 -3.032 8.333 9.009 1.00 64.30 H new ATOM 0 HD21 LEU A 11 -6.038 7.853 9.474 1.00 24.10 H new ATOM 0 HD22 LEU A 11 -5.278 9.462 9.502 1.00 24.10 H new ATOM 0 HD23 LEU A 11 -6.649 9.144 8.413 1.00 24.10 H new ATOM 34 N GLN A 12 -6.252 9.424 4.463 1.00 44.30 N ATOM 35 CA GLN A 12 -7.481 8.998 3.805 1.00 51.40 C ATOM 36 C GLN A 12 -7.182 8.360 2.452 1.00 4.30 C ATOM 37 O GLN A 12 -7.875 7.438 2.022 1.00 30.40 O ATOM 38 CB GLN A 12 -8.426 10.187 3.622 1.00 4.41 C ATOM 39 CG GLN A 12 -9.866 9.784 3.351 1.00 23.40 C ATOM 40 CD GLN A 12 -10.650 10.877 2.659 1.00 75.40 C ATOM 41 OE1 GLN A 12 -10.270 11.354 1.590 1.00 51.20 O ATOM 42 NE2 GLN A 12 -11.760 11.281 3.267 1.00 32.00 N ATOM 0 H GLN A 12 -6.202 10.424 4.657 1.00 44.30 H new ATOM 0 HA GLN A 12 -7.963 8.254 4.439 1.00 51.40 H new ATOM 0 HB2 GLN A 12 -8.394 10.807 4.518 1.00 4.41 H new ATOM 0 HB3 GLN A 12 -8.068 10.801 2.796 1.00 4.41 H new ATOM 0 HG2 GLN A 12 -9.879 8.885 2.734 1.00 23.40 H new ATOM 0 HG3 GLN A 12 -10.353 9.532 4.293 1.00 23.40 H new ATOM 0 HE21 GLN A 12 -12.039 10.859 4.153 1.00 32.00 H new ATOM 0 HE22 GLN A 12 -12.333 12.013 2.848 1.00 32.00 H new ATOM 51 N LYS A 13 -6.144 8.856 1.786 1.00 42.40 N ATOM 52 CA LYS A 13 -5.753 8.335 0.482 1.00 4.10 C ATOM 53 C LYS A 13 -5.171 6.931 0.610 1.00 30.20 C ATOM 54 O LYS A 13 -5.310 6.105 -0.292 1.00 53.30 O ATOM 55 CB LYS A 13 -4.732 9.264 -0.177 1.00 34.40 C ATOM 56 CG LYS A 13 -4.314 8.819 -1.569 1.00 14.20 C ATOM 57 CD LYS A 13 -5.442 8.997 -2.572 1.00 72.10 C ATOM 58 CE LYS A 13 -4.909 9.328 -3.957 1.00 55.10 C ATOM 59 NZ LYS A 13 -5.991 9.776 -4.876 1.00 14.00 N ATOM 0 H LYS A 13 -5.559 9.618 2.128 1.00 42.40 H new ATOM 0 HA LYS A 13 -6.644 8.284 -0.143 1.00 4.10 H new ATOM 0 HB2 LYS A 13 -5.152 10.268 -0.236 1.00 34.40 H new ATOM 0 HB3 LYS A 13 -3.847 9.326 0.457 1.00 34.40 H new ATOM 0 HG2 LYS A 13 -3.446 9.394 -1.891 1.00 14.20 H new ATOM 0 HG3 LYS A 13 -4.011 7.772 -1.542 1.00 14.20 H new ATOM 0 HD2 LYS A 13 -6.036 8.085 -2.618 1.00 72.10 H new ATOM 0 HD3 LYS A 13 -6.106 9.794 -2.237 1.00 72.10 H new ATOM 0 HE2 LYS A 13 -4.153 10.109 -3.878 1.00 55.10 H new ATOM 0 HE3 LYS A 13 -4.417 8.450 -4.376 1.00 55.10 H new ATOM 0 HZ1 LYS A 13 -5.586 9.992 -5.809 1.00 14.00 H new ATOM 0 HZ2 LYS A 13 -6.700 9.021 -4.972 1.00 14.00 H new ATOM 0 HZ3 LYS A 13 -6.444 10.629 -4.489 1.00 14.00 H new ATOM 73 N ALA A 14 -4.519 6.667 1.738 1.00 63.00 N ATOM 74 CA ALA A 14 -3.916 5.362 1.985 1.00 1.14 C ATOM 75 C ALA A 14 -4.983 4.306 2.250 1.00 74.40 C ATOM 76 O ALA A 14 -4.876 3.171 1.786 1.00 44.00 O ATOM 77 CB ALA A 14 -2.947 5.442 3.155 1.00 51.50 C ATOM 0 H ALA A 14 -4.395 7.339 2.495 1.00 63.00 H new ATOM 0 HA ALA A 14 -3.366 5.068 1.091 1.00 1.14 H new ATOM 0 HB1 ALA A 14 -2.504 4.461 3.328 1.00 51.50 H new ATOM 0 HB2 ALA A 14 -2.160 6.160 2.927 1.00 51.50 H new ATOM 0 HB3 ALA A 14 -3.482 5.762 4.049 1.00 51.50 H new ATOM 83 N ILE A 15 -6.012 4.687 3.000 1.00 32.30 N ATOM 84 CA ILE A 15 -7.099 3.772 3.328 1.00 35.30 C ATOM 85 C ILE A 15 -8.006 3.544 2.124 1.00 61.20 C ATOM 86 O ILE A 15 -8.429 2.419 1.858 1.00 11.20 O ATOM 87 CB ILE A 15 -7.946 4.302 4.500 1.00 12.20 C ATOM 88 CG1 ILE A 15 -7.043 4.731 5.658 1.00 71.20 C ATOM 89 CG2 ILE A 15 -8.937 3.243 4.959 1.00 10.40 C ATOM 90 CD1 ILE A 15 -7.802 5.281 6.845 1.00 30.30 C ATOM 0 H ILE A 15 -6.116 5.623 3.392 1.00 32.30 H new ATOM 0 HA ILE A 15 -6.640 2.827 3.620 1.00 35.30 H new ATOM 0 HB ILE A 15 -8.506 5.173 4.159 1.00 12.20 H new ATOM 0 HG12 ILE A 15 -6.450 3.876 5.981 1.00 71.20 H new ATOM 0 HG13 ILE A 15 -6.344 5.488 5.302 1.00 71.20 H new ATOM 0 HG21 ILE A 15 -9.528 3.633 5.788 1.00 10.40 H new ATOM 0 HG22 ILE A 15 -9.598 2.981 4.133 1.00 10.40 H new ATOM 0 HG23 ILE A 15 -8.396 2.355 5.286 1.00 10.40 H new ATOM 0 HD11 ILE A 15 -7.098 5.565 7.627 1.00 30.30 H new ATOM 0 HD12 ILE A 15 -8.374 6.156 6.537 1.00 30.30 H new ATOM 0 HD13 ILE A 15 -8.481 4.519 7.227 1.00 30.30 H new ATOM 102 N ASP A 16 -8.300 4.618 1.398 1.00 54.40 N ATOM 103 CA ASP A 16 -9.157 4.534 0.222 1.00 3.40 C ATOM 104 C ASP A 16 -8.554 3.604 -0.826 1.00 73.20 C ATOM 105 O ASP A 16 -9.242 2.748 -1.381 1.00 12.30 O ATOM 106 CB ASP A 16 -9.373 5.925 -0.378 1.00 34.40 C ATOM 107 CG ASP A 16 -10.750 6.086 -0.983 1.00 73.00 C ATOM 108 OD1 ASP A 16 -11.720 6.262 -0.213 1.00 3.44 O ATOM 109 OD2 ASP A 16 -10.860 6.037 -2.225 1.00 21.20 O ATOM 0 H ASP A 16 -7.957 5.556 1.604 1.00 54.40 H new ATOM 0 HA ASP A 16 -10.119 4.126 0.533 1.00 3.40 H new ATOM 0 HB2 ASP A 16 -9.230 6.678 0.397 1.00 34.40 H new ATOM 0 HB3 ASP A 16 -8.619 6.108 -1.144 1.00 34.40 H new ATOM 114 N LEU A 17 -7.263 3.778 -1.091 1.00 74.10 N ATOM 115 CA LEU A 17 -6.567 2.954 -2.072 1.00 23.10 C ATOM 116 C LEU A 17 -6.379 1.532 -1.554 1.00 43.00 C ATOM 117 O LEU A 17 -6.404 0.572 -2.323 1.00 61.10 O ATOM 118 CB LEU A 17 -5.208 3.569 -2.413 1.00 75.10 C ATOM 119 CG LEU A 17 -5.253 4.731 -3.407 1.00 72.10 C ATOM 120 CD1 LEU A 17 -4.146 5.730 -3.111 1.00 42.10 C ATOM 121 CD2 LEU A 17 -5.140 4.214 -4.833 1.00 52.30 C ATOM 0 H LEU A 17 -6.678 4.482 -0.640 1.00 74.10 H new ATOM 0 HA LEU A 17 -7.177 2.914 -2.974 1.00 23.10 H new ATOM 0 HB2 LEU A 17 -4.743 3.918 -1.491 1.00 75.10 H new ATOM 0 HB3 LEU A 17 -4.565 2.788 -2.819 1.00 75.10 H new ATOM 0 HG LEU A 17 -6.211 5.240 -3.300 1.00 72.10 H new ATOM 0 HD11 LEU A 17 -4.194 6.549 -3.828 1.00 42.10 H new ATOM 0 HD12 LEU A 17 -4.271 6.123 -2.102 1.00 42.10 H new ATOM 0 HD13 LEU A 17 -3.178 5.235 -3.190 1.00 42.10 H new ATOM 0 HD21 LEU A 17 -5.174 5.053 -5.528 1.00 52.30 H new ATOM 0 HD22 LEU A 17 -4.197 3.681 -4.953 1.00 52.30 H new ATOM 0 HD23 LEU A 17 -5.968 3.537 -5.041 1.00 52.30 H new ATOM 133 N ALA A 18 -6.191 1.406 -0.244 1.00 34.10 N ATOM 134 CA ALA A 18 -6.000 0.101 0.378 1.00 23.50 C ATOM 135 C ALA A 18 -7.265 -0.745 0.279 1.00 33.20 C ATOM 136 O ALA A 18 -7.200 -1.951 0.043 1.00 74.10 O ATOM 137 CB ALA A 18 -5.584 0.266 1.832 1.00 44.20 C ATOM 0 H ALA A 18 -6.167 2.191 0.407 1.00 34.10 H new ATOM 0 HA ALA A 18 -5.206 -0.418 -0.159 1.00 23.50 H new ATOM 0 HB1 ALA A 18 -5.445 -0.716 2.284 1.00 44.20 H new ATOM 0 HB2 ALA A 18 -4.649 0.824 1.882 1.00 44.20 H new ATOM 0 HB3 ALA A 18 -6.360 0.808 2.373 1.00 44.20 H new ATOM 143 N SER A 19 -8.414 -0.104 0.463 1.00 2.44 N ATOM 144 CA SER A 19 -9.695 -0.798 0.394 1.00 2.33 C ATOM 145 C SER A 19 -9.964 -1.306 -1.018 1.00 4.35 C ATOM 146 O SER A 19 -10.370 -2.451 -1.210 1.00 13.10 O ATOM 147 CB SER A 19 -10.820 0.131 0.839 1.00 62.10 C ATOM 148 OG SER A 19 -11.910 -0.607 1.363 1.00 60.40 O ATOM 0 H SER A 19 -8.485 0.894 0.661 1.00 2.44 H new ATOM 0 HA SER A 19 -9.654 -1.656 1.065 1.00 2.33 H new ATOM 0 HB2 SER A 19 -10.448 0.823 1.595 1.00 62.10 H new ATOM 0 HB3 SER A 19 -11.156 0.732 -0.006 1.00 62.10 H new ATOM 0 HG SER A 19 -12.618 0.010 1.643 1.00 60.40 H new ATOM 154 N LYS A 20 -9.731 -0.446 -2.005 1.00 71.20 N ATOM 155 CA LYS A 20 -9.948 -0.808 -3.401 1.00 60.20 C ATOM 156 C LYS A 20 -8.976 -1.900 -3.837 1.00 2.31 C ATOM 157 O LYS A 20 -9.337 -2.798 -4.597 1.00 71.10 O ATOM 158 CB LYS A 20 -9.790 0.420 -4.298 1.00 43.00 C ATOM 159 CG LYS A 20 -10.990 1.343 -4.285 1.00 73.00 C ATOM 160 CD LYS A 20 -10.580 2.798 -4.444 1.00 62.20 C ATOM 161 CE LYS A 20 -10.210 3.119 -5.883 1.00 34.30 C ATOM 162 NZ LYS A 20 -11.410 3.507 -6.689 1.00 62.40 N ATOM 0 H LYS A 20 -9.392 0.506 -1.864 1.00 71.20 H new ATOM 0 HA LYS A 20 -10.964 -1.191 -3.498 1.00 60.20 H new ATOM 0 HB2 LYS A 20 -8.910 0.979 -3.981 1.00 43.00 H new ATOM 0 HB3 LYS A 20 -9.608 0.090 -5.321 1.00 43.00 H new ATOM 0 HG2 LYS A 20 -11.671 1.066 -5.090 1.00 73.00 H new ATOM 0 HG3 LYS A 20 -11.535 1.218 -3.349 1.00 73.00 H new ATOM 0 HD2 LYS A 20 -11.398 3.444 -4.125 1.00 62.20 H new ATOM 0 HD3 LYS A 20 -9.732 3.011 -3.793 1.00 62.20 H new ATOM 0 HE2 LYS A 20 -9.482 3.931 -5.899 1.00 34.30 H new ATOM 0 HE3 LYS A 20 -9.731 2.252 -6.338 1.00 34.30 H new ATOM 0 HZ1 LYS A 20 -11.119 3.719 -7.665 1.00 62.40 H new ATOM 0 HZ2 LYS A 20 -12.093 2.723 -6.694 1.00 62.40 H new ATOM 0 HZ3 LYS A 20 -11.853 4.349 -6.269 1.00 62.40 H new ATOM 176 N ALA A 21 -7.742 -1.814 -3.352 1.00 72.30 N ATOM 177 CA ALA A 21 -6.718 -2.795 -3.692 1.00 43.40 C ATOM 178 C ALA A 21 -7.085 -4.177 -3.165 1.00 52.10 C ATOM 179 O ALA A 21 -6.981 -5.173 -3.881 1.00 54.50 O ATOM 180 CB ALA A 21 -5.368 -2.360 -3.141 1.00 52.20 C ATOM 0 H ALA A 21 -7.427 -1.076 -2.723 1.00 72.30 H new ATOM 0 HA ALA A 21 -6.654 -2.855 -4.778 1.00 43.40 H new ATOM 0 HB1 ALA A 21 -4.613 -3.101 -3.402 1.00 52.20 H new ATOM 0 HB2 ALA A 21 -5.094 -1.396 -3.569 1.00 52.20 H new ATOM 0 HB3 ALA A 21 -5.429 -2.271 -2.056 1.00 52.20 H new ATOM 186 N ALA A 22 -7.516 -4.231 -1.909 1.00 12.20 N ATOM 187 CA ALA A 22 -7.899 -5.492 -1.286 1.00 41.10 C ATOM 188 C ALA A 22 -9.098 -6.113 -1.995 1.00 74.40 C ATOM 189 O ALA A 22 -9.235 -7.335 -2.050 1.00 20.20 O ATOM 190 CB ALA A 22 -8.208 -5.279 0.188 1.00 71.10 C ATOM 0 H ALA A 22 -7.609 -3.416 -1.303 1.00 12.20 H new ATOM 0 HA ALA A 22 -7.060 -6.182 -1.375 1.00 41.10 H new ATOM 0 HB1 ALA A 22 -8.493 -6.229 0.641 1.00 71.10 H new ATOM 0 HB2 ALA A 22 -7.325 -4.887 0.692 1.00 71.10 H new ATOM 0 HB3 ALA A 22 -9.029 -4.569 0.289 1.00 71.10 H new ATOM 196 N GLN A 23 -9.963 -5.262 -2.538 1.00 54.30 N ATOM 197 CA GLN A 23 -11.150 -5.727 -3.245 1.00 23.10 C ATOM 198 C GLN A 23 -10.800 -6.155 -4.667 1.00 30.20 C ATOM 199 O GLN A 23 -11.390 -7.092 -5.205 1.00 13.20 O ATOM 200 CB GLN A 23 -12.210 -4.629 -3.274 1.00 24.20 C ATOM 201 CG GLN A 23 -13.100 -4.609 -2.041 1.00 55.20 C ATOM 202 CD GLN A 23 -14.440 -3.960 -2.302 1.00 22.00 C ATOM 203 OE1 GLN A 23 -15.480 -4.477 -1.896 1.00 25.20 O ATOM 204 NE2 GLN A 23 -14.430 -2.821 -2.984 1.00 62.40 N ATOM 0 H GLN A 23 -9.864 -4.247 -2.502 1.00 54.30 H new ATOM 0 HA GLN A 23 -11.548 -6.591 -2.713 1.00 23.10 H new ATOM 0 HB2 GLN A 23 -11.717 -3.662 -3.371 1.00 24.20 H new ATOM 0 HB3 GLN A 23 -12.833 -4.760 -4.159 1.00 24.20 H new ATOM 0 HG2 GLN A 23 -13.257 -5.630 -1.694 1.00 55.20 H new ATOM 0 HG3 GLN A 23 -12.591 -4.074 -1.239 1.00 55.20 H new ATOM 0 HE21 GLN A 23 -13.546 -2.425 -3.303 1.00 62.40 H new ATOM 0 HE22 GLN A 23 -15.307 -2.342 -3.189 1.00 62.40 H new ATOM 213 N GLU A 24 -9.845 -5.461 -5.271 1.00 65.40 N ATOM 214 CA GLU A 24 -9.421 -5.769 -6.632 1.00 31.30 C ATOM 215 C GLU A 24 -8.781 -7.152 -6.703 1.00 33.20 C ATOM 216 O GLU A 24 -9.110 -7.955 -7.576 1.00 50.10 O ATOM 217 CB GLU A 24 -8.434 -4.712 -7.132 1.00 3.53 C ATOM 218 CG GLU A 24 -9.074 -3.359 -7.395 1.00 2.43 C ATOM 219 CD GLU A 24 -9.493 -3.183 -8.841 1.00 10.20 C ATOM 220 OE1 GLU A 24 -8.820 -3.750 -9.728 1.00 11.50 O ATOM 221 OE2 GLU A 24 -10.490 -2.479 -9.088 1.00 23.00 O ATOM 0 H GLU A 24 -9.349 -4.681 -4.841 1.00 65.40 H new ATOM 0 HA GLU A 24 -10.304 -5.764 -7.271 1.00 31.30 H new ATOM 0 HB2 GLU A 24 -7.639 -4.592 -6.396 1.00 3.53 H new ATOM 0 HB3 GLU A 24 -7.967 -5.068 -8.050 1.00 3.53 H new ATOM 0 HG2 GLU A 24 -9.946 -3.242 -6.751 1.00 2.43 H new ATOM 0 HG3 GLU A 24 -8.371 -2.570 -7.126 1.00 2.43 H new ATOM 228 N ASP A 25 -7.866 -7.423 -5.778 1.00 44.40 N ATOM 229 CA ASP A 25 -7.181 -8.710 -5.735 1.00 73.50 C ATOM 230 C ASP A 25 -8.152 -9.833 -5.388 1.00 20.50 C ATOM 231 O ASP A 25 -8.124 -10.900 -5.996 1.00 40.40 O ATOM 232 CB ASP A 25 -6.042 -8.671 -4.715 1.00 10.40 C ATOM 233 CG ASP A 25 -5.027 -9.775 -4.938 1.00 53.00 C ATOM 234 OD1 ASP A 25 -4.635 -9.994 -6.103 1.00 30.20 O ATOM 235 OD2 ASP A 25 -4.625 -10.420 -3.947 1.00 60.10 O ATOM 0 H ASP A 25 -7.582 -6.769 -5.049 1.00 44.40 H new ATOM 0 HA ASP A 25 -6.767 -8.906 -6.724 1.00 73.50 H new ATOM 0 HB2 ASP A 25 -5.541 -7.704 -4.771 1.00 10.40 H new ATOM 0 HB3 ASP A 25 -6.455 -8.759 -3.710 1.00 10.40 H new ATOM 240 N LYS A 26 -9.012 -9.582 -4.405 1.00 4.20 N ATOM 241 CA LYS A 26 -9.993 -10.570 -3.977 1.00 43.00 C ATOM 242 C LYS A 26 -11.040 -10.790 -5.056 1.00 33.20 C ATOM 243 O LYS A 26 -11.570 -11.890 -5.199 1.00 13.20 O ATOM 244 CB LYS A 26 -10.660 -10.120 -2.677 1.00 2.11 C ATOM 245 CG LYS A 26 -10.990 -11.270 -1.736 1.00 32.10 C ATOM 246 CD LYS A 26 -10.970 -10.820 -0.283 1.00 20.30 C ATOM 247 CE LYS A 26 -10.460 -11.930 0.632 1.00 32.20 C ATOM 248 NZ LYS A 26 -11.580 -12.670 1.277 1.00 73.10 N ATOM 0 H LYS A 26 -9.048 -8.702 -3.891 1.00 4.20 H new ATOM 0 HA LYS A 26 -9.478 -11.514 -3.802 1.00 43.00 H new ATOM 0 HB2 LYS A 26 -10.002 -9.418 -2.164 1.00 2.11 H new ATOM 0 HB3 LYS A 26 -11.577 -9.581 -2.916 1.00 2.11 H new ATOM 0 HG2 LYS A 26 -11.973 -11.672 -1.981 1.00 32.10 H new ATOM 0 HG3 LYS A 26 -10.271 -12.077 -1.879 1.00 32.10 H new ATOM 0 HD2 LYS A 26 -10.335 -9.940 -0.181 1.00 20.30 H new ATOM 0 HD3 LYS A 26 -11.974 -10.525 0.023 1.00 20.30 H new ATOM 0 HE2 LYS A 26 -9.849 -12.625 0.056 1.00 32.20 H new ATOM 0 HE3 LYS A 26 -9.817 -11.501 1.400 1.00 32.20 H new ATOM 0 HZ1 LYS A 26 -11.195 -13.416 1.891 1.00 73.10 H new ATOM 0 HZ2 LYS A 26 -12.148 -12.012 1.847 1.00 73.10 H new ATOM 0 HZ3 LYS A 26 -12.180 -13.100 0.544 1.00 73.10 H new ATOM 262 N ALA A 27 -11.340 -9.746 -5.813 1.00 5.41 N ATOM 263 CA ALA A 27 -12.330 -9.828 -6.880 1.00 61.20 C ATOM 264 C ALA A 27 -11.770 -10.570 -8.089 1.00 12.40 C ATOM 265 O ALA A 27 -12.450 -11.420 -8.668 1.00 1.25 O ATOM 266 CB ALA A 27 -12.790 -8.434 -7.281 1.00 22.30 C ATOM 0 H ALA A 27 -10.911 -8.827 -5.709 1.00 5.41 H new ATOM 0 HA ALA A 27 -13.187 -10.388 -6.506 1.00 61.20 H new ATOM 0 HB1 ALA A 27 -13.529 -8.510 -8.079 1.00 22.30 H new ATOM 0 HB2 ALA A 27 -13.235 -7.936 -6.420 1.00 22.30 H new ATOM 0 HB3 ALA A 27 -11.935 -7.856 -7.632 1.00 22.30 H new ATOM 272 N GLY A 28 -10.540 -10.240 -8.464 1.00 52.30 N ATOM 273 CA GLY A 28 -9.922 -10.890 -9.602 1.00 35.40 C ATOM 274 C GLY A 28 -8.797 -10.060 -10.190 1.00 12.30 C ATOM 275 O GLY A 28 -7.814 -10.610 -10.690 1.00 12.30 O ATOM 0 H GLY A 28 -9.962 -9.537 -8.002 1.00 52.30 H new ATOM 0 HA2 GLY A 28 -9.534 -11.862 -9.297 1.00 35.40 H new ATOM 0 HA3 GLY A 28 -10.676 -11.073 -10.368 1.00 35.40 H new ATOM 279 N ASN A 29 -8.942 -8.747 -10.130 1.00 64.10 N ATOM 280 CA ASN A 29 -7.931 -7.844 -10.670 1.00 74.30 C ATOM 281 C ASN A 29 -6.705 -7.801 -9.767 1.00 51.40 C ATOM 282 O ASN A 29 -6.795 -7.413 -8.602 1.00 2.11 O ATOM 283 CB ASN A 29 -8.509 -6.436 -10.830 1.00 61.10 C ATOM 284 CG ASN A 29 -9.770 -6.423 -11.670 1.00 4.11 C ATOM 285 OD1 ASN A 29 -10.260 -7.471 -12.090 1.00 32.00 O ATOM 286 ND2 ASN A 29 -10.290 -5.231 -11.930 1.00 20.20 N ATOM 0 H ASN A 29 -9.748 -8.280 -9.714 1.00 64.10 H new ATOM 0 HA ASN A 29 -7.628 -8.219 -11.648 1.00 74.30 H new ATOM 0 HB2 ASN A 29 -8.727 -6.021 -9.846 1.00 61.10 H new ATOM 0 HB3 ASN A 29 -7.762 -5.789 -11.290 1.00 61.10 H new ATOM 0 HD21 ASN A 29 -11.132 -5.155 -12.501 1.00 20.20 H new ATOM 0 HD22 ASN A 29 -9.848 -4.390 -11.559 1.00 20.20 H new ATOM 293 N TYR A 30 -5.560 -8.202 -10.300 1.00 72.40 N ATOM 294 CA TYR A 30 -4.315 -8.209 -9.550 1.00 63.20 C ATOM 295 C TYR A 30 -3.404 -7.067 -9.988 1.00 50.10 C ATOM 296 O TYR A 30 -2.702 -6.472 -9.171 1.00 73.10 O ATOM 297 CB TYR A 30 -3.595 -9.547 -9.723 1.00 64.50 C ATOM 298 CG TYR A 30 -4.134 -10.640 -8.834 1.00 63.20 C ATOM 299 CD1 TYR A 30 -5.502 -10.830 -8.681 1.00 74.20 C ATOM 300 CD2 TYR A 30 -3.275 -11.490 -8.148 1.00 22.40 C ATOM 301 CE1 TYR A 30 -5.999 -11.830 -7.870 1.00 74.50 C ATOM 302 CE2 TYR A 30 -3.764 -12.500 -7.335 1.00 61.20 C ATOM 303 CZ TYR A 30 -5.126 -12.660 -7.199 1.00 23.00 C ATOM 304 OH TYR A 30 -5.617 -13.660 -6.391 1.00 53.20 O ATOM 0 H TYR A 30 -5.469 -8.530 -11.261 1.00 72.40 H new ATOM 0 HA TYR A 30 -4.558 -8.070 -8.497 1.00 63.20 H new ATOM 0 HB2 TYR A 30 -3.676 -9.862 -10.763 1.00 64.50 H new ATOM 0 HB3 TYR A 30 -2.534 -9.409 -9.514 1.00 64.50 H new ATOM 0 HD1 TYR A 30 -6.189 -10.183 -9.206 1.00 74.20 H new ATOM 0 HD2 TYR A 30 -2.208 -11.361 -8.250 1.00 22.40 H new ATOM 0 HE1 TYR A 30 -7.065 -11.962 -7.762 1.00 74.50 H new ATOM 0 HE2 TYR A 30 -3.084 -13.156 -6.812 1.00 61.20 H new ATOM 0 HH TYR A 30 -4.871 -14.155 -5.993 1.00 53.20 H new ATOM 314 N GLU A 31 -3.420 -6.768 -11.280 1.00 64.30 N ATOM 315 CA GLU A 31 -2.595 -5.697 -11.830 1.00 50.40 C ATOM 316 C GLU A 31 -2.948 -4.358 -11.190 1.00 64.40 C ATOM 317 O GLU A 31 -2.079 -3.660 -10.660 1.00 31.20 O ATOM 318 CB GLU A 31 -2.771 -5.614 -13.340 1.00 5.15 C ATOM 319 CG GLU A 31 -1.828 -6.522 -14.110 1.00 54.20 C ATOM 320 CD GLU A 31 -1.521 -5.998 -15.500 1.00 14.20 C ATOM 321 OE1 GLU A 31 -1.215 -4.794 -15.630 1.00 62.40 O ATOM 322 OE2 GLU A 31 -1.587 -6.792 -16.470 1.00 71.30 O ATOM 0 H GLU A 31 -3.996 -7.252 -11.969 1.00 64.30 H new ATOM 0 HA GLU A 31 -1.553 -5.924 -11.607 1.00 50.40 H new ATOM 0 HB2 GLU A 31 -3.799 -5.873 -13.593 1.00 5.15 H new ATOM 0 HB3 GLU A 31 -2.613 -4.584 -13.660 1.00 5.15 H new ATOM 0 HG2 GLU A 31 -0.898 -6.630 -13.553 1.00 54.20 H new ATOM 0 HG3 GLU A 31 -2.270 -7.515 -14.189 1.00 54.20 H new ATOM 329 N GLU A 32 -4.228 -4.004 -11.230 1.00 21.50 N ATOM 330 CA GLU A 32 -4.696 -2.748 -10.660 1.00 53.50 C ATOM 331 C GLU A 32 -4.557 -2.759 -9.146 1.00 33.40 C ATOM 332 O GLU A 32 -4.291 -1.727 -8.529 1.00 3.12 O ATOM 333 CB GLU A 32 -6.154 -2.498 -11.050 1.00 43.40 C ATOM 334 CG GLU A 32 -6.522 -1.024 -11.110 1.00 21.30 C ATOM 335 CD GLU A 32 -6.513 -0.483 -12.530 1.00 34.10 C ATOM 336 OE1 GLU A 32 -7.465 -0.775 -13.280 1.00 41.20 O ATOM 337 OE2 GLU A 32 -5.553 0.233 -12.880 1.00 14.30 O ATOM 0 H GLU A 32 -4.962 -4.572 -11.653 1.00 21.50 H new ATOM 0 HA GLU A 32 -4.080 -1.942 -11.059 1.00 53.50 H new ATOM 0 HB2 GLU A 32 -6.344 -2.952 -12.023 1.00 43.40 H new ATOM 0 HB3 GLU A 32 -6.805 -2.998 -10.332 1.00 43.40 H new ATOM 0 HG2 GLU A 32 -7.512 -0.881 -10.676 1.00 21.30 H new ATOM 0 HG3 GLU A 32 -5.821 -0.452 -10.502 1.00 21.30 H new ATOM 344 N ALA A 33 -4.738 -3.932 -8.548 1.00 72.50 N ATOM 345 CA ALA A 33 -4.632 -4.078 -7.102 1.00 72.40 C ATOM 346 C ALA A 33 -3.188 -3.923 -6.639 1.00 41.40 C ATOM 347 O ALA A 33 -2.923 -3.356 -5.579 1.00 23.30 O ATOM 348 CB ALA A 33 -5.187 -5.425 -6.666 1.00 31.20 C ATOM 0 H ALA A 33 -4.959 -4.796 -9.044 1.00 72.50 H new ATOM 0 HA ALA A 33 -5.221 -3.287 -6.637 1.00 72.40 H new ATOM 0 HB1 ALA A 33 -5.101 -5.521 -5.584 1.00 31.20 H new ATOM 0 HB2 ALA A 33 -6.236 -5.497 -6.955 1.00 31.20 H new ATOM 0 HB3 ALA A 33 -4.622 -6.224 -7.147 1.00 31.20 H new ATOM 354 N LEU A 34 -2.257 -4.431 -7.440 1.00 2.43 N ATOM 355 CA LEU A 34 -0.838 -4.348 -7.112 1.00 20.40 C ATOM 356 C LEU A 34 -0.391 -2.895 -6.994 1.00 2.43 C ATOM 357 O LEU A 34 0.205 -2.499 -5.992 1.00 44.50 O ATOM 358 CB LEU A 34 -0.005 -5.066 -8.176 1.00 23.40 C ATOM 359 CG LEU A 34 1.507 -5.027 -7.949 1.00 62.50 C ATOM 360 CD1 LEU A 34 1.854 -5.578 -6.574 1.00 62.00 C ATOM 361 CD2 LEU A 34 2.228 -5.810 -9.036 1.00 31.40 C ATOM 0 H LEU A 34 -2.459 -4.904 -8.321 1.00 2.43 H new ATOM 0 HA LEU A 34 -0.684 -4.835 -6.149 1.00 20.40 H new ATOM 0 HB2 LEU A 34 -0.323 -6.107 -8.223 1.00 23.40 H new ATOM 0 HB3 LEU A 34 -0.223 -4.622 -9.147 1.00 23.40 H new ATOM 0 HG LEU A 34 1.837 -3.989 -7.996 1.00 62.50 H new ATOM 0 HD11 LEU A 34 2.934 -5.543 -6.430 1.00 62.00 H new ATOM 0 HD12 LEU A 34 1.366 -4.977 -5.807 1.00 62.00 H new ATOM 0 HD13 LEU A 34 1.512 -6.610 -6.499 1.00 62.00 H new ATOM 0 HD21 LEU A 34 3.303 -5.772 -8.860 1.00 31.40 H new ATOM 0 HD22 LEU A 34 1.894 -6.847 -9.020 1.00 31.40 H new ATOM 0 HD23 LEU A 34 2.004 -5.372 -10.009 1.00 31.40 H new ATOM 373 N GLN A 35 -0.683 -2.106 -8.022 1.00 40.10 N ATOM 374 CA GLN A 35 -0.310 -0.696 -8.033 1.00 51.10 C ATOM 375 C GLN A 35 -0.984 0.054 -6.888 1.00 52.30 C ATOM 376 O GLN A 35 -0.431 1.013 -6.350 1.00 50.30 O ATOM 377 CB GLN A 35 -0.690 -0.057 -9.370 1.00 31.50 C ATOM 378 CG GLN A 35 0.362 -0.238 -10.450 1.00 23.40 C ATOM 379 CD GLN A 35 1.597 0.608 -10.210 1.00 52.00 C ATOM 380 OE1 GLN A 35 1.791 1.148 -9.123 1.00 3.43 O ATOM 381 NE2 GLN A 35 2.440 0.726 -11.230 1.00 23.50 N ATOM 0 H GLN A 35 -1.177 -2.418 -8.858 1.00 40.10 H new ATOM 0 HA GLN A 35 0.770 -0.630 -7.901 1.00 51.10 H new ATOM 0 HB2 GLN A 35 -1.630 -0.487 -9.715 1.00 31.50 H new ATOM 0 HB3 GLN A 35 -0.863 1.008 -9.218 1.00 31.50 H new ATOM 0 HG2 GLN A 35 0.650 -1.288 -10.499 1.00 23.40 H new ATOM 0 HG3 GLN A 35 -0.068 0.020 -11.418 1.00 23.40 H new ATOM 0 HE21 GLN A 35 2.239 0.260 -12.115 1.00 23.50 H new ATOM 0 HE22 GLN A 35 3.289 1.283 -11.128 1.00 23.50 H new ATOM 390 N LEU A 36 -2.181 -0.391 -6.520 1.00 1.20 N ATOM 391 CA LEU A 36 -2.930 0.238 -5.438 1.00 11.40 C ATOM 392 C LEU A 36 -2.327 -0.114 -4.082 1.00 63.30 C ATOM 393 O LEU A 36 -2.280 0.719 -3.178 1.00 43.40 O ATOM 394 CB LEU A 36 -4.396 -0.197 -5.486 1.00 21.40 C ATOM 395 CG LEU A 36 -5.184 0.311 -6.694 1.00 22.10 C ATOM 396 CD1 LEU A 36 -6.384 -0.582 -6.963 1.00 63.20 C ATOM 397 CD2 LEU A 36 -5.627 1.750 -6.473 1.00 14.10 C ATOM 0 H LEU A 36 -2.653 -1.184 -6.955 1.00 1.20 H new ATOM 0 HA LEU A 36 -2.874 1.318 -5.570 1.00 11.40 H new ATOM 0 HB2 LEU A 36 -4.436 -1.286 -5.478 1.00 21.40 H new ATOM 0 HB3 LEU A 36 -4.891 0.147 -4.578 1.00 21.40 H new ATOM 0 HG LEU A 36 -4.533 0.281 -7.567 1.00 22.10 H new ATOM 0 HD11 LEU A 36 -6.932 -0.204 -7.826 1.00 63.20 H new ATOM 0 HD12 LEU A 36 -6.044 -1.598 -7.165 1.00 63.20 H new ATOM 0 HD13 LEU A 36 -7.038 -0.585 -6.091 1.00 63.20 H new ATOM 0 HD21 LEU A 36 -6.186 2.096 -7.342 1.00 14.10 H new ATOM 0 HD22 LEU A 36 -6.261 1.804 -5.588 1.00 14.10 H new ATOM 0 HD23 LEU A 36 -4.751 2.383 -6.330 1.00 14.10 H new ATOM 409 N TYR A 37 -1.867 -1.354 -3.949 1.00 13.30 N ATOM 410 CA TYR A 37 -1.266 -1.816 -2.703 1.00 20.30 C ATOM 411 C TYR A 37 -0.037 -0.985 -2.351 1.00 12.30 C ATOM 412 O TYR A 37 0.154 -0.599 -1.198 1.00 65.10 O ATOM 413 CB TYR A 37 -0.884 -3.293 -2.814 1.00 53.40 C ATOM 414 CG TYR A 37 -2.068 -4.231 -2.766 1.00 60.10 C ATOM 415 CD1 TYR A 37 -3.080 -4.056 -1.831 1.00 42.30 C ATOM 416 CD2 TYR A 37 -2.174 -5.293 -3.656 1.00 34.10 C ATOM 417 CE1 TYR A 37 -4.164 -4.912 -1.784 1.00 4.15 C ATOM 418 CE2 TYR A 37 -3.256 -6.152 -3.616 1.00 35.20 C ATOM 419 CZ TYR A 37 -4.247 -5.958 -2.678 1.00 53.40 C ATOM 420 OH TYR A 37 -5.325 -6.812 -2.635 1.00 70.00 O ATOM 0 H TYR A 37 -1.899 -2.056 -4.688 1.00 13.30 H new ATOM 0 HA TYR A 37 -2.002 -1.697 -1.908 1.00 20.30 H new ATOM 0 HB2 TYR A 37 -0.344 -3.451 -3.748 1.00 53.40 H new ATOM 0 HB3 TYR A 37 -0.199 -3.544 -2.004 1.00 53.40 H new ATOM 0 HD1 TYR A 37 -3.019 -3.237 -1.129 1.00 42.30 H new ATOM 0 HD2 TYR A 37 -1.398 -5.450 -4.391 1.00 34.10 H new ATOM 0 HE1 TYR A 37 -4.942 -4.762 -1.050 1.00 4.15 H new ATOM 0 HE2 TYR A 37 -3.325 -6.971 -4.316 1.00 35.20 H new ATOM 0 HH TYR A 37 -6.051 -6.451 -3.186 1.00 70.00 H new ATOM 430 N GLN A 38 0.794 -0.714 -3.352 1.00 74.50 N ATOM 431 CA GLN A 38 2.006 0.071 -3.147 1.00 60.10 C ATOM 432 C GLN A 38 1.665 1.512 -2.783 1.00 53.00 C ATOM 433 O GLN A 38 2.328 2.124 -1.945 1.00 42.40 O ATOM 434 CB GLN A 38 2.875 0.043 -4.406 1.00 70.30 C ATOM 435 CG GLN A 38 3.499 -1.315 -4.685 1.00 10.30 C ATOM 436 CD GLN A 38 3.875 -1.495 -6.142 1.00 32.10 C ATOM 437 OE1 GLN A 38 4.276 -0.545 -6.814 1.00 54.20 O ATOM 438 NE2 GLN A 38 3.746 -2.720 -6.639 1.00 1.12 N ATOM 0 H GLN A 38 0.651 -1.026 -4.312 1.00 74.50 H new ATOM 0 HA GLN A 38 2.561 -0.372 -2.320 1.00 60.10 H new ATOM 0 HB2 GLN A 38 2.269 0.338 -5.262 1.00 70.30 H new ATOM 0 HB3 GLN A 38 3.668 0.784 -4.307 1.00 70.30 H new ATOM 0 HG2 GLN A 38 4.388 -1.436 -4.066 1.00 10.30 H new ATOM 0 HG3 GLN A 38 2.799 -2.099 -4.395 1.00 10.30 H new ATOM 0 HE21 GLN A 38 3.410 -3.478 -6.046 1.00 1.12 H new ATOM 0 HE22 GLN A 38 3.983 -2.902 -7.614 1.00 1.12 H new ATOM 447 N HIS A 39 0.628 2.049 -3.417 1.00 42.40 N ATOM 448 CA HIS A 39 0.199 3.418 -3.160 1.00 12.10 C ATOM 449 C HIS A 39 -0.218 3.593 -1.703 1.00 33.00 C ATOM 450 O HIS A 39 0.155 4.569 -1.052 1.00 3.22 O ATOM 451 CB HIS A 39 -0.961 3.794 -4.083 1.00 51.30 C ATOM 452 CG HIS A 39 -0.522 4.409 -5.375 1.00 35.00 C ATOM 453 ND1 HIS A 39 -1.389 5.040 -6.242 1.00 61.30 N ATOM 454 CD2 HIS A 39 0.703 4.489 -5.948 1.00 4.05 C ATOM 455 CE1 HIS A 39 -0.718 5.480 -7.292 1.00 42.10 C ATOM 456 NE2 HIS A 39 0.553 5.159 -7.137 1.00 15.30 N ATOM 0 H HIS A 39 0.069 1.556 -4.113 1.00 42.40 H new ATOM 0 HA HIS A 39 1.042 4.079 -3.360 1.00 12.10 H new ATOM 0 HB2 HIS A 39 -1.549 2.901 -4.296 1.00 51.30 H new ATOM 0 HB3 HIS A 39 -1.617 4.491 -3.563 1.00 51.30 H new ATOM 0 HD2 HIS A 39 1.626 4.099 -5.545 1.00 4.05 H new ATOM 0 HE1 HIS A 39 -1.138 6.011 -8.133 1.00 42.10 H new ATOM 0 HE2 HIS A 39 1.303 5.374 -7.794 1.00 15.30 H new ATOM 465 N ALA A 40 -0.994 2.640 -1.197 1.00 5.22 N ATOM 466 CA ALA A 40 -1.463 2.688 0.183 1.00 55.00 C ATOM 467 C ALA A 40 -0.292 2.711 1.160 1.00 32.10 C ATOM 468 O ALA A 40 -0.321 3.426 2.161 1.00 44.00 O ATOM 469 CB ALA A 40 -2.371 1.503 0.473 1.00 30.40 C ATOM 0 H ALA A 40 -1.311 1.825 -1.722 1.00 5.22 H new ATOM 0 HA ALA A 40 -2.032 3.608 0.316 1.00 55.00 H new ATOM 0 HB1 ALA A 40 -2.714 1.552 1.507 1.00 30.40 H new ATOM 0 HB2 ALA A 40 -3.231 1.531 -0.196 1.00 30.40 H new ATOM 0 HB3 ALA A 40 -1.820 0.576 0.317 1.00 30.40 H new ATOM 475 N VAL A 41 0.737 1.924 0.861 1.00 74.20 N ATOM 476 CA VAL A 41 1.918 1.855 1.713 1.00 12.50 C ATOM 477 C VAL A 41 2.747 3.130 1.605 1.00 64.10 C ATOM 478 O VAL A 41 3.388 3.549 2.569 1.00 4.31 O ATOM 479 CB VAL A 41 2.803 0.647 1.350 1.00 4.13 C ATOM 480 CG1 VAL A 41 3.944 0.501 2.346 1.00 12.50 C ATOM 481 CG2 VAL A 41 1.972 -0.626 1.291 1.00 70.00 C ATOM 0 H VAL A 41 0.776 1.326 0.036 1.00 74.20 H new ATOM 0 HA VAL A 41 1.564 1.740 2.737 1.00 12.50 H new ATOM 0 HB VAL A 41 3.233 0.819 0.363 1.00 4.13 H new ATOM 0 HG11 VAL A 41 4.558 -0.357 2.073 1.00 12.50 H new ATOM 0 HG12 VAL A 41 4.556 1.403 2.333 1.00 12.50 H new ATOM 0 HG13 VAL A 41 3.537 0.353 3.346 1.00 12.50 H new ATOM 0 HG21 VAL A 41 2.614 -1.468 1.033 1.00 70.00 H new ATOM 0 HG22 VAL A 41 1.511 -0.805 2.262 1.00 70.00 H new ATOM 0 HG23 VAL A 41 1.194 -0.518 0.535 1.00 70.00 H new ATOM 491 N GLN A 42 2.730 3.743 0.426 1.00 42.10 N ATOM 492 CA GLN A 42 3.481 4.971 0.193 1.00 35.30 C ATOM 493 C GLN A 42 2.922 6.118 1.030 1.00 53.40 C ATOM 494 O GLN A 42 3.674 6.890 1.624 1.00 5.20 O ATOM 495 CB GLN A 42 3.444 5.342 -1.291 1.00 14.40 C ATOM 496 CG GLN A 42 4.575 4.729 -2.100 1.00 1.42 C ATOM 497 CD GLN A 42 4.745 5.385 -3.456 1.00 61.30 C ATOM 498 OE1 GLN A 42 5.548 6.304 -3.618 1.00 45.40 O ATOM 499 NE2 GLN A 42 3.986 4.916 -4.439 1.00 35.30 N ATOM 0 H GLN A 42 2.205 3.410 -0.382 1.00 42.10 H new ATOM 0 HA GLN A 42 4.515 4.798 0.492 1.00 35.30 H new ATOM 0 HB2 GLN A 42 2.491 5.022 -1.713 1.00 14.40 H new ATOM 0 HB3 GLN A 42 3.487 6.427 -1.387 1.00 14.40 H new ATOM 0 HG2 GLN A 42 5.506 4.816 -1.540 1.00 1.42 H new ATOM 0 HG3 GLN A 42 4.383 3.665 -2.237 1.00 1.42 H new ATOM 0 HE21 GLN A 42 3.334 4.153 -4.260 1.00 35.30 H new ATOM 0 HE22 GLN A 42 4.055 5.319 -5.373 1.00 35.30 H new ATOM 508 N TYR A 43 1.598 6.222 1.072 1.00 44.10 N ATOM 509 CA TYR A 43 0.938 7.274 1.836 1.00 12.20 C ATOM 510 C TYR A 43 0.984 6.972 3.330 1.00 23.40 C ATOM 511 O TYR A 43 1.166 7.871 4.150 1.00 25.40 O ATOM 512 CB TYR A 43 -0.514 7.430 1.380 1.00 40.40 C ATOM 513 CG TYR A 43 -0.654 7.822 -0.073 1.00 20.00 C ATOM 514 CD1 TYR A 43 -0.228 9.066 -0.522 1.00 33.30 C ATOM 515 CD2 TYR A 43 -1.213 6.948 -0.997 1.00 44.40 C ATOM 516 CE1 TYR A 43 -0.354 9.428 -1.849 1.00 3.10 C ATOM 517 CE2 TYR A 43 -1.343 7.302 -2.327 1.00 34.30 C ATOM 518 CZ TYR A 43 -0.912 8.543 -2.747 1.00 75.20 C ATOM 519 OH TYR A 43 -1.040 8.899 -4.070 1.00 22.40 O ATOM 0 H TYR A 43 0.961 5.591 0.586 1.00 44.10 H new ATOM 0 HA TYR A 43 1.471 8.208 1.656 1.00 12.20 H new ATOM 0 HB2 TYR A 43 -1.041 6.491 1.546 1.00 40.40 H new ATOM 0 HB3 TYR A 43 -1.001 8.183 1.999 1.00 40.40 H new ATOM 0 HD1 TYR A 43 0.209 9.762 0.179 1.00 33.30 H new ATOM 0 HD2 TYR A 43 -1.552 5.976 -0.671 1.00 44.40 H new ATOM 0 HE1 TYR A 43 -0.017 10.399 -2.181 1.00 3.10 H new ATOM 0 HE2 TYR A 43 -1.779 6.611 -3.033 1.00 34.30 H new ATOM 0 HH TYR A 43 -1.451 8.162 -4.569 1.00 22.40 H new ATOM 529 N PHE A 44 0.819 5.699 3.677 1.00 50.30 N ATOM 530 CA PHE A 44 0.842 5.278 5.073 1.00 14.00 C ATOM 531 C PHE A 44 2.183 5.612 5.719 1.00 61.00 C ATOM 532 O PHE A 44 2.234 6.226 6.785 1.00 43.40 O ATOM 533 CB PHE A 44 0.571 3.777 5.179 1.00 33.50 C ATOM 534 CG PHE A 44 -0.890 3.433 5.247 1.00 43.20 C ATOM 535 CD1 PHE A 44 -1.741 4.130 6.090 1.00 64.20 C ATOM 536 CD2 PHE A 44 -1.412 2.414 4.467 1.00 41.10 C ATOM 537 CE1 PHE A 44 -3.085 3.816 6.154 1.00 71.30 C ATOM 538 CE2 PHE A 44 -2.756 2.096 4.526 1.00 24.20 C ATOM 539 CZ PHE A 44 -3.593 2.798 5.371 1.00 73.30 C ATOM 0 H PHE A 44 0.668 4.942 3.011 1.00 50.30 H new ATOM 0 HA PHE A 44 0.059 5.819 5.603 1.00 14.00 H new ATOM 0 HB2 PHE A 44 1.014 3.275 4.319 1.00 33.50 H new ATOM 0 HB3 PHE A 44 1.069 3.388 6.067 1.00 33.50 H new ATOM 0 HD1 PHE A 44 -1.349 4.928 6.704 1.00 64.20 H new ATOM 0 HD2 PHE A 44 -0.761 1.862 3.805 1.00 41.10 H new ATOM 0 HE1 PHE A 44 -3.738 4.366 6.816 1.00 71.30 H new ATOM 0 HE2 PHE A 44 -3.151 1.300 3.912 1.00 24.20 H new ATOM 0 HZ PHE A 44 -4.643 2.551 5.419 1.00 73.30 H new ATOM 549 N LEU A 45 3.266 5.202 5.068 1.00 1.33 N ATOM 550 CA LEU A 45 4.608 5.457 5.579 1.00 24.40 C ATOM 551 C LEU A 45 4.910 6.952 5.591 1.00 63.20 C ATOM 552 O LEU A 45 5.650 7.439 6.446 1.00 40.10 O ATOM 553 CB LEU A 45 5.647 4.722 4.731 1.00 74.20 C ATOM 554 CG LEU A 45 5.531 3.197 4.741 1.00 31.30 C ATOM 555 CD1 LEU A 45 6.524 2.579 3.770 1.00 72.20 C ATOM 556 CD2 LEU A 45 5.749 2.657 6.146 1.00 2.43 C ATOM 0 H LEU A 45 3.241 4.692 4.185 1.00 1.33 H new ATOM 0 HA LEU A 45 4.657 5.086 6.603 1.00 24.40 H new ATOM 0 HB2 LEU A 45 5.565 5.070 3.701 1.00 74.20 H new ATOM 0 HB3 LEU A 45 6.641 4.998 5.083 1.00 74.20 H new ATOM 0 HG LEU A 45 4.525 2.926 4.420 1.00 31.30 H new ATOM 0 HD11 LEU A 45 6.426 1.494 3.791 1.00 72.20 H new ATOM 0 HD12 LEU A 45 6.321 2.942 2.762 1.00 72.20 H new ATOM 0 HD13 LEU A 45 7.537 2.858 4.059 1.00 72.20 H new ATOM 0 HD21 LEU A 45 5.663 1.570 6.136 1.00 2.43 H new ATOM 0 HD22 LEU A 45 6.743 2.939 6.494 1.00 2.43 H new ATOM 0 HD23 LEU A 45 4.998 3.074 6.817 1.00 2.43 H new ATOM 568 N HIS A 46 4.331 7.675 4.638 1.00 0.12 N ATOM 569 CA HIS A 46 4.539 9.116 4.540 1.00 42.40 C ATOM 570 C HIS A 46 4.053 9.823 5.801 1.00 52.30 C ATOM 571 O HIS A 46 4.664 10.789 6.257 1.00 31.20 O ATOM 572 CB HIS A 46 3.811 9.674 3.316 1.00 75.30 C ATOM 573 CG HIS A 46 4.059 11.133 3.086 1.00 74.40 C ATOM 574 ND1 HIS A 46 5.031 11.605 2.229 1.00 33.30 N ATOM 575 CD2 HIS A 46 3.455 12.227 3.607 1.00 75.50 C ATOM 576 CE1 HIS A 46 5.014 12.927 2.233 1.00 3.40 C ATOM 577 NE2 HIS A 46 4.067 13.328 3.061 1.00 11.20 N ATOM 0 H HIS A 46 3.715 7.288 3.923 1.00 0.12 H new ATOM 0 HA HIS A 46 5.608 9.298 4.433 1.00 42.40 H new ATOM 0 HB2 HIS A 46 4.123 9.117 2.433 1.00 75.30 H new ATOM 0 HB3 HIS A 46 2.740 9.510 3.434 1.00 75.30 H new ATOM 0 HD2 HIS A 46 2.643 12.233 4.319 1.00 75.50 H new ATOM 0 HE1 HIS A 46 5.664 13.569 1.657 1.00 3.40 H new ATOM 0 HE2 HIS A 46 3.829 14.299 3.262 1.00 11.20 H new ATOM 586 N VAL A 47 2.950 9.334 6.359 1.00 53.40 N ATOM 587 CA VAL A 47 2.382 9.919 7.568 1.00 71.40 C ATOM 588 C VAL A 47 3.208 9.553 8.796 1.00 21.20 C ATOM 589 O VAL A 47 3.559 10.416 9.601 1.00 21.20 O ATOM 590 CB VAL A 47 0.929 9.460 7.786 1.00 52.20 C ATOM 591 CG1 VAL A 47 0.290 10.230 8.931 1.00 53.30 C ATOM 592 CG2 VAL A 47 0.120 9.622 6.507 1.00 51.30 C ATOM 0 H VAL A 47 2.432 8.535 5.993 1.00 53.40 H new ATOM 0 HA VAL A 47 2.397 11.000 7.432 1.00 71.40 H new ATOM 0 HB VAL A 47 0.938 8.403 8.052 1.00 52.20 H new ATOM 0 HG11 VAL A 47 -0.737 9.891 9.069 1.00 53.30 H new ATOM 0 HG12 VAL A 47 0.856 10.057 9.846 1.00 53.30 H new ATOM 0 HG13 VAL A 47 0.292 11.295 8.699 1.00 53.30 H new ATOM 0 HG21 VAL A 47 -0.904 9.293 6.680 1.00 51.30 H new ATOM 0 HG22 VAL A 47 0.118 10.670 6.208 1.00 51.30 H new ATOM 0 HG23 VAL A 47 0.566 9.020 5.716 1.00 51.30 H new ATOM 602 N VAL A 48 3.515 8.267 8.934 1.00 21.20 N ATOM 603 CA VAL A 48 4.300 7.786 10.065 1.00 34.20 C ATOM 604 C VAL A 48 5.673 8.447 10.101 1.00 24.20 C ATOM 605 O VAL A 48 6.198 8.752 11.172 1.00 14.30 O ATOM 606 CB VAL A 48 4.480 6.257 10.014 1.00 23.50 C ATOM 607 CG1 VAL A 48 5.124 5.752 11.296 1.00 3.22 C ATOM 608 CG2 VAL A 48 3.144 5.570 9.773 1.00 52.40 C ATOM 0 H VAL A 48 3.232 7.540 8.277 1.00 21.20 H new ATOM 0 HA VAL A 48 3.749 8.049 10.968 1.00 34.20 H new ATOM 0 HB VAL A 48 5.142 6.015 9.183 1.00 23.50 H new ATOM 0 HG11 VAL A 48 5.243 4.670 11.242 1.00 3.22 H new ATOM 0 HG12 VAL A 48 6.101 6.219 11.421 1.00 3.22 H new ATOM 0 HG13 VAL A 48 4.490 6.005 12.146 1.00 3.22 H new ATOM 0 HG21 VAL A 48 3.291 4.490 9.740 1.00 52.40 H new ATOM 0 HG22 VAL A 48 2.456 5.818 10.581 1.00 52.40 H new ATOM 0 HG23 VAL A 48 2.727 5.909 8.825 1.00 52.40 H new ATOM 618 N LYS A 49 6.251 8.665 8.924 1.00 33.30 N ATOM 619 CA LYS A 49 7.564 9.289 8.821 1.00 64.50 C ATOM 620 C LYS A 49 7.480 10.784 9.114 1.00 73.50 C ATOM 621 O LYS A 49 8.285 11.324 9.873 1.00 64.20 O ATOM 622 CB LYS A 49 8.151 9.064 7.426 1.00 50.20 C ATOM 623 CG LYS A 49 9.662 9.218 7.370 1.00 13.20 C ATOM 624 CD LYS A 49 10.116 9.778 6.031 1.00 53.20 C ATOM 625 CE LYS A 49 10.135 11.298 6.041 1.00 60.00 C ATOM 626 NZ LYS A 49 11.172 11.846 5.124 1.00 24.30 N ATOM 0 H LYS A 49 5.830 8.418 8.028 1.00 33.30 H new ATOM 0 HA LYS A 49 8.217 8.827 9.562 1.00 64.50 H new ATOM 0 HB2 LYS A 49 7.883 8.064 7.085 1.00 50.20 H new ATOM 0 HB3 LYS A 49 7.696 9.770 6.731 1.00 50.20 H new ATOM 0 HG2 LYS A 49 9.991 9.878 8.172 1.00 13.20 H new ATOM 0 HG3 LYS A 49 10.134 8.250 7.540 1.00 13.20 H new ATOM 0 HD2 LYS A 49 11.112 9.402 5.797 1.00 53.20 H new ATOM 0 HD3 LYS A 49 9.449 9.426 5.243 1.00 53.20 H new ATOM 0 HE2 LYS A 49 9.155 11.675 5.748 1.00 60.00 H new ATOM 0 HE3 LYS A 49 10.323 11.652 7.055 1.00 60.00 H new ATOM 0 HZ1 LYS A 49 11.153 12.885 5.160 1.00 24.30 H new ATOM 0 HZ2 LYS A 49 12.110 11.507 5.418 1.00 24.30 H new ATOM 0 HZ3 LYS A 49 10.979 11.529 4.152 1.00 24.30 H new ATOM 640 N TYR A 50 6.500 11.447 8.509 1.00 24.40 N ATOM 641 CA TYR A 50 6.311 12.879 8.706 1.00 54.20 C ATOM 642 C TYR A 50 5.774 13.170 10.103 1.00 33.30 C ATOM 643 O TYR A 50 6.499 13.661 10.968 1.00 2.13 O ATOM 644 CB TYR A 50 5.353 13.438 7.652 1.00 11.00 C ATOM 645 CG TYR A 50 6.008 13.696 6.314 1.00 23.50 C ATOM 646 CD1 TYR A 50 6.676 12.683 5.638 1.00 11.10 C ATOM 647 CD2 TYR A 50 5.958 14.954 5.726 1.00 5.54 C ATOM 648 CE1 TYR A 50 7.275 12.915 4.415 1.00 50.20 C ATOM 649 CE2 TYR A 50 6.555 15.194 4.503 1.00 44.30 C ATOM 650 CZ TYR A 50 7.212 14.172 3.852 1.00 63.00 C ATOM 651 OH TYR A 50 7.808 14.407 2.634 1.00 35.40 O ATOM 0 H TYR A 50 5.825 11.015 7.878 1.00 24.40 H new ATOM 0 HA TYR A 50 7.281 13.366 8.601 1.00 54.20 H new ATOM 0 HB2 TYR A 50 4.529 12.738 7.515 1.00 11.00 H new ATOM 0 HB3 TYR A 50 4.922 14.369 8.022 1.00 11.00 H new ATOM 0 HD1 TYR A 50 6.728 11.697 6.076 1.00 11.10 H new ATOM 0 HD2 TYR A 50 5.444 15.757 6.233 1.00 5.54 H new ATOM 0 HE1 TYR A 50 7.790 12.116 3.903 1.00 50.20 H new ATOM 0 HE2 TYR A 50 6.507 16.178 4.059 1.00 44.30 H new ATOM 0 HH TYR A 50 7.671 15.343 2.378 1.00 35.40 H new ATOM 661 N GLU A 51 4.499 12.864 10.317 1.00 24.10 N ATOM 662 CA GLU A 51 3.864 13.092 11.610 1.00 13.40 C ATOM 663 C GLU A 51 2.619 12.225 11.766 1.00 51.10 C ATOM 664 O GLU A 51 1.539 12.583 11.297 1.00 1.12 O ATOM 665 CB GLU A 51 3.494 14.568 11.767 1.00 23.40 C ATOM 666 CG GLU A 51 2.824 15.161 10.538 1.00 43.10 C ATOM 667 CD GLU A 51 2.718 16.672 10.604 1.00 41.40 C ATOM 668 OE1 GLU A 51 3.745 17.328 10.877 1.00 62.40 O ATOM 669 OE2 GLU A 51 1.607 17.199 10.383 1.00 4.31 O ATOM 0 H GLU A 51 3.885 12.457 9.612 1.00 24.10 H new ATOM 0 HA GLU A 51 4.576 12.818 12.389 1.00 13.40 H new ATOM 0 HB2 GLU A 51 2.828 14.678 12.623 1.00 23.40 H new ATOM 0 HB3 GLU A 51 4.396 15.138 11.990 1.00 23.40 H new ATOM 0 HG2 GLU A 51 3.388 14.878 9.649 1.00 43.10 H new ATOM 0 HG3 GLU A 51 1.826 14.735 10.431 1.00 43.10 H new ATOM 676 N ALA A 52 2.778 11.084 12.428 1.00 20.40 N ATOM 677 CA ALA A 52 1.667 10.166 12.646 1.00 3.21 C ATOM 678 C ALA A 52 0.658 10.748 13.630 1.00 44.50 C ATOM 679 O ALA A 52 0.808 11.880 14.091 1.00 3.21 O ATOM 680 CB ALA A 52 2.182 8.825 13.147 1.00 42.10 C ATOM 0 H ALA A 52 3.666 10.773 12.823 1.00 20.40 H new ATOM 0 HA ALA A 52 1.160 10.016 11.693 1.00 3.21 H new ATOM 0 HB1 ALA A 52 1.342 8.149 13.306 1.00 42.10 H new ATOM 0 HB2 ALA A 52 2.859 8.396 12.408 1.00 42.10 H new ATOM 0 HB3 ALA A 52 2.715 8.968 14.087 1.00 42.10 H new ATOM 686 N GLN A 53 -0.369 9.968 13.949 1.00 70.30 N ATOM 687 CA GLN A 53 -1.403 10.407 14.879 1.00 4.42 C ATOM 688 C GLN A 53 -0.953 10.214 16.323 1.00 21.30 C ATOM 689 O GLN A 53 -1.137 11.095 17.164 1.00 45.50 O ATOM 690 CB GLN A 53 -2.702 9.637 14.630 1.00 33.40 C ATOM 691 CG GLN A 53 -3.125 9.613 13.171 1.00 62.20 C ATOM 692 CD GLN A 53 -3.982 10.805 12.792 1.00 23.30 C ATOM 693 OE1 GLN A 53 -4.821 11.253 13.573 1.00 41.00 O ATOM 694 NE2 GLN A 53 -3.774 11.325 11.588 1.00 75.10 N ATOM 0 H GLN A 53 -0.508 9.028 13.577 1.00 70.30 H new ATOM 0 HA GLN A 53 -1.580 11.469 14.712 1.00 4.42 H new ATOM 0 HB2 GLN A 53 -2.580 8.612 14.981 1.00 33.40 H new ATOM 0 HB3 GLN A 53 -3.499 10.085 15.223 1.00 33.40 H new ATOM 0 HG2 GLN A 53 -2.237 9.593 12.539 1.00 62.20 H new ATOM 0 HG3 GLN A 53 -3.678 8.695 12.972 1.00 62.20 H new ATOM 0 HE21 GLN A 53 -3.067 10.921 10.973 1.00 75.10 H new ATOM 0 HE22 GLN A 53 -4.321 12.128 11.278 1.00 75.10 H new ATOM 703 N GLY A 54 -0.362 9.057 16.604 1.00 54.50 N ATOM 704 CA GLY A 54 0.105 8.771 17.948 1.00 24.20 C ATOM 705 C GLY A 54 0.958 7.519 18.011 1.00 21.30 C ATOM 706 O GLY A 54 1.242 6.901 16.985 1.00 72.20 O ATOM 0 H GLY A 54 -0.198 8.313 15.926 1.00 54.50 H new ATOM 0 HA2 GLY A 54 0.682 9.619 18.317 1.00 24.20 H new ATOM 0 HA3 GLY A 54 -0.753 8.656 18.611 1.00 24.20 H new ATOM 710 N ASP A 55 1.367 7.144 19.218 1.00 30.30 N ATOM 711 CA ASP A 55 2.193 5.958 19.411 1.00 31.30 C ATOM 712 C ASP A 55 1.471 4.707 18.921 1.00 54.40 C ATOM 713 O ASP A 55 1.950 4.013 18.024 1.00 75.10 O ATOM 714 CB ASP A 55 2.562 5.802 20.888 1.00 35.40 C ATOM 715 CG ASP A 55 3.777 4.919 21.090 1.00 13.30 C ATOM 716 OD1 ASP A 55 4.792 5.138 20.397 1.00 13.40 O ATOM 717 OD2 ASP A 55 3.714 4.008 21.942 1.00 72.40 O ATOM 0 H ASP A 55 1.140 7.644 20.077 1.00 30.30 H new ATOM 0 HA ASP A 55 3.105 6.082 18.827 1.00 31.30 H new ATOM 0 HB2 ASP A 55 2.755 6.785 21.317 1.00 35.40 H new ATOM 0 HB3 ASP A 55 1.715 5.379 21.429 1.00 35.40 H new ATOM 722 N LYS A 56 0.317 4.424 19.516 1.00 11.30 N ATOM 723 CA LYS A 56 -0.472 3.257 19.140 1.00 52.20 C ATOM 724 C LYS A 56 -0.882 3.327 17.672 1.00 51.20 C ATOM 725 O LYS A 56 -1.016 2.302 17.005 1.00 74.30 O ATOM 726 CB LYS A 56 -1.715 3.148 20.024 1.00 50.30 C ATOM 727 CG LYS A 56 -2.574 1.932 19.719 1.00 43.40 C ATOM 728 CD LYS A 56 -3.714 2.278 18.774 1.00 74.20 C ATOM 729 CE LYS A 56 -4.747 3.165 19.449 1.00 24.00 C ATOM 730 NZ LYS A 56 -5.215 2.589 20.741 1.00 11.40 N ATOM 0 H LYS A 56 -0.093 4.987 20.261 1.00 11.30 H new ATOM 0 HA LYS A 56 0.146 2.371 19.284 1.00 52.20 H new ATOM 0 HB2 LYS A 56 -1.406 3.111 21.069 1.00 50.30 H new ATOM 0 HB3 LYS A 56 -2.318 4.048 19.902 1.00 50.30 H new ATOM 0 HG2 LYS A 56 -1.956 1.151 19.275 1.00 43.40 H new ATOM 0 HG3 LYS A 56 -2.979 1.529 20.647 1.00 43.40 H new ATOM 0 HD2 LYS A 56 -3.318 2.784 17.894 1.00 74.20 H new ATOM 0 HD3 LYS A 56 -4.191 1.362 18.427 1.00 74.20 H new ATOM 0 HE2 LYS A 56 -4.319 4.152 19.625 1.00 24.00 H new ATOM 0 HE3 LYS A 56 -5.599 3.302 18.783 1.00 24.00 H new ATOM 0 HZ1 LYS A 56 -6.119 3.027 21.009 1.00 11.40 H new ATOM 0 HZ2 LYS A 56 -5.345 1.562 20.637 1.00 11.40 H new ATOM 0 HZ3 LYS A 56 -4.508 2.775 21.480 1.00 11.40 H new ATOM 744 N ALA A 57 -1.079 4.544 17.176 1.00 4.32 N ATOM 745 CA ALA A 57 -1.474 4.748 15.788 1.00 13.10 C ATOM 746 C ALA A 57 -0.394 4.254 14.832 1.00 73.30 C ATOM 747 O ALA A 57 -0.687 3.586 13.840 1.00 2.12 O ATOM 748 CB ALA A 57 -1.773 6.219 15.535 1.00 4.13 C ATOM 0 H ALA A 57 -0.971 5.403 17.715 1.00 4.32 H new ATOM 0 HA ALA A 57 -2.378 4.168 15.604 1.00 13.10 H new ATOM 0 HB1 ALA A 57 -2.067 6.357 14.494 1.00 4.13 H new ATOM 0 HB2 ALA A 57 -2.584 6.543 16.187 1.00 4.13 H new ATOM 0 HB3 ALA A 57 -0.882 6.812 15.742 1.00 4.13 H new ATOM 754 N LYS A 58 0.856 4.588 15.136 1.00 43.30 N ATOM 755 CA LYS A 58 1.981 4.177 14.304 1.00 4.15 C ATOM 756 C LYS A 58 2.070 2.657 14.220 1.00 34.50 C ATOM 757 O LYS A 58 2.302 2.097 13.149 1.00 72.20 O ATOM 758 CB LYS A 58 3.288 4.747 14.859 1.00 54.50 C ATOM 759 CG LYS A 58 3.335 6.266 14.864 1.00 31.50 C ATOM 760 CD LYS A 58 4.267 6.790 15.945 1.00 33.00 C ATOM 761 CE LYS A 58 4.556 8.271 15.761 1.00 32.00 C ATOM 762 NZ LYS A 58 5.960 8.612 16.118 1.00 31.30 N ATOM 0 H LYS A 58 1.115 5.142 15.952 1.00 43.30 H new ATOM 0 HA LYS A 58 1.820 4.569 13.300 1.00 4.15 H new ATOM 0 HB2 LYS A 58 3.430 4.384 15.877 1.00 54.50 H new ATOM 0 HB3 LYS A 58 4.121 4.368 14.267 1.00 54.50 H new ATOM 0 HG2 LYS A 58 3.668 6.624 13.890 1.00 31.50 H new ATOM 0 HG3 LYS A 58 2.332 6.662 15.023 1.00 31.50 H new ATOM 0 HD2 LYS A 58 3.819 6.625 16.925 1.00 33.00 H new ATOM 0 HD3 LYS A 58 5.202 6.230 15.923 1.00 33.00 H new ATOM 0 HE2 LYS A 58 4.367 8.552 14.725 1.00 32.00 H new ATOM 0 HE3 LYS A 58 3.873 8.854 16.379 1.00 32.00 H new ATOM 0 HZ1 LYS A 58 6.116 9.631 15.979 1.00 31.30 H new ATOM 0 HZ2 LYS A 58 6.134 8.368 17.114 1.00 31.30 H new ATOM 0 HZ3 LYS A 58 6.613 8.076 15.511 1.00 31.30 H new ATOM 776 N GLN A 59 1.885 1.995 15.358 1.00 43.40 N ATOM 777 CA GLN A 59 1.944 0.539 15.413 1.00 40.30 C ATOM 778 C GLN A 59 0.886 -0.083 14.508 1.00 2.33 C ATOM 779 O GLN A 59 1.096 -1.152 13.933 1.00 2.02 O ATOM 780 CB GLN A 59 1.751 0.054 16.851 1.00 12.00 C ATOM 781 CG GLN A 59 3.048 -0.051 17.636 1.00 72.40 C ATOM 782 CD GLN A 59 3.572 -1.472 17.708 1.00 10.40 C ATOM 783 OE1 GLN A 59 4.551 -1.819 17.048 1.00 50.00 O ATOM 784 NE2 GLN A 59 2.920 -2.303 18.513 1.00 54.40 N ATOM 0 H GLN A 59 1.693 2.444 16.254 1.00 43.40 H new ATOM 0 HA GLN A 59 2.927 0.227 15.060 1.00 40.30 H new ATOM 0 HB2 GLN A 59 1.077 0.737 17.369 1.00 12.00 H new ATOM 0 HB3 GLN A 59 1.266 -0.922 16.835 1.00 12.00 H new ATOM 0 HG2 GLN A 59 3.801 0.587 17.174 1.00 72.40 H new ATOM 0 HG3 GLN A 59 2.888 0.325 18.646 1.00 72.40 H new ATOM 0 HE21 GLN A 59 2.113 -1.972 19.042 1.00 54.40 H new ATOM 0 HE22 GLN A 59 3.226 -3.272 18.602 1.00 54.40 H new ATOM 793 N SER A 60 -0.252 0.592 14.386 1.00 24.30 N ATOM 794 CA SER A 60 -1.344 0.105 13.550 1.00 74.20 C ATOM 795 C SER A 60 -0.965 0.160 12.074 1.00 41.40 C ATOM 796 O SER A 60 -1.288 -0.747 11.306 1.00 63.50 O ATOM 797 CB SER A 60 -2.609 0.930 13.795 1.00 5.12 C ATOM 798 OG SER A 60 -3.768 0.117 13.735 1.00 64.20 O ATOM 0 H SER A 60 -0.442 1.478 14.855 1.00 24.30 H new ATOM 0 HA SER A 60 -1.538 -0.933 13.818 1.00 74.20 H new ATOM 0 HB2 SER A 60 -2.549 1.412 14.771 1.00 5.12 H new ATOM 0 HB3 SER A 60 -2.679 1.724 13.051 1.00 5.12 H new ATOM 0 HG SER A 60 -4.562 0.668 13.897 1.00 64.20 H new ATOM 804 N ILE A 61 -0.278 1.228 11.684 1.00 51.10 N ATOM 805 CA ILE A 61 0.145 1.401 10.300 1.00 44.50 C ATOM 806 C ILE A 61 1.282 0.448 9.950 1.00 72.40 C ATOM 807 O ILE A 61 1.380 -0.031 8.820 1.00 4.00 O ATOM 808 CB ILE A 61 0.600 2.847 10.027 1.00 72.30 C ATOM 809 CG1 ILE A 61 -0.446 3.840 10.539 1.00 22.30 C ATOM 810 CG2 ILE A 61 0.850 3.053 8.540 1.00 75.20 C ATOM 811 CD1 ILE A 61 -0.062 5.287 10.322 1.00 74.40 C ATOM 0 H ILE A 61 -0.002 1.987 12.307 1.00 51.10 H new ATOM 0 HA ILE A 61 -0.720 1.177 9.675 1.00 44.50 H new ATOM 0 HB ILE A 61 1.534 3.024 10.560 1.00 72.30 H new ATOM 0 HG12 ILE A 61 -1.395 3.645 10.040 1.00 22.30 H new ATOM 0 HG13 ILE A 61 -0.606 3.671 11.604 1.00 22.30 H new ATOM 0 HG21 ILE A 61 1.171 4.080 8.364 1.00 75.20 H new ATOM 0 HG22 ILE A 61 1.627 2.367 8.203 1.00 75.20 H new ATOM 0 HG23 ILE A 61 -0.069 2.860 7.986 1.00 75.20 H new ATOM 0 HD11 ILE A 61 -0.849 5.934 10.709 1.00 74.40 H new ATOM 0 HD12 ILE A 61 0.871 5.498 10.845 1.00 74.40 H new ATOM 0 HD13 ILE A 61 0.069 5.473 9.256 1.00 74.40 H new ATOM 823 N ARG A 62 2.141 0.176 10.927 1.00 22.10 N ATOM 824 CA ARG A 62 3.273 -0.721 10.723 1.00 74.20 C ATOM 825 C ARG A 62 2.797 -2.114 10.324 1.00 1.10 C ATOM 826 O ARG A 62 3.345 -2.730 9.409 1.00 4.40 O ATOM 827 CB ARG A 62 4.121 -0.803 11.993 1.00 54.00 C ATOM 828 CG ARG A 62 5.210 0.254 12.066 1.00 34.40 C ATOM 829 CD ARG A 62 5.996 0.155 13.364 1.00 31.30 C ATOM 830 NE ARG A 62 5.516 1.102 14.368 1.00 33.30 N ATOM 831 CZ ARG A 62 5.998 1.178 15.606 1.00 0.22 C ATOM 832 NH1 ARG A 62 6.973 0.366 15.997 1.00 14.00 N ATOM 833 NH2 ARG A 62 5.505 2.068 16.456 1.00 61.20 N ATOM 0 H ARG A 62 2.075 0.564 11.868 1.00 22.10 H new ATOM 0 HA ARG A 62 3.882 -0.319 9.914 1.00 74.20 H new ATOM 0 HB2 ARG A 62 3.470 -0.703 12.862 1.00 54.00 H new ATOM 0 HB3 ARG A 62 4.580 -1.790 12.051 1.00 54.00 H new ATOM 0 HG2 ARG A 62 5.887 0.139 11.220 1.00 34.40 H new ATOM 0 HG3 ARG A 62 4.763 1.245 11.985 1.00 34.40 H new ATOM 0 HD2 ARG A 62 5.921 -0.859 13.757 1.00 31.30 H new ATOM 0 HD3 ARG A 62 7.051 0.342 13.164 1.00 31.30 H new ATOM 0 HE ARG A 62 4.767 1.743 14.104 1.00 33.30 H new ATOM 0 HH11 ARG A 62 7.356 -0.320 15.347 1.00 14.00 H new ATOM 0 HH12 ARG A 62 7.339 0.429 16.947 1.00 14.00 H new ATOM 0 HH21 ARG A 62 4.756 2.695 16.161 1.00 61.20 H new ATOM 0 HH22 ARG A 62 5.875 2.126 17.405 1.00 61.20 H new ATOM 847 N ALA A 63 1.774 -2.606 11.015 1.00 4.34 N ATOM 848 CA ALA A 63 1.225 -3.926 10.733 1.00 15.00 C ATOM 849 C ALA A 63 0.506 -3.945 9.388 1.00 60.00 C ATOM 850 O ALA A 63 0.541 -4.943 8.669 1.00 73.10 O ATOM 851 CB ALA A 63 0.278 -4.352 11.845 1.00 45.50 C ATOM 0 H ALA A 63 1.309 -2.109 11.775 1.00 4.34 H new ATOM 0 HA ALA A 63 2.052 -4.634 10.684 1.00 15.00 H new ATOM 0 HB1 ALA A 63 -0.125 -5.340 11.621 1.00 45.50 H new ATOM 0 HB2 ALA A 63 0.819 -4.386 12.791 1.00 45.50 H new ATOM 0 HB3 ALA A 63 -0.540 -3.635 11.921 1.00 45.50 H new ATOM 857 N LYS A 64 -0.145 -2.836 9.055 1.00 0.32 N ATOM 858 CA LYS A 64 -0.873 -2.725 7.796 1.00 74.10 C ATOM 859 C LYS A 64 0.090 -2.557 6.625 1.00 70.50 C ATOM 860 O LYS A 64 -0.086 -3.169 5.571 1.00 41.50 O ATOM 861 CB LYS A 64 -1.845 -1.545 7.846 1.00 75.40 C ATOM 862 CG LYS A 64 -2.954 -1.714 8.872 1.00 23.20 C ATOM 863 CD LYS A 64 -3.337 -0.384 9.501 1.00 41.40 C ATOM 864 CE LYS A 64 -4.315 0.384 8.628 1.00 61.20 C ATOM 865 NZ LYS A 64 -5.724 -0.035 8.868 1.00 15.20 N ATOM 0 H LYS A 64 -0.184 -2.001 9.639 1.00 0.32 H new ATOM 0 HA LYS A 64 -1.439 -3.645 7.650 1.00 74.10 H new ATOM 0 HB2 LYS A 64 -1.288 -0.636 8.072 1.00 75.40 H new ATOM 0 HB3 LYS A 64 -2.291 -1.410 6.860 1.00 75.40 H new ATOM 0 HG2 LYS A 64 -3.828 -2.157 8.395 1.00 23.20 H new ATOM 0 HG3 LYS A 64 -2.630 -2.406 9.650 1.00 23.20 H new ATOM 0 HD2 LYS A 64 -3.782 -0.558 10.481 1.00 41.40 H new ATOM 0 HD3 LYS A 64 -2.441 0.216 9.660 1.00 41.40 H new ATOM 0 HE2 LYS A 64 -4.216 1.452 8.825 1.00 61.20 H new ATOM 0 HE3 LYS A 64 -4.064 0.228 7.579 1.00 61.20 H new ATOM 0 HZ1 LYS A 64 -6.359 0.513 8.253 1.00 15.20 H new ATOM 0 HZ2 LYS A 64 -5.826 -1.048 8.656 1.00 15.20 H new ATOM 0 HZ3 LYS A 64 -5.973 0.137 9.863 1.00 15.20 H new ATOM 879 N CYS A 65 1.107 -1.723 6.816 1.00 1.05 N ATOM 880 CA CYS A 65 2.098 -1.475 5.776 1.00 50.40 C ATOM 881 C CYS A 65 2.814 -2.764 5.386 1.00 44.20 C ATOM 882 O CYS A 65 3.221 -2.937 4.238 1.00 44.00 O ATOM 883 CB CYS A 65 3.115 -0.435 6.249 1.00 23.30 C ATOM 884 SG CYS A 65 2.667 1.271 5.853 1.00 20.10 S ATOM 0 H CYS A 65 1.266 -1.208 7.682 1.00 1.05 H new ATOM 0 HA CYS A 65 1.578 -1.091 4.898 1.00 50.40 H new ATOM 0 HB2 CYS A 65 3.236 -0.526 7.328 1.00 23.30 H new ATOM 0 HB3 CYS A 65 4.083 -0.659 5.800 1.00 23.30 H new ATOM 0 HG CYS A 65 1.797 1.278 4.887 1.00 20.10 H new ATOM 890 N THR A 66 2.963 -3.666 6.351 1.00 42.10 N ATOM 891 CA THR A 66 3.629 -4.940 6.108 1.00 23.40 C ATOM 892 C THR A 66 2.665 -5.951 5.496 1.00 53.50 C ATOM 893 O THR A 66 3.067 -6.812 4.713 1.00 0.01 O ATOM 894 CB THR A 66 4.206 -5.494 7.412 1.00 55.30 C ATOM 895 OG1 THR A 66 4.906 -6.703 7.177 1.00 2.30 O ATOM 896 CG2 THR A 66 3.153 -5.770 8.463 1.00 25.50 C ATOM 0 H THR A 66 2.632 -3.538 7.307 1.00 42.10 H new ATOM 0 HA THR A 66 4.442 -4.767 5.403 1.00 23.40 H new ATOM 0 HB THR A 66 4.873 -4.717 7.785 1.00 55.30 H new ATOM 0 HG1 THR A 66 5.269 -7.041 8.022 1.00 2.30 H new ATOM 0 HG21 THR A 66 3.630 -6.161 9.362 1.00 25.50 H new ATOM 0 HG22 THR A 66 2.628 -4.846 8.703 1.00 25.50 H new ATOM 0 HG23 THR A 66 2.442 -6.503 8.082 1.00 25.50 H new ATOM 904 N GLU A 67 1.391 -5.840 5.858 1.00 64.20 N ATOM 905 CA GLU A 67 0.369 -6.745 5.344 1.00 21.30 C ATOM 906 C GLU A 67 0.197 -6.572 3.838 1.00 23.30 C ATOM 907 O GLU A 67 0.225 -7.545 3.084 1.00 23.00 O ATOM 908 CB GLU A 67 -0.964 -6.498 6.053 1.00 20.20 C ATOM 909 CG GLU A 67 -2.076 -7.429 5.599 1.00 0.15 C ATOM 910 CD GLU A 67 -2.310 -8.571 6.569 1.00 63.50 C ATOM 911 OE1 GLU A 67 -1.365 -9.352 6.807 1.00 34.40 O ATOM 912 OE2 GLU A 67 -3.440 -8.685 7.090 1.00 21.20 O ATOM 0 H GLU A 67 1.042 -5.133 6.505 1.00 64.20 H new ATOM 0 HA GLU A 67 0.693 -7.767 5.540 1.00 21.30 H new ATOM 0 HB2 GLU A 67 -0.821 -6.613 7.127 1.00 20.20 H new ATOM 0 HB3 GLU A 67 -1.272 -5.467 5.881 1.00 20.20 H new ATOM 0 HG2 GLU A 67 -2.998 -6.859 5.484 1.00 0.15 H new ATOM 0 HG3 GLU A 67 -1.828 -7.835 4.618 1.00 0.15 H new ATOM 919 N TYR A 68 0.020 -5.327 3.407 1.00 43.10 N ATOM 920 CA TYR A 68 -0.157 -5.027 1.991 1.00 14.50 C ATOM 921 C TYR A 68 1.139 -5.257 1.220 1.00 4.30 C ATOM 922 O TYR A 68 1.123 -5.754 0.094 1.00 12.50 O ATOM 923 CB TYR A 68 -0.622 -3.581 1.809 1.00 11.00 C ATOM 924 CG TYR A 68 -1.882 -3.248 2.577 1.00 11.20 C ATOM 925 CD1 TYR A 68 -3.044 -3.988 2.397 1.00 41.10 C ATOM 926 CD2 TYR A 68 -1.908 -2.194 3.482 1.00 63.20 C ATOM 927 CE1 TYR A 68 -4.197 -3.687 3.097 1.00 73.30 C ATOM 928 CE2 TYR A 68 -3.057 -1.887 4.186 1.00 24.20 C ATOM 929 CZ TYR A 68 -4.198 -2.636 3.990 1.00 64.10 C ATOM 930 OH TYR A 68 -5.344 -2.333 4.689 1.00 32.10 O ATOM 0 H TYR A 68 -0.005 -4.510 4.018 1.00 43.10 H new ATOM 0 HA TYR A 68 -0.918 -5.699 1.595 1.00 14.50 H new ATOM 0 HB2 TYR A 68 0.175 -2.909 2.127 1.00 11.00 H new ATOM 0 HB3 TYR A 68 -0.793 -3.394 0.749 1.00 11.00 H new ATOM 0 HD1 TYR A 68 -3.046 -4.812 1.699 1.00 41.10 H new ATOM 0 HD2 TYR A 68 -1.016 -1.605 3.638 1.00 63.20 H new ATOM 0 HE1 TYR A 68 -5.092 -4.272 2.946 1.00 73.30 H new ATOM 0 HE2 TYR A 68 -3.061 -1.065 4.886 1.00 24.20 H new ATOM 0 HH TYR A 68 -5.176 -1.567 5.276 1.00 32.10 H new ATOM 940 N LEU A 69 2.259 -4.892 1.835 1.00 53.20 N ATOM 941 CA LEU A 69 3.565 -5.059 1.206 1.00 65.30 C ATOM 942 C LEU A 69 3.837 -6.528 0.900 1.00 51.40 C ATOM 943 O LEU A 69 4.386 -6.862 -0.150 1.00 1.41 O ATOM 944 CB LEU A 69 4.665 -4.503 2.112 1.00 15.00 C ATOM 945 CG LEU A 69 4.945 -3.008 1.947 1.00 65.40 C ATOM 946 CD1 LEU A 69 5.898 -2.521 3.028 1.00 74.50 C ATOM 947 CD2 LEU A 69 5.512 -2.722 0.565 1.00 2.50 C ATOM 0 H LEU A 69 2.289 -4.479 2.767 1.00 53.20 H new ATOM 0 HA LEU A 69 3.562 -4.505 0.267 1.00 65.30 H new ATOM 0 HB2 LEU A 69 4.391 -4.694 3.150 1.00 15.00 H new ATOM 0 HB3 LEU A 69 5.586 -5.053 1.919 1.00 15.00 H new ATOM 0 HG LEU A 69 4.004 -2.467 2.051 1.00 65.40 H new ATOM 0 HD11 LEU A 69 6.086 -1.456 2.895 1.00 74.50 H new ATOM 0 HD12 LEU A 69 5.453 -2.691 4.009 1.00 74.50 H new ATOM 0 HD13 LEU A 69 6.839 -3.067 2.956 1.00 74.50 H new ATOM 0 HD21 LEU A 69 5.705 -1.654 0.465 1.00 2.50 H new ATOM 0 HD22 LEU A 69 6.443 -3.273 0.432 1.00 2.50 H new ATOM 0 HD23 LEU A 69 4.795 -3.034 -0.194 1.00 2.50 H new ATOM 959 N ASP A 70 3.450 -7.402 1.824 1.00 44.00 N ATOM 960 CA ASP A 70 3.652 -8.836 1.652 1.00 74.40 C ATOM 961 C ASP A 70 2.817 -9.368 0.492 1.00 10.20 C ATOM 962 O ASP A 70 3.280 -10.190 -0.290 1.00 2.10 O ATOM 963 CB ASP A 70 3.293 -9.580 2.939 1.00 61.10 C ATOM 964 CG ASP A 70 3.938 -10.950 3.014 1.00 42.30 C ATOM 965 OD1 ASP A 70 5.183 -11.010 3.081 1.00 33.50 O ATOM 966 OD2 ASP A 70 3.198 -11.950 3.006 1.00 13.10 O ATOM 0 H ASP A 70 2.995 -7.142 2.699 1.00 44.00 H new ATOM 0 HA ASP A 70 4.705 -9.005 1.425 1.00 74.40 H new ATOM 0 HB2 ASP A 70 3.606 -8.986 3.798 1.00 61.10 H new ATOM 0 HB3 ASP A 70 2.210 -9.687 3.003 1.00 61.10 H new ATOM 971 N ARG A 71 1.583 -8.885 0.388 1.00 51.50 N ATOM 972 CA ARG A 71 0.683 -9.312 -0.677 1.00 64.30 C ATOM 973 C ARG A 71 1.152 -8.788 -2.030 1.00 22.10 C ATOM 974 O ARG A 71 1.281 -9.547 -2.990 1.00 31.50 O ATOM 975 CB ARG A 71 -0.740 -8.827 -0.395 1.00 43.20 C ATOM 976 CG ARG A 71 -1.816 -9.694 -1.028 1.00 2.32 C ATOM 977 CD ARG A 71 -3.202 -9.314 -0.532 1.00 54.10 C ATOM 978 NE ARG A 71 -4.255 -10.010 -1.260 1.00 2.40 N ATOM 979 CZ ARG A 71 -5.514 -10.110 -0.835 1.00 32.10 C ATOM 980 NH1 ARG A 71 -5.879 -9.548 0.310 1.00 65.40 N ATOM 981 NH2 ARG A 71 -6.409 -10.760 -1.558 1.00 34.40 N ATOM 0 H ARG A 71 1.184 -8.198 1.028 1.00 51.50 H new ATOM 0 HA ARG A 71 0.689 -10.402 -0.708 1.00 64.30 H new ATOM 0 HB2 ARG A 71 -0.897 -8.797 0.683 1.00 43.20 H new ATOM 0 HB3 ARG A 71 -0.846 -7.806 -0.761 1.00 43.20 H new ATOM 0 HG2 ARG A 71 -1.776 -9.591 -2.112 1.00 2.32 H new ATOM 0 HG3 ARG A 71 -1.621 -10.742 -0.799 1.00 2.32 H new ATOM 0 HD2 ARG A 71 -3.282 -9.545 0.530 1.00 54.10 H new ATOM 0 HD3 ARG A 71 -3.341 -8.238 -0.635 1.00 54.10 H new ATOM 0 HE ARG A 71 -4.014 -10.447 -2.149 1.00 2.40 H new ATOM 0 HH11 ARG A 71 -5.195 -9.037 0.868 1.00 65.40 H new ATOM 0 HH12 ARG A 71 -6.844 -9.627 0.632 1.00 65.40 H new ATOM 0 HH21 ARG A 71 -6.137 -11.187 -2.444 1.00 34.40 H new ATOM 0 HH22 ARG A 71 -7.372 -10.835 -1.230 1.00 34.40 H new ATOM 995 N ALA A 72 1.407 -7.485 -2.098 1.00 10.40 N ATOM 996 CA ALA A 72 1.862 -6.859 -3.333 1.00 3.32 C ATOM 997 C ALA A 72 3.234 -7.385 -3.742 1.00 2.22 C ATOM 998 O ALA A 72 3.531 -7.516 -4.929 1.00 52.00 O ATOM 999 CB ALA A 72 1.901 -5.347 -3.175 1.00 73.40 C ATOM 0 H ALA A 72 1.306 -6.843 -1.312 1.00 10.40 H new ATOM 0 HA ALA A 72 1.154 -7.113 -4.122 1.00 3.32 H new ATOM 0 HB1 ALA A 72 2.243 -4.893 -4.105 1.00 73.40 H new ATOM 0 HB2 ALA A 72 0.902 -4.980 -2.937 1.00 73.40 H new ATOM 0 HB3 ALA A 72 2.586 -5.083 -2.369 1.00 73.40 H new ATOM 1005 N GLU A 73 4.066 -7.686 -2.750 1.00 31.50 N ATOM 1006 CA GLU A 73 5.407 -8.198 -3.006 1.00 73.40 C ATOM 1007 C GLU A 73 5.349 -9.513 -3.777 1.00 44.20 C ATOM 1008 O GLU A 73 6.073 -9.703 -4.754 1.00 1.43 O ATOM 1009 CB GLU A 73 6.159 -8.398 -1.689 1.00 75.50 C ATOM 1010 CG GLU A 73 6.901 -7.158 -1.217 1.00 53.20 C ATOM 1011 CD GLU A 73 8.392 -7.235 -1.480 1.00 72.50 C ATOM 1012 OE1 GLU A 73 8.777 -7.534 -2.630 1.00 74.10 O ATOM 1013 OE2 GLU A 73 9.174 -6.996 -0.537 1.00 44.00 O ATOM 0 H GLU A 73 3.835 -7.584 -1.762 1.00 31.50 H new ATOM 0 HA GLU A 73 5.939 -7.465 -3.613 1.00 73.40 H new ATOM 0 HB2 GLU A 73 5.451 -8.702 -0.919 1.00 75.50 H new ATOM 0 HB3 GLU A 73 6.871 -9.214 -1.808 1.00 75.50 H new ATOM 0 HG2 GLU A 73 6.492 -6.281 -1.719 1.00 53.20 H new ATOM 0 HG3 GLU A 73 6.731 -7.022 -0.149 1.00 53.20 H new ATOM 1020 N LYS A 74 4.484 -10.410 -3.330 1.00 72.20 N ATOM 1021 CA LYS A 74 4.331 -11.710 -3.978 1.00 53.00 C ATOM 1022 C LYS A 74 3.625 -11.570 -5.322 1.00 12.10 C ATOM 1023 O LYS A 74 3.958 -12.260 -6.287 1.00 60.10 O ATOM 1024 CB LYS A 74 3.547 -12.670 -3.076 1.00 35.30 C ATOM 1025 CG LYS A 74 4.426 -13.460 -2.127 1.00 42.20 C ATOM 1026 CD LYS A 74 3.829 -14.830 -1.833 1.00 33.50 C ATOM 1027 CE LYS A 74 3.906 -15.740 -3.045 1.00 71.10 C ATOM 1028 NZ LYS A 74 2.769 -16.700 -3.090 1.00 1.40 N ATOM 0 H LYS A 74 3.877 -10.265 -2.523 1.00 72.20 H new ATOM 0 HA LYS A 74 5.327 -12.117 -4.150 1.00 53.00 H new ATOM 0 HB2 LYS A 74 2.820 -12.100 -2.497 1.00 35.30 H new ATOM 0 HB3 LYS A 74 2.984 -13.364 -3.700 1.00 35.30 H new ATOM 0 HG2 LYS A 74 5.419 -13.579 -2.561 1.00 42.20 H new ATOM 0 HG3 LYS A 74 4.549 -12.907 -1.196 1.00 42.20 H new ATOM 0 HD2 LYS A 74 4.359 -15.288 -0.998 1.00 33.50 H new ATOM 0 HD3 LYS A 74 2.789 -14.717 -1.527 1.00 33.50 H new ATOM 0 HE2 LYS A 74 3.908 -15.137 -3.953 1.00 71.10 H new ATOM 0 HE3 LYS A 74 4.846 -16.291 -3.026 1.00 71.10 H new ATOM 0 HZ1 LYS A 74 2.858 -17.304 -3.932 1.00 1.40 H new ATOM 0 HZ2 LYS A 74 2.781 -17.293 -2.236 1.00 1.40 H new ATOM 0 HZ3 LYS A 74 1.873 -16.175 -3.134 1.00 1.40 H new ATOM 1042 N LEU A 75 2.647 -10.670 -5.379 1.00 2.52 N ATOM 1043 CA LEU A 75 1.894 -10.430 -6.606 1.00 54.30 C ATOM 1044 C LEU A 75 2.820 -10.000 -7.739 1.00 71.40 C ATOM 1045 O LEU A 75 2.800 -10.580 -8.825 1.00 0.22 O ATOM 1046 CB LEU A 75 0.817 -9.375 -6.372 1.00 43.30 C ATOM 1047 CG LEU A 75 -0.623 -9.879 -6.473 1.00 12.30 C ATOM 1048 CD1 LEU A 75 -1.099 -10.400 -5.129 1.00 42.20 C ATOM 1049 CD2 LEU A 75 -1.541 -8.772 -6.968 1.00 25.00 C ATOM 0 H LEU A 75 2.357 -10.094 -4.588 1.00 2.52 H new ATOM 0 HA LEU A 75 1.412 -11.364 -6.896 1.00 54.30 H new ATOM 0 HB2 LEU A 75 0.965 -8.942 -5.383 1.00 43.30 H new ATOM 0 HB3 LEU A 75 0.955 -8.572 -7.096 1.00 43.30 H new ATOM 0 HG LEU A 75 -0.651 -10.698 -7.191 1.00 12.30 H new ATOM 0 HD11 LEU A 75 -2.126 -10.755 -5.219 1.00 42.20 H new ATOM 0 HD12 LEU A 75 -0.458 -11.222 -4.810 1.00 42.20 H new ATOM 0 HD13 LEU A 75 -1.056 -9.598 -4.392 1.00 42.20 H new ATOM 0 HD21 LEU A 75 -2.562 -9.148 -7.034 1.00 25.00 H new ATOM 0 HD22 LEU A 75 -1.508 -7.933 -6.273 1.00 25.00 H new ATOM 0 HD23 LEU A 75 -1.212 -8.440 -7.953 1.00 25.00 H new ATOM 1061 N LYS A 76 3.632 -8.990 -7.477 1.00 12.10 N ATOM 1062 CA LYS A 76 4.568 -8.484 -8.473 1.00 14.20 C ATOM 1063 C LYS A 76 5.627 -9.530 -8.806 1.00 63.50 C ATOM 1064 O LYS A 76 6.172 -9.547 -9.910 1.00 22.10 O ATOM 1065 CB LYS A 76 5.239 -7.204 -7.969 1.00 54.30 C ATOM 1066 CG LYS A 76 6.083 -7.411 -6.722 1.00 1.43 C ATOM 1067 CD LYS A 76 6.581 -6.089 -6.162 1.00 63.30 C ATOM 1068 CE LYS A 76 7.742 -6.293 -5.201 1.00 4.33 C ATOM 1069 NZ LYS A 76 7.838 -5.192 -4.204 1.00 73.40 N ATOM 0 H LYS A 76 3.664 -8.502 -6.582 1.00 12.10 H new ATOM 0 HA LYS A 76 4.008 -8.259 -9.381 1.00 14.20 H new ATOM 0 HB2 LYS A 76 5.869 -6.798 -8.761 1.00 54.30 H new ATOM 0 HB3 LYS A 76 4.471 -6.460 -7.759 1.00 54.30 H new ATOM 0 HG2 LYS A 76 5.495 -7.930 -5.965 1.00 1.43 H new ATOM 0 HG3 LYS A 76 6.933 -8.051 -6.959 1.00 1.43 H new ATOM 0 HD2 LYS A 76 6.894 -5.441 -6.980 1.00 63.30 H new ATOM 0 HD3 LYS A 76 5.766 -5.581 -5.647 1.00 63.30 H new ATOM 0 HE2 LYS A 76 7.620 -7.243 -4.681 1.00 4.33 H new ATOM 0 HE3 LYS A 76 8.673 -6.355 -5.764 1.00 4.33 H new ATOM 0 HZ1 LYS A 76 8.489 -5.469 -3.442 1.00 73.40 H new ATOM 0 HZ2 LYS A 76 8.195 -4.333 -4.669 1.00 73.40 H new ATOM 0 HZ3 LYS A 76 6.897 -5.003 -3.804 1.00 73.40 H new ATOM 1083 N GLU A 77 5.915 -10.400 -7.843 1.00 3.33 N ATOM 1084 CA GLU A 77 6.910 -11.450 -8.030 1.00 14.20 C ATOM 1085 C GLU A 77 6.577 -12.310 -9.244 1.00 63.00 C ATOM 1086 O GLU A 77 7.397 -12.460 -10.150 1.00 51.00 O ATOM 1087 CB GLU A 77 7.000 -12.320 -6.779 1.00 11.40 C ATOM 1088 CG GLU A 77 8.368 -12.950 -6.573 1.00 74.50 C ATOM 1089 CD GLU A 77 8.441 -13.790 -5.311 1.00 35.50 C ATOM 1090 OE1 GLU A 77 8.145 -13.250 -4.224 1.00 35.10 O ATOM 1091 OE2 GLU A 77 8.795 -14.980 -5.409 1.00 14.40 O ATOM 0 H GLU A 77 5.473 -10.398 -6.924 1.00 3.33 H new ATOM 0 HA GLU A 77 7.875 -10.975 -8.204 1.00 14.20 H new ATOM 0 HB2 GLU A 77 6.753 -11.714 -5.907 1.00 11.40 H new ATOM 0 HB3 GLU A 77 6.251 -13.110 -6.841 1.00 11.40 H new ATOM 0 HG2 GLU A 77 8.610 -13.573 -7.434 1.00 74.50 H new ATOM 0 HG3 GLU A 77 9.122 -12.164 -6.526 1.00 74.50 H new ATOM 1098 N TYR A 78 5.372 -12.870 -9.256 1.00 45.10 N ATOM 1099 CA TYR A 78 4.939 -13.720 -10.360 1.00 55.10 C ATOM 1100 C TYR A 78 4.601 -12.880 -11.590 1.00 51.40 C ATOM 1101 O TYR A 78 4.864 -13.290 -12.720 1.00 11.30 O ATOM 1102 CB TYR A 78 3.733 -14.570 -9.940 1.00 22.10 C ATOM 1103 CG TYR A 78 2.403 -13.850 -10.010 1.00 21.10 C ATOM 1104 CD1 TYR A 78 1.754 -13.670 -11.220 1.00 44.50 C ATOM 1105 CD2 TYR A 78 1.797 -13.350 -8.866 1.00 64.10 C ATOM 1106 CE1 TYR A 78 0.540 -13.010 -11.290 1.00 63.30 C ATOM 1107 CE2 TYR A 78 0.582 -12.690 -8.929 1.00 63.30 C ATOM 1108 CZ TYR A 78 -0.042 -12.530 -10.140 1.00 41.10 C ATOM 1109 OH TYR A 78 -1.251 -11.880 -10.210 1.00 51.00 O ATOM 0 H TYR A 78 4.680 -12.751 -8.516 1.00 45.10 H new ATOM 0 HA TYR A 78 5.760 -14.388 -10.620 1.00 55.10 H new ATOM 0 HB2 TYR A 78 3.688 -15.453 -10.577 1.00 22.10 H new ATOM 0 HB3 TYR A 78 3.889 -14.920 -8.920 1.00 22.10 H new ATOM 0 HD1 TYR A 78 2.203 -14.052 -12.125 1.00 44.50 H new ATOM 0 HD2 TYR A 78 2.282 -13.478 -7.910 1.00 64.10 H new ATOM 0 HE1 TYR A 78 0.052 -12.872 -12.243 1.00 63.30 H new ATOM 0 HE2 TYR A 78 0.127 -12.303 -8.029 1.00 63.30 H new ATOM 0 HH TYR A 78 -1.841 -12.208 -9.499 1.00 51.00 H new ATOM 1119 N LEU A 79 4.017 -11.710 -11.360 1.00 31.40 N ATOM 1120 CA LEU A 79 3.642 -10.820 -12.450 1.00 24.20 C ATOM 1121 C LEU A 79 4.865 -10.410 -13.270 1.00 53.50 C ATOM 1122 O LEU A 79 4.791 -10.290 -14.490 1.00 4.43 O ATOM 1123 CB LEU A 79 2.951 -9.573 -11.900 1.00 42.00 C ATOM 1124 CG LEU A 79 1.465 -9.743 -11.580 1.00 73.50 C ATOM 1125 CD1 LEU A 79 0.969 -8.598 -10.710 1.00 52.50 C ATOM 1126 CD2 LEU A 79 0.652 -9.832 -12.860 1.00 50.30 C ATOM 0 H LEU A 79 3.793 -11.357 -10.430 1.00 31.40 H new ATOM 0 HA LEU A 79 2.953 -11.358 -13.101 1.00 24.20 H new ATOM 0 HB2 LEU A 79 3.469 -9.260 -10.993 1.00 42.00 H new ATOM 0 HB3 LEU A 79 3.061 -8.766 -12.625 1.00 42.00 H new ATOM 0 HG LEU A 79 1.338 -10.673 -11.026 1.00 73.50 H new ATOM 0 HD11 LEU A 79 -0.090 -8.738 -10.494 1.00 52.50 H new ATOM 0 HD12 LEU A 79 1.531 -8.581 -9.776 1.00 52.50 H new ATOM 0 HD13 LEU A 79 1.110 -7.654 -11.236 1.00 52.50 H new ATOM 0 HD21 LEU A 79 -0.403 -9.953 -12.613 1.00 50.30 H new ATOM 0 HD22 LEU A 79 0.787 -8.920 -13.441 1.00 50.30 H new ATOM 0 HD23 LEU A 79 0.988 -10.688 -13.446 1.00 50.30 H new ATOM 1138 N LYS A 80 5.989 -10.220 -12.580 1.00 30.50 N ATOM 1139 CA LYS A 80 7.228 -9.835 -13.250 1.00 33.10 C ATOM 1140 C LYS A 80 7.906 -11.040 -13.880 1.00 4.54 C ATOM 1141 O LYS A 80 8.549 -10.930 -14.930 1.00 54.20 O ATOM 1142 CB LYS A 80 8.177 -9.166 -12.250 1.00 71.30 C ATOM 1143 CG LYS A 80 8.044 -7.653 -12.210 1.00 20.30 C ATOM 1144 CD LYS A 80 6.798 -7.225 -11.450 1.00 52.00 C ATOM 1145 CE LYS A 80 6.312 -5.858 -11.900 1.00 1.23 C ATOM 1146 NZ LYS A 80 5.277 -5.961 -12.970 1.00 14.20 N ATOM 0 H LYS A 80 6.066 -10.325 -11.568 1.00 30.50 H new ATOM 0 HA LYS A 80 6.981 -9.129 -14.043 1.00 33.10 H new ATOM 0 HB2 LYS A 80 7.985 -9.566 -11.255 1.00 71.30 H new ATOM 0 HB3 LYS A 80 9.204 -9.426 -12.505 1.00 71.30 H new ATOM 0 HG2 LYS A 80 8.926 -7.221 -11.738 1.00 20.30 H new ATOM 0 HG3 LYS A 80 8.004 -7.263 -13.227 1.00 20.30 H new ATOM 0 HD2 LYS A 80 6.008 -7.961 -11.601 1.00 52.00 H new ATOM 0 HD3 LYS A 80 7.012 -7.202 -10.382 1.00 52.00 H new ATOM 0 HE2 LYS A 80 5.900 -5.320 -11.046 1.00 1.23 H new ATOM 0 HE3 LYS A 80 7.157 -5.275 -12.267 1.00 1.23 H new ATOM 0 HZ1 LYS A 80 4.971 -5.007 -13.250 1.00 14.20 H new ATOM 0 HZ2 LYS A 80 5.678 -6.452 -13.795 1.00 14.20 H new ATOM 0 HZ3 LYS A 80 4.460 -6.496 -12.612 1.00 14.20 H new ATOM 1160 N ASN A 81 7.758 -12.200 -13.250 1.00 14.20 N ATOM 1161 CA ASN A 81 8.357 -13.430 -13.750 1.00 21.40 C ATOM 1162 C ASN A 81 7.687 -13.870 -15.050 1.00 22.30 C ATOM 1163 O ASN A 81 8.360 -14.230 -16.010 1.00 64.30 O ATOM 1164 CB ASN A 81 8.246 -14.540 -12.700 1.00 40.40 C ATOM 1165 CG ASN A 81 9.396 -14.520 -11.710 1.00 2.54 C ATOM 1166 OD1 ASN A 81 10.506 -14.100 -12.040 1.00 1.31 O ATOM 1167 ND2 ASN A 81 9.134 -14.970 -10.490 1.00 14.00 N ATOM 0 H ASN A 81 7.225 -12.313 -12.388 1.00 14.20 H new ATOM 0 HA ASN A 81 9.411 -13.238 -13.953 1.00 21.40 H new ATOM 0 HB2 ASN A 81 7.305 -14.433 -12.161 1.00 40.40 H new ATOM 0 HB3 ASN A 81 8.218 -15.508 -13.201 1.00 40.40 H new ATOM 0 HD21 ASN A 81 9.867 -14.977 -9.781 1.00 14.00 H new ATOM 0 HD22 ASN A 81 8.199 -15.309 -10.261 1.00 14.00 H new TER 1174 ASN A 81