USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 750 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 93 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 97 ASN : amide:sc= -11.4! C(o=-11!,f=-12!) USER MOD Set 2.1: A 81 LYS NZ :NH3+ 169:sc= -0.47! (180deg=-1.83!) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= 0.269 USER MOD Set 3.1: A 51 THR OG1 : rot 35:sc= -7.98! USER MOD Set 3.2: A 103 THR OG1 : rot 166:sc= -3.05! USER MOD Set 4.1: A 48 SER OG : rot -20:sc= -6.77! USER MOD Set 4.2: A 63 HIS :FLIP no HD1:sc= -26.4! C(o=-39!,f=-33!) USER MOD Set 5.1: A 46 THR OG1 : rot 96:sc= 0.0999 USER MOD Set 5.2: A 65 HIS :FLIP no HD1:sc= -0.6 F(o=-8.9!,f=-0.5) USER MOD Set 6.1: A 5 ASN :FLIP amide:sc= -6.26! C(o=-13!,f=-9.3!) USER MOD Set 6.2: A 9 TYR OH : rot -59:sc= -3.03! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 109:sc= -4.09! USER MOD Single : A 13 ASN :FLIP amide:sc= -7.74! C(o=-10!,f=-7.7!) USER MOD Single : A 14 LYS NZ :NH3+ -127:sc= -0.298 (180deg=-1.26!) USER MOD Single : A 15 SER OG : rot -47:sc= 0.708 USER MOD Single : A 17 SER OG : rot 98:sc= 0.105 USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= -2.91! (180deg=-3.03!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.78 USER MOD Single : A 30 LYS NZ :NH3+ -173:sc= -3.18! (180deg=-4.35!) USER MOD Single : A 35 MET CE :methyl -151:sc= -39.7! (180deg=-42.5!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0791 USER MOD Single : A 62 LYS NZ :NH3+ 137:sc= -5.27! (180deg=-8.14!) USER MOD Single : A 64 TYR OH : rot -101:sc= -7.47! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 77:sc= 0.808 USER MOD Single : A 76 TYR OH : rot 49:sc= 0.877 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -2.85 K(o=-2.9,f=-3.4!) USER MOD Single : A 94 HIS :FLIP no HE2:sc= -20.3! C(o=-23!,f=-20!) USER MOD Single : A 95 GLN : amide:sc= -1.75 X(o=-1.8,f=-1.8) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -1:sc= -13! USER MOD ----------------------------------------------------------------- ATOM 21 N ASN A 5 -0.974 12.542 8.006 1.00 0.00 N ATOM 22 CA ASN A 5 -2.238 11.887 8.292 1.00 0.00 C ATOM 23 C ASN A 5 -2.188 10.429 7.866 1.00 0.00 C ATOM 24 O ASN A 5 -2.547 9.532 8.627 1.00 0.00 O ATOM 25 CB ASN A 5 -3.387 12.605 7.581 1.00 0.00 C ATOM 26 CG ASN A 5 -4.690 11.856 7.730 1.00 0.00 C ATOM 27 OD1 ASN A 5 -4.698 10.889 8.635 1.00 0.00 O flip ATOM 28 ND2 ASN A 5 -5.671 12.141 7.044 1.00 0.00 N flip ATOM 0 HA ASN A 5 -2.412 11.932 9.367 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -3.496 13.610 7.989 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -3.149 12.714 6.523 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -5.613 12.895 6.360 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -6.542 11.623 7.159 1.00 0.00 H new ATOM 35 N LEU A 6 -1.736 10.211 6.647 1.00 0.00 N ATOM 36 CA LEU A 6 -1.626 8.868 6.092 1.00 0.00 C ATOM 37 C LEU A 6 -0.558 8.060 6.824 1.00 0.00 C ATOM 38 O LEU A 6 -0.793 6.929 7.248 1.00 0.00 O ATOM 39 CB LEU A 6 -1.294 8.949 4.602 1.00 0.00 C ATOM 40 CG LEU A 6 -1.376 7.625 3.847 1.00 0.00 C ATOM 41 CD1 LEU A 6 -2.772 7.425 3.284 1.00 0.00 C ATOM 42 CD2 LEU A 6 -0.340 7.580 2.735 1.00 0.00 C ATOM 0 H LEU A 6 -1.435 10.952 6.013 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.583 8.362 6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.974 9.660 4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.287 9.351 4.491 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.164 6.814 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.816 6.477 2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.495 7.415 4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.009 8.240 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.413 6.629 2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.520 8.397 2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.657 7.682 3.163 1.00 0.00 H new ATOM 54 N GLU A 7 0.614 8.659 6.957 1.00 0.00 N ATOM 55 CA GLU A 7 1.746 8.024 7.623 1.00 0.00 C ATOM 56 C GLU A 7 1.416 7.677 9.071 1.00 0.00 C ATOM 57 O GLU A 7 2.144 6.922 9.718 1.00 0.00 O ATOM 58 CB GLU A 7 2.967 8.944 7.579 1.00 0.00 C ATOM 59 CG GLU A 7 3.362 9.497 8.937 1.00 0.00 C ATOM 60 CD GLU A 7 4.230 10.737 8.832 1.00 0.00 C ATOM 61 OE1 GLU A 7 3.672 11.836 8.636 1.00 0.00 O ATOM 62 OE2 GLU A 7 5.467 10.606 8.944 1.00 0.00 O ATOM 0 H GLU A 7 0.810 9.597 6.608 1.00 0.00 H new ATOM 0 HA GLU A 7 1.968 7.098 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.810 8.395 7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.761 9.775 6.904 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.462 9.735 9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.897 8.730 9.496 1.00 0.00 H new ATOM 69 N THR A 8 0.325 8.236 9.581 1.00 0.00 N ATOM 70 CA THR A 8 -0.084 7.985 10.958 1.00 0.00 C ATOM 71 C THR A 8 -1.075 6.831 11.041 1.00 0.00 C ATOM 72 O THR A 8 -1.511 6.455 12.130 1.00 0.00 O ATOM 73 CB THR A 8 -0.699 9.246 11.568 1.00 0.00 C ATOM 74 OG1 THR A 8 -2.073 9.048 11.848 1.00 0.00 O ATOM 75 CG2 THR A 8 -0.582 10.461 10.673 1.00 0.00 C ATOM 0 H THR A 8 -0.291 8.864 9.064 1.00 0.00 H new ATOM 0 HA THR A 8 0.806 7.710 11.524 1.00 0.00 H new ATOM 0 HB THR A 8 -0.133 9.432 12.481 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.448 9.865 12.239 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.038 11.320 11.165 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.470 10.670 10.479 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.094 10.269 9.730 1.00 0.00 H new ATOM 83 N TYR A 9 -1.427 6.269 9.892 1.00 0.00 N ATOM 84 CA TYR A 9 -2.365 5.163 9.846 1.00 0.00 C ATOM 85 C TYR A 9 -1.653 3.837 10.074 1.00 0.00 C ATOM 86 O TYR A 9 -0.425 3.764 10.043 1.00 0.00 O ATOM 87 CB TYR A 9 -3.102 5.136 8.510 1.00 0.00 C ATOM 88 CG TYR A 9 -4.064 6.287 8.341 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.621 7.518 7.887 1.00 0.00 C ATOM 90 CD2 TYR A 9 -5.411 6.141 8.644 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.493 8.577 7.736 1.00 0.00 C ATOM 92 CE2 TYR A 9 -6.291 7.196 8.498 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.827 8.413 8.043 1.00 0.00 C ATOM 94 OH TYR A 9 -6.695 9.471 7.899 1.00 0.00 O ATOM 0 H TYR A 9 -1.075 6.563 8.981 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.092 5.309 10.645 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -2.373 5.157 7.699 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.649 4.197 8.422 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.576 7.651 7.647 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.776 5.189 8.999 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -4.132 9.530 7.379 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.336 7.069 8.739 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.397 10.218 8.459 1.00 0.00 H new ATOM 104 N GLU A 10 -2.434 2.790 10.303 1.00 0.00 N ATOM 105 CA GLU A 10 -1.882 1.466 10.538 1.00 0.00 C ATOM 106 C GLU A 10 -1.473 0.806 9.232 1.00 0.00 C ATOM 107 O GLU A 10 -1.528 -0.416 9.105 1.00 0.00 O ATOM 108 CB GLU A 10 -2.903 0.583 11.249 1.00 0.00 C ATOM 109 CG GLU A 10 -2.328 -0.737 11.738 1.00 0.00 C ATOM 110 CD GLU A 10 -1.350 -0.559 12.882 1.00 0.00 C ATOM 111 OE1 GLU A 10 -1.793 -0.188 13.990 1.00 0.00 O ATOM 112 OE2 GLU A 10 -0.140 -0.790 12.671 1.00 0.00 O ATOM 0 H GLU A 10 -3.453 2.834 10.331 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.999 1.582 11.167 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.314 1.128 12.099 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -3.731 0.380 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.142 -1.387 12.059 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.826 -1.239 10.911 1.00 0.00 H new ATOM 119 N TRP A 11 -1.079 1.607 8.252 1.00 0.00 N ATOM 120 CA TRP A 11 -0.694 1.052 6.965 1.00 0.00 C ATOM 121 C TRP A 11 0.342 1.898 6.230 1.00 0.00 C ATOM 122 O TRP A 11 1.041 1.387 5.357 1.00 0.00 O ATOM 123 CB TRP A 11 -1.939 0.873 6.100 1.00 0.00 C ATOM 124 CG TRP A 11 -3.045 1.822 6.450 1.00 0.00 C ATOM 125 CD1 TRP A 11 -3.928 1.715 7.486 1.00 0.00 C ATOM 126 CD2 TRP A 11 -3.386 3.024 5.759 1.00 0.00 C ATOM 127 NE1 TRP A 11 -4.786 2.784 7.486 1.00 0.00 N ATOM 128 CE2 TRP A 11 -4.477 3.600 6.431 1.00 0.00 C ATOM 129 CE3 TRP A 11 -2.870 3.668 4.638 1.00 0.00 C ATOM 130 CZ2 TRP A 11 -5.058 4.793 6.013 1.00 0.00 C ATOM 131 CZ3 TRP A 11 -3.447 4.851 4.225 1.00 0.00 C ATOM 132 CH2 TRP A 11 -4.534 5.404 4.913 1.00 0.00 C ATOM 0 H TRP A 11 -1.018 2.623 8.321 1.00 0.00 H new ATOM 0 HA TRP A 11 -0.221 0.089 7.157 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -1.669 1.011 5.053 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -2.301 -0.150 6.203 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -3.948 0.906 8.201 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.533 2.945 8.162 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.032 3.249 4.101 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -5.896 5.221 6.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -3.054 5.359 3.357 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -4.965 6.331 4.566 1.00 0.00 H new ATOM 143 N TYR A 12 0.455 3.179 6.563 1.00 0.00 N ATOM 144 CA TYR A 12 1.424 4.028 5.884 1.00 0.00 C ATOM 145 C TYR A 12 2.824 3.841 6.447 1.00 0.00 C ATOM 146 O TYR A 12 3.106 4.195 7.592 1.00 0.00 O ATOM 147 CB TYR A 12 1.036 5.504 5.953 1.00 0.00 C ATOM 148 CG TYR A 12 1.824 6.350 4.974 1.00 0.00 C ATOM 149 CD1 TYR A 12 2.967 5.844 4.371 1.00 0.00 C ATOM 150 CD2 TYR A 12 1.427 7.637 4.641 1.00 0.00 C ATOM 151 CE1 TYR A 12 3.692 6.589 3.468 1.00 0.00 C ATOM 152 CE2 TYR A 12 2.147 8.393 3.735 1.00 0.00 C ATOM 153 CZ TYR A 12 3.278 7.864 3.150 1.00 0.00 C ATOM 154 OH TYR A 12 3.998 8.613 2.247 1.00 0.00 O ATOM 0 H TYR A 12 -0.099 3.644 7.282 1.00 0.00 H new ATOM 0 HA TYR A 12 1.422 3.719 4.839 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -0.029 5.608 5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.201 5.874 6.965 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.295 4.844 4.615 1.00 0.00 H new ATOM 0 HD2 TYR A 12 0.541 8.055 5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.580 6.176 3.012 1.00 0.00 H new ATOM 0 HE2 TYR A 12 1.825 9.394 3.486 1.00 0.00 H new ATOM 0 HH TYR A 12 3.487 8.703 1.416 1.00 0.00 H new ATOM 164 N ASN A 13 3.697 3.292 5.616 1.00 0.00 N ATOM 165 CA ASN A 13 5.080 3.055 5.988 1.00 0.00 C ATOM 166 C ASN A 13 5.994 4.015 5.223 1.00 0.00 C ATOM 167 O ASN A 13 6.111 3.931 4.001 1.00 0.00 O ATOM 168 CB ASN A 13 5.441 1.601 5.686 1.00 0.00 C ATOM 169 CG ASN A 13 5.959 0.866 6.904 1.00 0.00 C ATOM 170 OD1 ASN A 13 5.139 -0.028 7.441 1.00 0.00 O flip ATOM 171 ND2 ASN A 13 7.079 1.099 7.358 1.00 0.00 N flip ATOM 0 H ASN A 13 3.465 2.999 4.667 1.00 0.00 H new ATOM 0 HA ASN A 13 5.213 3.235 7.055 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.562 1.084 5.301 1.00 0.00 H new ATOM 0 HB3 ASN A 13 6.196 1.573 4.901 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.675 1.796 6.912 1.00 0.00 H new ATOM 0 HD22 ASN A 13 7.411 0.595 8.181 1.00 0.00 H new ATOM 178 N LYS A 14 6.615 4.944 5.946 1.00 0.00 N ATOM 179 CA LYS A 14 7.490 5.937 5.332 1.00 0.00 C ATOM 180 C LYS A 14 8.939 5.460 5.257 1.00 0.00 C ATOM 181 O LYS A 14 9.407 4.718 6.121 1.00 0.00 O ATOM 182 CB LYS A 14 7.419 7.255 6.108 1.00 0.00 C ATOM 183 CG LYS A 14 7.547 8.486 5.228 1.00 0.00 C ATOM 184 CD LYS A 14 8.905 9.149 5.392 1.00 0.00 C ATOM 185 CE LYS A 14 9.063 9.759 6.776 1.00 0.00 C ATOM 186 NZ LYS A 14 9.947 8.936 7.649 1.00 0.00 N ATOM 0 H LYS A 14 6.528 5.029 6.959 1.00 0.00 H new ATOM 0 HA LYS A 14 7.139 6.090 4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.472 7.300 6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.211 7.270 6.856 1.00 0.00 H new ATOM 0 HG2 LYS A 14 7.401 8.206 4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.761 9.198 5.479 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.693 8.414 5.225 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.027 9.924 4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.476 10.763 6.685 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.083 9.859 7.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.456 8.726 8.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.181 8.046 7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.822 9.461 7.851 1.00 0.00 H new ATOM 200 N SER A 15 9.643 5.904 4.218 1.00 0.00 N ATOM 201 CA SER A 15 11.042 5.540 4.018 1.00 0.00 C ATOM 202 C SER A 15 11.238 4.032 4.114 1.00 0.00 C ATOM 203 O SER A 15 12.320 3.556 4.453 1.00 0.00 O ATOM 204 CB SER A 15 11.927 6.246 5.048 1.00 0.00 C ATOM 205 OG SER A 15 13.301 6.058 4.755 1.00 0.00 O ATOM 0 H SER A 15 9.264 6.520 3.499 1.00 0.00 H new ATOM 0 HA SER A 15 11.331 5.860 3.017 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.697 7.311 5.060 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.709 5.861 6.044 1.00 0.00 H new ATOM 0 HG SER A 15 13.467 5.112 4.559 1.00 0.00 H new ATOM 211 N ILE A 16 10.180 3.286 3.822 1.00 0.00 N ATOM 212 CA ILE A 16 10.225 1.837 3.886 1.00 0.00 C ATOM 213 C ILE A 16 10.281 1.217 2.492 1.00 0.00 C ATOM 214 O ILE A 16 11.278 0.596 2.120 1.00 0.00 O ATOM 215 CB ILE A 16 9.001 1.302 4.644 1.00 0.00 C ATOM 216 CG1 ILE A 16 8.293 0.197 3.855 1.00 0.00 C ATOM 217 CG2 ILE A 16 8.041 2.440 4.943 1.00 0.00 C ATOM 218 CD1 ILE A 16 7.072 0.679 3.100 1.00 0.00 C ATOM 0 H ILE A 16 9.277 3.666 3.537 1.00 0.00 H new ATOM 0 HA ILE A 16 11.134 1.557 4.419 1.00 0.00 H new ATOM 0 HB ILE A 16 9.345 0.867 5.582 1.00 0.00 H new ATOM 0 HG12 ILE A 16 8.997 -0.242 3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.996 -0.595 4.542 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.175 2.054 5.481 1.00 0.00 H new ATOM 0 HG22 ILE A 16 8.544 3.189 5.555 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.714 2.895 4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.622 -0.157 2.565 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.349 1.091 3.803 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.366 1.450 2.388 1.00 0.00 H new ATOM 230 N SER A 17 9.206 1.381 1.731 1.00 0.00 N ATOM 231 CA SER A 17 9.127 0.834 0.387 1.00 0.00 C ATOM 232 C SER A 17 8.226 -0.392 0.367 1.00 0.00 C ATOM 233 O SER A 17 8.164 -1.145 1.339 1.00 0.00 O ATOM 234 CB SER A 17 10.521 0.468 -0.125 1.00 0.00 C ATOM 235 OG SER A 17 11.423 1.549 0.033 1.00 0.00 O ATOM 0 H SER A 17 8.374 1.892 2.026 1.00 0.00 H new ATOM 0 HA SER A 17 8.702 1.594 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.893 -0.402 0.416 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.464 0.189 -1.177 1.00 0.00 H new ATOM 0 HG SER A 17 11.950 1.419 0.849 1.00 0.00 H new ATOM 241 N ARG A 18 7.532 -0.594 -0.744 1.00 0.00 N ATOM 242 CA ARG A 18 6.642 -1.731 -0.888 1.00 0.00 C ATOM 243 C ARG A 18 7.409 -3.026 -0.661 1.00 0.00 C ATOM 244 O ARG A 18 6.824 -4.057 -0.326 1.00 0.00 O ATOM 245 CB ARG A 18 6.003 -1.737 -2.277 1.00 0.00 C ATOM 246 CG ARG A 18 6.850 -2.428 -3.333 1.00 0.00 C ATOM 247 CD ARG A 18 7.271 -1.464 -4.430 1.00 0.00 C ATOM 248 NE ARG A 18 8.175 -0.431 -3.932 1.00 0.00 N ATOM 249 CZ ARG A 18 7.768 0.771 -3.533 1.00 0.00 C ATOM 250 NH1 ARG A 18 6.481 1.084 -3.573 1.00 0.00 N ATOM 251 NH2 ARG A 18 8.649 1.659 -3.093 1.00 0.00 N ATOM 0 H ARG A 18 7.570 0.018 -1.559 1.00 0.00 H new ATOM 0 HA ARG A 18 5.852 -1.651 -0.142 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.034 -2.232 -2.220 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.818 -0.709 -2.587 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.736 -2.858 -2.866 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.287 -3.253 -3.769 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.760 -2.018 -5.232 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.386 -0.995 -4.860 1.00 0.00 H new ATOM 0 HE ARG A 18 9.172 -0.642 -3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.801 0.403 -3.910 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.171 2.006 -3.267 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.640 1.421 -3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.335 2.580 -2.787 1.00 0.00 H new ATOM 265 N ASP A 19 8.724 -2.966 -0.848 1.00 0.00 N ATOM 266 CA ASP A 19 9.564 -4.145 -0.661 1.00 0.00 C ATOM 267 C ASP A 19 9.472 -4.631 0.775 1.00 0.00 C ATOM 268 O ASP A 19 9.365 -5.835 1.044 1.00 0.00 O ATOM 269 CB ASP A 19 11.019 -3.818 -1.000 1.00 0.00 C ATOM 270 CG ASP A 19 11.793 -5.036 -1.465 1.00 0.00 C ATOM 271 OD1 ASP A 19 11.159 -5.986 -1.970 1.00 0.00 O ATOM 272 OD2 ASP A 19 13.034 -5.040 -1.324 1.00 0.00 O ATOM 0 H ASP A 19 9.227 -2.123 -1.126 1.00 0.00 H new ATOM 0 HA ASP A 19 9.211 -4.931 -1.328 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.045 -3.056 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 19 11.507 -3.394 -0.122 1.00 0.00 H new ATOM 277 N LYS A 20 9.467 -3.679 1.693 1.00 0.00 N ATOM 278 CA LYS A 20 9.347 -3.994 3.098 1.00 0.00 C ATOM 279 C LYS A 20 7.907 -4.358 3.383 1.00 0.00 C ATOM 280 O LYS A 20 7.619 -5.267 4.159 1.00 0.00 O ATOM 281 CB LYS A 20 9.794 -2.813 3.951 1.00 0.00 C ATOM 282 CG LYS A 20 8.829 -2.474 5.065 1.00 0.00 C ATOM 283 CD LYS A 20 9.398 -1.390 5.965 1.00 0.00 C ATOM 284 CE LYS A 20 10.674 -0.806 5.378 1.00 0.00 C ATOM 285 NZ LYS A 20 11.316 0.170 6.301 1.00 0.00 N ATOM 0 H LYS A 20 9.545 -2.683 1.486 1.00 0.00 H new ATOM 0 HA LYS A 20 9.992 -4.836 3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.770 -3.035 4.382 1.00 0.00 H new ATOM 0 HB3 LYS A 20 9.919 -1.940 3.311 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.882 -2.140 4.642 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.618 -3.367 5.653 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.660 -0.599 6.098 1.00 0.00 H new ATOM 0 HD3 LYS A 20 9.604 -1.803 6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 20 11.374 -1.612 5.158 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.446 -0.315 4.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 12.144 0.594 5.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 10.635 0.917 6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 11.618 -0.319 7.168 1.00 0.00 H new ATOM 299 N ALA A 21 7.007 -3.671 2.697 1.00 0.00 N ATOM 300 CA ALA A 21 5.591 -3.951 2.821 1.00 0.00 C ATOM 301 C ALA A 21 5.352 -5.383 2.378 1.00 0.00 C ATOM 302 O ALA A 21 4.689 -6.164 3.061 1.00 0.00 O ATOM 303 CB ALA A 21 4.778 -2.981 1.979 1.00 0.00 C ATOM 0 H ALA A 21 7.235 -2.916 2.050 1.00 0.00 H new ATOM 0 HA ALA A 21 5.274 -3.826 3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.717 -3.208 2.085 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.967 -1.961 2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.066 -3.078 0.932 1.00 0.00 H new ATOM 309 N GLU A 22 5.943 -5.722 1.236 1.00 0.00 N ATOM 310 CA GLU A 22 5.847 -7.065 0.695 1.00 0.00 C ATOM 311 C GLU A 22 6.589 -8.027 1.605 1.00 0.00 C ATOM 312 O GLU A 22 6.054 -9.062 2.005 1.00 0.00 O ATOM 313 CB GLU A 22 6.426 -7.119 -0.720 1.00 0.00 C ATOM 314 CG GLU A 22 5.936 -5.997 -1.619 1.00 0.00 C ATOM 315 CD GLU A 22 4.810 -5.198 -0.994 1.00 0.00 C ATOM 316 OE1 GLU A 22 3.927 -5.813 -0.359 1.00 0.00 O ATOM 317 OE2 GLU A 22 4.809 -3.957 -1.137 1.00 0.00 O ATOM 0 H GLU A 22 6.495 -5.079 0.669 1.00 0.00 H new ATOM 0 HA GLU A 22 4.797 -7.353 0.642 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.514 -7.078 -0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.168 -8.076 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.767 -5.330 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.596 -6.417 -2.566 1.00 0.00 H new ATOM 324 N LYS A 23 7.819 -7.661 1.951 1.00 0.00 N ATOM 325 CA LYS A 23 8.623 -8.487 2.843 1.00 0.00 C ATOM 326 C LYS A 23 7.916 -8.630 4.184 1.00 0.00 C ATOM 327 O LYS A 23 7.829 -9.720 4.745 1.00 0.00 O ATOM 328 CB LYS A 23 10.018 -7.887 3.033 1.00 0.00 C ATOM 329 CG LYS A 23 10.076 -6.804 4.097 1.00 0.00 C ATOM 330 CD LYS A 23 10.068 -7.391 5.496 1.00 0.00 C ATOM 331 CE LYS A 23 9.221 -6.554 6.441 1.00 0.00 C ATOM 332 NZ LYS A 23 10.050 -5.603 7.235 1.00 0.00 N ATOM 0 H LYS A 23 8.276 -6.807 1.631 1.00 0.00 H new ATOM 0 HA LYS A 23 8.742 -9.473 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.713 -8.683 3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.357 -7.471 2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.977 -6.206 3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.226 -6.132 3.979 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.681 -8.410 5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.089 -7.449 5.874 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.479 -5.998 5.868 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.674 -7.211 7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.436 -5.051 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.741 -6.135 7.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.552 -4.959 6.591 1.00 0.00 H new ATOM 346 N LEU A 24 7.395 -7.518 4.682 1.00 0.00 N ATOM 347 CA LEU A 24 6.667 -7.520 5.944 1.00 0.00 C ATOM 348 C LEU A 24 5.341 -8.257 5.786 1.00 0.00 C ATOM 349 O LEU A 24 4.965 -9.067 6.633 1.00 0.00 O ATOM 350 CB LEU A 24 6.420 -6.091 6.436 1.00 0.00 C ATOM 351 CG LEU A 24 4.949 -5.703 6.615 1.00 0.00 C ATOM 352 CD1 LEU A 24 4.678 -5.286 8.050 1.00 0.00 C ATOM 353 CD2 LEU A 24 4.573 -4.587 5.653 1.00 0.00 C ATOM 0 H LEU A 24 7.462 -6.604 4.233 1.00 0.00 H new ATOM 0 HA LEU A 24 7.275 -8.037 6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.931 -5.960 7.390 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.878 -5.398 5.730 1.00 0.00 H new ATOM 0 HG LEU A 24 4.333 -6.573 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.628 -5.014 8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.909 -6.115 8.719 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.303 -4.430 8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.525 -4.323 5.793 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.196 -3.714 5.847 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.729 -4.923 4.628 1.00 0.00 H new ATOM 365 N LEU A 25 4.632 -7.957 4.698 1.00 0.00 N ATOM 366 CA LEU A 25 3.340 -8.582 4.433 1.00 0.00 C ATOM 367 C LEU A 25 3.478 -10.063 4.122 1.00 0.00 C ATOM 368 O LEU A 25 2.795 -10.896 4.716 1.00 0.00 O ATOM 369 CB LEU A 25 2.632 -7.873 3.278 1.00 0.00 C ATOM 370 CG LEU A 25 2.205 -6.438 3.567 1.00 0.00 C ATOM 371 CD1 LEU A 25 1.825 -5.724 2.279 1.00 0.00 C ATOM 372 CD2 LEU A 25 1.048 -6.416 4.554 1.00 0.00 C ATOM 0 H LEU A 25 4.931 -7.287 3.989 1.00 0.00 H new ATOM 0 HA LEU A 25 2.743 -8.486 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.294 -7.872 2.412 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.749 -8.450 3.004 1.00 0.00 H new ATOM 0 HG LEU A 25 3.048 -5.911 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.523 -4.701 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.682 -5.709 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.998 -6.249 1.802 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.756 -5.384 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.202 -6.960 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.356 -6.888 5.487 1.00 0.00 H new ATOM 384 N LEU A 26 4.357 -10.387 3.190 1.00 0.00 N ATOM 385 CA LEU A 26 4.568 -11.774 2.809 1.00 0.00 C ATOM 386 C LEU A 26 4.951 -12.604 4.026 1.00 0.00 C ATOM 387 O LEU A 26 4.616 -13.784 4.119 1.00 0.00 O ATOM 388 CB LEU A 26 5.641 -11.886 1.723 1.00 0.00 C ATOM 389 CG LEU A 26 7.020 -12.310 2.219 1.00 0.00 C ATOM 390 CD1 LEU A 26 8.037 -12.252 1.089 1.00 0.00 C ATOM 391 CD2 LEU A 26 7.452 -11.426 3.374 1.00 0.00 C ATOM 0 H LEU A 26 4.933 -9.714 2.685 1.00 0.00 H new ATOM 0 HA LEU A 26 3.634 -12.162 2.402 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.305 -12.603 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.732 -10.922 1.223 1.00 0.00 H new ATOM 0 HG LEU A 26 6.963 -13.340 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.014 -12.558 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.729 -12.923 0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.098 -11.233 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.437 -11.737 3.721 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.494 -10.389 3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.735 -11.517 4.190 1.00 0.00 H new ATOM 403 N ASP A 27 5.642 -11.971 4.968 1.00 0.00 N ATOM 404 CA ASP A 27 6.054 -12.644 6.191 1.00 0.00 C ATOM 405 C ASP A 27 4.838 -12.980 7.039 1.00 0.00 C ATOM 406 O ASP A 27 4.700 -14.095 7.541 1.00 0.00 O ATOM 407 CB ASP A 27 7.024 -11.766 6.985 1.00 0.00 C ATOM 408 CG ASP A 27 8.068 -12.579 7.724 1.00 0.00 C ATOM 409 OD1 ASP A 27 7.800 -13.764 8.014 1.00 0.00 O ATOM 410 OD2 ASP A 27 9.152 -12.031 8.013 1.00 0.00 O ATOM 0 H ASP A 27 5.928 -10.994 4.907 1.00 0.00 H new ATOM 0 HA ASP A 27 6.564 -13.569 5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.521 -11.073 6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.463 -11.165 7.700 1.00 0.00 H new ATOM 415 N THR A 28 3.949 -12.005 7.171 1.00 0.00 N ATOM 416 CA THR A 28 2.724 -12.181 7.933 1.00 0.00 C ATOM 417 C THR A 28 1.756 -13.058 7.157 1.00 0.00 C ATOM 418 O THR A 28 1.193 -14.015 7.688 1.00 0.00 O ATOM 419 CB THR A 28 2.084 -10.826 8.237 1.00 0.00 C ATOM 420 OG1 THR A 28 1.138 -10.944 9.286 1.00 0.00 O ATOM 421 CG2 THR A 28 1.376 -10.217 7.046 1.00 0.00 C ATOM 0 H THR A 28 4.056 -11.079 6.757 1.00 0.00 H new ATOM 0 HA THR A 28 2.965 -12.667 8.878 1.00 0.00 H new ATOM 0 HB THR A 28 2.909 -10.173 8.520 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.740 -10.067 9.468 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.945 -9.257 7.331 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.090 -10.068 6.236 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.583 -10.887 6.713 1.00 0.00 H new ATOM 429 N GLY A 29 1.586 -12.722 5.889 1.00 0.00 N ATOM 430 CA GLY A 29 0.707 -13.475 5.022 1.00 0.00 C ATOM 431 C GLY A 29 -0.721 -13.557 5.525 1.00 0.00 C ATOM 432 O GLY A 29 -1.326 -14.628 5.505 1.00 0.00 O ATOM 0 H GLY A 29 2.048 -11.931 5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.709 -13.018 4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.101 -14.485 4.908 1.00 0.00 H new ATOM 436 N LYS A 30 -1.274 -12.427 5.958 1.00 0.00 N ATOM 437 CA LYS A 30 -2.650 -12.396 6.441 1.00 0.00 C ATOM 438 C LYS A 30 -3.549 -11.713 5.430 1.00 0.00 C ATOM 439 O LYS A 30 -3.238 -10.625 4.949 1.00 0.00 O ATOM 440 CB LYS A 30 -2.765 -11.659 7.774 1.00 0.00 C ATOM 441 CG LYS A 30 -1.564 -10.789 8.109 1.00 0.00 C ATOM 442 CD LYS A 30 -1.943 -9.318 8.165 1.00 0.00 C ATOM 443 CE LYS A 30 -3.290 -9.062 7.508 1.00 0.00 C ATOM 444 NZ LYS A 30 -4.424 -9.389 8.417 1.00 0.00 N ATOM 0 H LYS A 30 -0.794 -11.527 5.984 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.962 -13.431 6.583 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.658 -11.035 7.756 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.904 -12.390 8.570 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.147 -11.096 9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.785 -10.937 7.361 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.976 -8.989 9.204 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.176 -8.725 7.667 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.355 -8.016 7.209 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.370 -9.659 6.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.320 -9.315 7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.312 -10.358 8.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.432 -8.723 9.215 1.00 0.00 H new ATOM 458 N GLU A 31 -4.673 -12.339 5.117 1.00 0.00 N ATOM 459 CA GLU A 31 -5.599 -11.752 4.170 1.00 0.00 C ATOM 460 C GLU A 31 -5.957 -10.342 4.607 1.00 0.00 C ATOM 461 O GLU A 31 -6.442 -10.135 5.720 1.00 0.00 O ATOM 462 CB GLU A 31 -6.870 -12.600 4.063 1.00 0.00 C ATOM 463 CG GLU A 31 -7.665 -12.666 5.357 1.00 0.00 C ATOM 464 CD GLU A 31 -7.942 -14.091 5.797 1.00 0.00 C ATOM 465 OE1 GLU A 31 -8.017 -14.978 4.922 1.00 0.00 O ATOM 466 OE2 GLU A 31 -8.084 -14.318 7.017 1.00 0.00 O ATOM 0 H GLU A 31 -4.960 -13.240 5.500 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.120 -11.718 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.505 -12.192 3.276 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.598 -13.611 3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.117 -12.147 6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.610 -12.139 5.226 1.00 0.00 H new ATOM 473 N GLY A 32 -5.732 -9.370 3.733 1.00 0.00 N ATOM 474 CA GLY A 32 -6.061 -8.009 4.074 1.00 0.00 C ATOM 475 C GLY A 32 -4.919 -7.236 4.698 1.00 0.00 C ATOM 476 O GLY A 32 -5.142 -6.151 5.228 1.00 0.00 O ATOM 0 H GLY A 32 -5.331 -9.502 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.389 -7.489 3.174 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.904 -8.012 4.765 1.00 0.00 H new ATOM 480 N ALA A 33 -3.693 -7.752 4.654 1.00 0.00 N ATOM 481 CA ALA A 33 -2.604 -6.992 5.260 1.00 0.00 C ATOM 482 C ALA A 33 -2.124 -5.921 4.292 1.00 0.00 C ATOM 483 O ALA A 33 -1.593 -6.229 3.229 1.00 0.00 O ATOM 484 CB ALA A 33 -1.461 -7.928 5.627 1.00 0.00 C ATOM 0 H ALA A 33 -3.436 -8.643 4.230 1.00 0.00 H new ATOM 0 HA ALA A 33 -2.963 -6.508 6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.652 -7.354 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -1.816 -8.675 6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.096 -8.426 4.729 1.00 0.00 H new ATOM 490 N PHE A 34 -2.314 -4.654 4.661 1.00 0.00 N ATOM 491 CA PHE A 34 -1.895 -3.564 3.797 1.00 0.00 C ATOM 492 C PHE A 34 -1.024 -2.515 4.468 1.00 0.00 C ATOM 493 O PHE A 34 -0.956 -2.408 5.693 1.00 0.00 O ATOM 494 CB PHE A 34 -3.095 -2.910 3.124 1.00 0.00 C ATOM 495 CG PHE A 34 -4.131 -2.380 4.068 1.00 0.00 C ATOM 496 CD1 PHE A 34 -3.784 -1.594 5.151 1.00 0.00 C ATOM 497 CD2 PHE A 34 -5.463 -2.653 3.847 1.00 0.00 C ATOM 498 CE1 PHE A 34 -4.752 -1.092 5.997 1.00 0.00 C ATOM 499 CE2 PHE A 34 -6.434 -2.159 4.685 1.00 0.00 C ATOM 500 CZ PHE A 34 -6.081 -1.375 5.764 1.00 0.00 C ATOM 0 H PHE A 34 -2.748 -4.366 5.538 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.259 -4.031 3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.741 -2.091 2.497 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.565 -3.638 2.462 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.744 -1.370 5.337 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.748 -3.264 3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.469 -0.479 6.840 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.474 -2.385 4.499 1.00 0.00 H new ATOM 0 HZ PHE A 34 -6.842 -0.985 6.423 1.00 0.00 H new ATOM 510 N MET A 35 -0.412 -1.707 3.612 1.00 0.00 N ATOM 511 CA MET A 35 0.427 -0.589 4.018 1.00 0.00 C ATOM 512 C MET A 35 0.389 0.460 2.910 1.00 0.00 C ATOM 513 O MET A 35 -0.061 0.167 1.807 1.00 0.00 O ATOM 514 CB MET A 35 1.865 -1.042 4.275 1.00 0.00 C ATOM 515 CG MET A 35 2.353 -2.092 3.294 1.00 0.00 C ATOM 516 SD MET A 35 2.547 -3.713 4.049 1.00 0.00 S ATOM 517 CE MET A 35 1.159 -3.740 5.177 1.00 0.00 C ATOM 0 H MET A 35 -0.486 -1.812 2.600 1.00 0.00 H new ATOM 0 HA MET A 35 0.049 -0.169 4.950 1.00 0.00 H new ATOM 0 HB2 MET A 35 2.525 -0.176 4.226 1.00 0.00 H new ATOM 0 HB3 MET A 35 1.937 -1.440 5.287 1.00 0.00 H new ATOM 0 HG2 MET A 35 1.649 -2.164 2.465 1.00 0.00 H new ATOM 0 HG3 MET A 35 3.308 -1.775 2.874 1.00 0.00 H new ATOM 0 HE1 MET A 35 1.399 -4.368 6.035 1.00 0.00 H new ATOM 0 HE2 MET A 35 0.947 -2.727 5.518 1.00 0.00 H new ATOM 0 HE3 MET A 35 0.283 -4.142 4.667 1.00 0.00 H new ATOM 527 N VAL A 36 0.848 1.674 3.183 1.00 0.00 N ATOM 528 CA VAL A 36 0.836 2.714 2.164 1.00 0.00 C ATOM 529 C VAL A 36 2.113 3.530 2.213 1.00 0.00 C ATOM 530 O VAL A 36 2.466 4.072 3.252 1.00 0.00 O ATOM 531 CB VAL A 36 -0.380 3.649 2.317 1.00 0.00 C ATOM 532 CG1 VAL A 36 -1.673 2.863 2.158 1.00 0.00 C ATOM 533 CG2 VAL A 36 -0.345 4.373 3.654 1.00 0.00 C ATOM 0 H VAL A 36 1.227 1.960 4.086 1.00 0.00 H new ATOM 0 HA VAL A 36 0.764 2.214 1.198 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.336 4.402 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.524 3.536 2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.700 2.403 1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.723 2.087 2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.214 5.026 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.361 3.643 4.463 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.565 4.969 3.721 1.00 0.00 H new ATOM 543 N ARG A 37 2.812 3.605 1.088 1.00 0.00 N ATOM 544 CA ARG A 37 4.053 4.352 1.024 1.00 0.00 C ATOM 545 C ARG A 37 4.012 5.420 -0.063 1.00 0.00 C ATOM 546 O ARG A 37 3.263 5.306 -1.036 1.00 0.00 O ATOM 547 CB ARG A 37 5.236 3.409 0.789 1.00 0.00 C ATOM 548 CG ARG A 37 4.837 2.062 0.212 1.00 0.00 C ATOM 549 CD ARG A 37 5.424 1.859 -1.177 1.00 0.00 C ATOM 550 NE ARG A 37 6.593 2.703 -1.406 1.00 0.00 N ATOM 551 CZ ARG A 37 6.564 3.822 -2.118 1.00 0.00 C ATOM 552 NH1 ARG A 37 5.429 4.232 -2.670 1.00 0.00 N ATOM 553 NH2 ARG A 37 7.670 4.537 -2.279 1.00 0.00 N ATOM 0 H ARG A 37 2.539 3.158 0.213 1.00 0.00 H new ATOM 0 HA ARG A 37 4.181 4.854 1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.943 3.889 0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.756 3.250 1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.178 1.265 0.873 1.00 0.00 H new ATOM 0 HG3 ARG A 37 3.750 1.992 0.163 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.702 0.813 -1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.665 2.080 -1.927 1.00 0.00 H new ATOM 0 HE ARG A 37 7.482 2.416 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.576 3.686 -2.547 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.410 5.093 -3.217 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.544 4.227 -1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.646 5.397 -2.827 1.00 0.00 H new ATOM 567 N ASP A 38 4.830 6.453 0.111 1.00 0.00 N ATOM 568 CA ASP A 38 4.906 7.545 -0.853 1.00 0.00 C ATOM 569 C ASP A 38 5.869 7.194 -1.984 1.00 0.00 C ATOM 570 O ASP A 38 7.061 6.988 -1.756 1.00 0.00 O ATOM 571 CB ASP A 38 5.357 8.834 -0.164 1.00 0.00 C ATOM 572 CG ASP A 38 5.727 9.920 -1.154 1.00 0.00 C ATOM 573 OD1 ASP A 38 6.529 9.642 -2.070 1.00 0.00 O ATOM 574 OD2 ASP A 38 5.213 11.051 -1.016 1.00 0.00 O ATOM 0 H ASP A 38 5.451 6.557 0.913 1.00 0.00 H new ATOM 0 HA ASP A 38 3.913 7.700 -1.274 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.559 9.194 0.485 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.214 8.621 0.474 1.00 0.00 H new ATOM 663 N TYR A 45 -0.062 8.187 -2.710 1.00 0.00 N ATOM 664 CA TYR A 45 0.346 7.180 -1.737 1.00 0.00 C ATOM 665 C TYR A 45 0.065 5.779 -2.259 1.00 0.00 C ATOM 666 O TYR A 45 -1.027 5.497 -2.749 1.00 0.00 O ATOM 667 CB TYR A 45 -0.377 7.400 -0.407 1.00 0.00 C ATOM 668 CG TYR A 45 0.067 8.646 0.324 1.00 0.00 C ATOM 669 CD1 TYR A 45 1.391 8.812 0.710 1.00 0.00 C ATOM 670 CD2 TYR A 45 -0.837 9.656 0.626 1.00 0.00 C ATOM 671 CE1 TYR A 45 1.801 9.951 1.378 1.00 0.00 C ATOM 672 CE2 TYR A 45 -0.434 10.799 1.293 1.00 0.00 C ATOM 673 CZ TYR A 45 0.885 10.940 1.666 1.00 0.00 C ATOM 674 OH TYR A 45 1.290 12.075 2.331 1.00 0.00 O ATOM 0 HA TYR A 45 1.419 7.279 -1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.450 7.460 -0.592 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.212 6.534 0.234 1.00 0.00 H new ATOM 0 HD1 TYR A 45 2.111 8.039 0.485 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.871 9.547 0.335 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.834 10.065 1.673 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.149 11.576 1.520 1.00 0.00 H new ATOM 0 HH TYR A 45 0.523 12.673 2.455 1.00 0.00 H new ATOM 684 N THR A 46 1.057 4.902 -2.156 1.00 0.00 N ATOM 685 CA THR A 46 0.908 3.532 -2.626 1.00 0.00 C ATOM 686 C THR A 46 0.598 2.590 -1.473 1.00 0.00 C ATOM 687 O THR A 46 1.400 2.437 -0.548 1.00 0.00 O ATOM 688 CB THR A 46 2.173 3.075 -3.347 1.00 0.00 C ATOM 689 OG1 THR A 46 1.921 2.882 -4.727 1.00 0.00 O ATOM 690 CG2 THR A 46 2.738 1.784 -2.797 1.00 0.00 C ATOM 0 H THR A 46 1.969 5.115 -1.753 1.00 0.00 H new ATOM 0 HA THR A 46 0.072 3.507 -3.325 1.00 0.00 H new ATOM 0 HB THR A 46 2.902 3.869 -3.188 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.174 3.689 -5.222 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.636 1.514 -3.353 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.988 1.916 -1.744 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.997 0.991 -2.897 1.00 0.00 H new ATOM 698 N VAL A 47 -0.574 1.966 -1.531 1.00 0.00 N ATOM 699 CA VAL A 47 -1.003 1.045 -0.496 1.00 0.00 C ATOM 700 C VAL A 47 -0.671 -0.400 -0.852 1.00 0.00 C ATOM 701 O VAL A 47 -1.126 -0.918 -1.872 1.00 0.00 O ATOM 702 CB VAL A 47 -2.520 1.143 -0.245 1.00 0.00 C ATOM 703 CG1 VAL A 47 -2.880 0.542 1.107 1.00 0.00 C ATOM 704 CG2 VAL A 47 -2.989 2.587 -0.342 1.00 0.00 C ATOM 0 H VAL A 47 -1.244 2.086 -2.291 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.461 1.331 0.406 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.034 0.570 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.956 0.621 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.586 -0.507 1.129 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.356 1.082 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.063 2.634 -0.162 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.469 3.189 0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.771 2.974 -1.337 1.00 0.00 H new ATOM 714 N SER A 48 0.100 -1.054 0.013 1.00 0.00 N ATOM 715 CA SER A 48 0.466 -2.449 -0.185 1.00 0.00 C ATOM 716 C SER A 48 -0.419 -3.336 0.684 1.00 0.00 C ATOM 717 O SER A 48 -0.363 -3.252 1.912 1.00 0.00 O ATOM 718 CB SER A 48 1.948 -2.676 0.157 1.00 0.00 C ATOM 719 OG SER A 48 2.532 -3.620 -0.723 1.00 0.00 O ATOM 0 H SER A 48 0.484 -0.636 0.861 1.00 0.00 H new ATOM 0 HA SER A 48 0.317 -2.708 -1.233 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.488 -1.732 0.094 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.038 -3.027 1.185 1.00 0.00 H new ATOM 0 HG SER A 48 1.827 -4.153 -1.146 1.00 0.00 H new ATOM 725 N VAL A 49 -1.246 -4.167 0.046 1.00 0.00 N ATOM 726 CA VAL A 49 -2.150 -5.054 0.768 1.00 0.00 C ATOM 727 C VAL A 49 -1.884 -6.517 0.436 1.00 0.00 C ATOM 728 O VAL A 49 -1.522 -6.857 -0.694 1.00 0.00 O ATOM 729 CB VAL A 49 -3.628 -4.730 0.481 1.00 0.00 C ATOM 730 CG1 VAL A 49 -3.867 -3.227 0.491 1.00 0.00 C ATOM 731 CG2 VAL A 49 -4.064 -5.345 -0.839 1.00 0.00 C ATOM 0 H VAL A 49 -1.306 -4.242 -0.970 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.956 -4.887 1.828 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.234 -5.168 1.274 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.918 -3.024 0.286 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.604 -2.823 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.250 -2.755 -0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.111 -5.105 -1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.452 -4.944 -1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.942 -6.427 -0.794 1.00 0.00 H new ATOM 741 N PHE A 50 -2.063 -7.381 1.435 1.00 0.00 N ATOM 742 CA PHE A 50 -1.837 -8.806 1.258 1.00 0.00 C ATOM 743 C PHE A 50 -3.063 -9.615 1.665 1.00 0.00 C ATOM 744 O PHE A 50 -3.597 -9.450 2.772 1.00 0.00 O ATOM 745 CB PHE A 50 -0.624 -9.266 2.064 1.00 0.00 C ATOM 746 CG PHE A 50 -0.527 -10.759 2.179 1.00 0.00 C ATOM 747 CD1 PHE A 50 -1.470 -11.468 2.902 1.00 0.00 C ATOM 748 CD2 PHE A 50 0.498 -11.454 1.556 1.00 0.00 C ATOM 749 CE1 PHE A 50 -1.392 -12.842 3.007 1.00 0.00 C ATOM 750 CE2 PHE A 50 0.579 -12.831 1.656 1.00 0.00 C ATOM 751 CZ PHE A 50 -0.368 -13.526 2.383 1.00 0.00 C ATOM 0 H PHE A 50 -2.364 -7.114 2.373 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.646 -8.977 0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 50 0.283 -8.884 1.595 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.673 -8.833 3.063 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.276 -10.940 3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.241 -10.915 0.987 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.133 -13.382 3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.382 -13.362 1.166 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.307 -14.601 2.463 1.00 0.00 H new ATOM 761 N THR A 51 -3.491 -10.490 0.754 1.00 0.00 N ATOM 762 CA THR A 51 -4.645 -11.350 0.970 1.00 0.00 C ATOM 763 C THR A 51 -4.218 -12.813 1.082 1.00 0.00 C ATOM 764 O THR A 51 -3.337 -13.267 0.353 1.00 0.00 O ATOM 765 CB THR A 51 -5.650 -11.187 -0.169 1.00 0.00 C ATOM 766 OG1 THR A 51 -6.759 -12.048 0.015 1.00 0.00 O ATOM 767 CG2 THR A 51 -5.062 -11.483 -1.532 1.00 0.00 C ATOM 0 H THR A 51 -3.044 -10.619 -0.154 1.00 0.00 H new ATOM 0 HA THR A 51 -5.118 -11.054 1.906 1.00 0.00 H new ATOM 0 HB THR A 51 -5.953 -10.140 -0.140 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.955 -12.129 0.972 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.828 -11.348 -2.296 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.233 -10.803 -1.726 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.701 -12.511 -1.557 1.00 0.00 H new ATOM 775 N LYS A 52 -4.850 -13.547 1.994 1.00 0.00 N ATOM 776 CA LYS A 52 -4.531 -14.957 2.193 1.00 0.00 C ATOM 777 C LYS A 52 -5.433 -15.845 1.342 1.00 0.00 C ATOM 778 O LYS A 52 -6.640 -15.923 1.570 1.00 0.00 O ATOM 779 CB LYS A 52 -4.686 -15.339 3.666 1.00 0.00 C ATOM 780 CG LYS A 52 -3.499 -14.952 4.532 1.00 0.00 C ATOM 781 CD LYS A 52 -3.643 -15.501 5.943 1.00 0.00 C ATOM 782 CE LYS A 52 -3.623 -17.022 5.953 1.00 0.00 C ATOM 783 NZ LYS A 52 -4.868 -17.589 6.539 1.00 0.00 N ATOM 0 H LYS A 52 -5.584 -13.190 2.605 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.496 -15.110 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -5.583 -14.862 4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.839 -16.416 3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.580 -15.331 4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.412 -13.866 4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.834 -15.121 6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.576 -15.145 6.380 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.501 -17.390 4.934 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.762 -17.370 6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.815 -18.628 6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.972 -17.258 7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.688 -17.278 5.980 1.00 0.00 H new ATOM 797 N ALA A 53 -4.838 -16.523 0.367 1.00 0.00 N ATOM 798 CA ALA A 53 -5.578 -17.414 -0.509 1.00 0.00 C ATOM 799 C ALA A 53 -5.299 -18.871 -0.157 1.00 0.00 C ATOM 800 O ALA A 53 -4.187 -19.214 0.248 1.00 0.00 O ATOM 801 CB ALA A 53 -5.228 -17.141 -1.963 1.00 0.00 C ATOM 0 H ALA A 53 -3.840 -16.470 0.165 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.642 -17.227 -0.368 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.791 -17.817 -2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.481 -16.110 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.161 -17.300 -2.116 1.00 0.00 H new ATOM 885 N PRO A 59 -2.163 -17.335 -1.848 1.00 0.00 N ATOM 886 CA PRO A 59 -2.181 -16.001 -1.240 1.00 0.00 C ATOM 887 C PRO A 59 -1.407 -14.980 -2.066 1.00 0.00 C ATOM 888 O PRO A 59 -0.190 -15.085 -2.220 1.00 0.00 O ATOM 889 CB PRO A 59 -1.518 -16.206 0.128 1.00 0.00 C ATOM 890 CG PRO A 59 -0.820 -17.521 0.038 1.00 0.00 C ATOM 891 CD PRO A 59 -1.610 -18.347 -0.936 1.00 0.00 C ATOM 0 HA PRO A 59 -3.194 -15.604 -1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.815 -15.403 0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -2.259 -16.209 0.927 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.208 -17.394 -0.303 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -0.775 -18.006 1.013 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.980 -19.064 -1.462 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -2.396 -18.916 -0.439 1.00 0.00 H new ATOM 899 N CYS A 60 -2.124 -13.997 -2.600 1.00 0.00 N ATOM 900 CA CYS A 60 -1.507 -12.959 -3.417 1.00 0.00 C ATOM 901 C CYS A 60 -1.637 -11.585 -2.766 1.00 0.00 C ATOM 902 O CYS A 60 -2.742 -11.110 -2.507 1.00 0.00 O ATOM 903 CB CYS A 60 -2.142 -12.934 -4.809 1.00 0.00 C ATOM 904 SG CYS A 60 -3.946 -12.829 -4.795 1.00 0.00 S ATOM 0 H CYS A 60 -3.132 -13.897 -2.482 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.446 -13.194 -3.506 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.744 -12.084 -5.363 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.845 -13.834 -5.348 1.00 0.00 H new ATOM 0 HG CYS A 60 -4.389 -12.811 -6.017 1.00 0.00 H new ATOM 910 N ILE A 61 -0.497 -10.952 -2.513 1.00 0.00 N ATOM 911 CA ILE A 61 -0.465 -9.628 -1.903 1.00 0.00 C ATOM 912 C ILE A 61 -0.179 -8.570 -2.967 1.00 0.00 C ATOM 913 O ILE A 61 0.656 -8.782 -3.846 1.00 0.00 O ATOM 914 CB ILE A 61 0.603 -9.561 -0.795 1.00 0.00 C ATOM 915 CG1 ILE A 61 1.139 -8.141 -0.633 1.00 0.00 C ATOM 916 CG2 ILE A 61 1.739 -10.527 -1.099 1.00 0.00 C ATOM 917 CD1 ILE A 61 2.222 -8.032 0.418 1.00 0.00 C ATOM 0 H ILE A 61 0.424 -11.338 -2.723 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.439 -9.433 -1.454 1.00 0.00 H new ATOM 0 HB ILE A 61 0.135 -9.853 0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.533 -7.796 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.316 -7.476 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.487 -10.470 -0.308 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.348 -11.543 -1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.197 -10.261 -2.052 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.561 -6.998 0.485 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.825 -8.347 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.061 -8.672 0.144 1.00 0.00 H new ATOM 929 N LYS A 62 -0.886 -7.442 -2.906 1.00 0.00 N ATOM 930 CA LYS A 62 -0.694 -6.390 -3.904 1.00 0.00 C ATOM 931 C LYS A 62 -0.804 -4.989 -3.307 1.00 0.00 C ATOM 932 O LYS A 62 -1.492 -4.770 -2.310 1.00 0.00 O ATOM 933 CB LYS A 62 -1.713 -6.548 -5.033 1.00 0.00 C ATOM 934 CG LYS A 62 -1.900 -5.290 -5.866 1.00 0.00 C ATOM 935 CD LYS A 62 -2.574 -5.597 -7.193 1.00 0.00 C ATOM 936 CE LYS A 62 -4.081 -5.713 -7.038 1.00 0.00 C ATOM 937 NZ LYS A 62 -4.664 -4.514 -6.376 1.00 0.00 N ATOM 0 H LYS A 62 -1.584 -7.235 -2.191 1.00 0.00 H new ATOM 0 HA LYS A 62 0.318 -6.501 -4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.396 -7.362 -5.685 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.673 -6.837 -4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.500 -4.570 -5.310 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.931 -4.825 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.340 -4.811 -7.911 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.176 -6.528 -7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.538 -5.845 -8.019 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.319 -6.602 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -5.537 -4.236 -6.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.881 -4.737 -5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.981 -3.730 -6.413 1.00 0.00 H new ATOM 951 N HIS A 63 -0.117 -4.045 -3.947 1.00 0.00 N ATOM 952 CA HIS A 63 -0.119 -2.651 -3.520 1.00 0.00 C ATOM 953 C HIS A 63 -0.666 -1.747 -4.627 1.00 0.00 C ATOM 954 O HIS A 63 -0.597 -2.094 -5.806 1.00 0.00 O ATOM 955 CB HIS A 63 1.299 -2.212 -3.145 1.00 0.00 C ATOM 956 CG HIS A 63 2.288 -3.335 -3.154 1.00 0.00 C ATOM 957 ND1 HIS A 63 2.128 -4.645 -2.836 1.00 0.00 N flip ATOM 958 CD2 HIS A 63 3.609 -3.193 -3.520 1.00 0.00 C flip ATOM 959 CE1 HIS A 63 3.340 -5.308 -3.002 1.00 0.00 C flip ATOM 960 NE2 HIS A 63 4.196 -4.393 -3.415 1.00 0.00 N flip ATOM 0 H HIS A 63 0.454 -4.226 -4.773 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.765 -2.562 -2.646 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.629 -1.441 -3.841 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.282 -1.760 -2.153 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.086 -2.277 -3.835 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.539 -6.355 -2.829 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.177 -4.575 -3.627 1.00 0.00 H new ATOM 968 N TYR A 64 -1.197 -0.588 -4.247 1.00 0.00 N ATOM 969 CA TYR A 64 -1.737 0.358 -5.222 1.00 0.00 C ATOM 970 C TYR A 64 -1.377 1.794 -4.858 1.00 0.00 C ATOM 971 O TYR A 64 -1.270 2.139 -3.681 1.00 0.00 O ATOM 972 CB TYR A 64 -3.259 0.223 -5.339 1.00 0.00 C ATOM 973 CG TYR A 64 -3.886 -0.655 -4.281 1.00 0.00 C ATOM 974 CD1 TYR A 64 -3.736 -2.035 -4.319 1.00 0.00 C ATOM 975 CD2 TYR A 64 -4.635 -0.105 -3.247 1.00 0.00 C ATOM 976 CE1 TYR A 64 -4.315 -2.842 -3.359 1.00 0.00 C ATOM 977 CE2 TYR A 64 -5.214 -0.904 -2.282 1.00 0.00 C ATOM 978 CZ TYR A 64 -5.052 -2.272 -2.342 1.00 0.00 C ATOM 979 OH TYR A 64 -5.631 -3.072 -1.385 1.00 0.00 O ATOM 0 H TYR A 64 -1.265 -0.281 -3.277 1.00 0.00 H new ATOM 0 HA TYR A 64 -1.287 0.118 -6.185 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.706 1.216 -5.283 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -3.502 -0.181 -6.322 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -3.157 -2.485 -5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.766 0.966 -3.198 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -4.191 -3.914 -3.405 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -5.791 -0.460 -1.484 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.584 -3.183 -1.584 1.00 0.00 H new ATOM 989 N HIS A 65 -1.195 2.632 -5.876 1.00 0.00 N ATOM 990 CA HIS A 65 -0.853 4.034 -5.664 1.00 0.00 C ATOM 991 C HIS A 65 -2.099 4.909 -5.717 1.00 0.00 C ATOM 992 O HIS A 65 -2.802 4.947 -6.727 1.00 0.00 O ATOM 993 CB HIS A 65 0.157 4.506 -6.713 1.00 0.00 C ATOM 994 CG HIS A 65 1.124 5.523 -6.192 1.00 0.00 C ATOM 995 ND1 HIS A 65 1.709 5.625 -4.973 1.00 0.00 N flip ATOM 996 CD2 HIS A 65 1.594 6.588 -6.928 1.00 0.00 C flip ATOM 997 CE1 HIS A 65 2.537 6.744 -4.954 1.00 0.00 C flip ATOM 998 NE2 HIS A 65 2.433 7.286 -6.152 1.00 0.00 N flip ATOM 0 H HIS A 65 -1.279 2.363 -6.856 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.404 4.124 -4.675 1.00 0.00 H new ATOM 0 HB2 HIS A 65 0.712 3.645 -7.085 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -0.382 4.929 -7.561 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.332 6.819 -7.950 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.139 7.095 -4.129 1.00 0.00 H new ATOM 0 HE2 HIS A 65 2.927 8.127 -6.449 1.00 0.00 H new ATOM 1006 N ILE A 66 -2.372 5.612 -4.622 1.00 0.00 N ATOM 1007 CA ILE A 66 -3.540 6.484 -4.551 1.00 0.00 C ATOM 1008 C ILE A 66 -3.336 7.740 -5.385 1.00 0.00 C ATOM 1009 O ILE A 66 -2.420 8.521 -5.136 1.00 0.00 O ATOM 1010 CB ILE A 66 -3.872 6.890 -3.101 1.00 0.00 C ATOM 1011 CG1 ILE A 66 -4.611 5.756 -2.389 1.00 0.00 C ATOM 1012 CG2 ILE A 66 -4.708 8.162 -3.088 1.00 0.00 C ATOM 1013 CD1 ILE A 66 -3.708 4.872 -1.557 1.00 0.00 C ATOM 0 H ILE A 66 -1.803 5.595 -3.775 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.377 5.912 -4.951 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.940 7.083 -2.569 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.380 6.183 -1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.121 5.143 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.935 8.437 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.151 8.968 -3.565 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -5.637 7.992 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.301 4.091 -1.082 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.954 4.416 -2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -3.218 5.472 -0.790 1.00 0.00 H new ATOM 1025 N LYS A 67 -4.201 7.931 -6.374 1.00 0.00 N ATOM 1026 CA LYS A 67 -4.119 9.096 -7.243 1.00 0.00 C ATOM 1027 C LYS A 67 -4.848 10.277 -6.617 1.00 0.00 C ATOM 1028 O LYS A 67 -5.613 10.109 -5.668 1.00 0.00 O ATOM 1029 CB LYS A 67 -4.713 8.779 -8.618 1.00 0.00 C ATOM 1030 CG LYS A 67 -4.283 7.429 -9.171 1.00 0.00 C ATOM 1031 CD LYS A 67 -5.304 6.880 -10.155 1.00 0.00 C ATOM 1032 CE LYS A 67 -4.751 5.700 -10.936 1.00 0.00 C ATOM 1033 NZ LYS A 67 -5.739 5.170 -11.916 1.00 0.00 N ATOM 0 H LYS A 67 -4.967 7.294 -6.593 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.069 9.360 -7.368 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.801 8.804 -8.549 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.420 9.560 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.316 7.528 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.151 6.724 -8.351 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.200 6.572 -9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.603 7.667 -10.847 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -3.846 6.005 -11.462 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.466 4.908 -10.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.323 4.366 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.593 4.855 -11.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.992 5.918 -12.593 1.00 0.00 H new ATOM 1047 N GLU A 68 -4.606 11.468 -7.155 1.00 0.00 N ATOM 1048 CA GLU A 68 -5.235 12.681 -6.652 1.00 0.00 C ATOM 1049 C GLU A 68 -6.266 13.198 -7.644 1.00 0.00 C ATOM 1050 O GLU A 68 -6.129 13.012 -8.853 1.00 0.00 O ATOM 1051 CB GLU A 68 -4.180 13.756 -6.389 1.00 0.00 C ATOM 1052 CG GLU A 68 -3.930 14.016 -4.912 1.00 0.00 C ATOM 1053 CD GLU A 68 -3.727 15.487 -4.606 1.00 0.00 C ATOM 1054 OE1 GLU A 68 -4.726 16.234 -4.589 1.00 0.00 O ATOM 1055 OE2 GLU A 68 -2.565 15.890 -4.380 1.00 0.00 O ATOM 0 H GLU A 68 -3.976 11.618 -7.943 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.739 12.443 -5.715 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.244 13.457 -6.860 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.494 14.685 -6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.774 13.641 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.050 13.457 -4.592 1.00 0.00 H new ATOM 1062 N THR A 69 -7.305 13.829 -7.122 1.00 0.00 N ATOM 1063 CA THR A 69 -8.370 14.354 -7.945 1.00 0.00 C ATOM 1064 C THR A 69 -8.742 15.775 -7.503 1.00 0.00 C ATOM 1065 O THR A 69 -8.114 16.329 -6.601 1.00 0.00 O ATOM 1066 CB THR A 69 -9.556 13.389 -7.856 1.00 0.00 C ATOM 1067 OG1 THR A 69 -9.588 12.539 -8.987 1.00 0.00 O ATOM 1068 CG2 THR A 69 -10.901 14.060 -7.730 1.00 0.00 C ATOM 0 H THR A 69 -7.429 13.988 -6.122 1.00 0.00 H new ATOM 0 HA THR A 69 -8.052 14.430 -8.985 1.00 0.00 H new ATOM 0 HB THR A 69 -9.390 12.826 -6.938 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.904 11.844 -8.893 1.00 0.00 H new ATOM 0 HG21 THR A 69 -11.682 13.302 -7.673 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.920 14.669 -6.826 1.00 0.00 H new ATOM 0 HG23 THR A 69 -11.074 14.694 -8.599 1.00 0.00 H new ATOM 1149 N ARG A 75 -10.866 13.333 -3.529 1.00 0.00 N ATOM 1150 CA ARG A 75 -9.623 13.871 -4.070 1.00 0.00 C ATOM 1151 C ARG A 75 -8.643 12.794 -4.545 1.00 0.00 C ATOM 1152 O ARG A 75 -8.098 12.903 -5.636 1.00 0.00 O ATOM 1153 CB ARG A 75 -8.953 14.771 -3.030 1.00 0.00 C ATOM 1154 CG ARG A 75 -8.515 16.116 -3.583 1.00 0.00 C ATOM 1155 CD ARG A 75 -7.045 16.106 -3.974 1.00 0.00 C ATOM 1156 NE ARG A 75 -6.377 14.872 -3.570 1.00 0.00 N ATOM 1157 CZ ARG A 75 -5.442 14.814 -2.624 1.00 0.00 C ATOM 1158 NH1 ARG A 75 -5.080 15.914 -1.977 1.00 0.00 N ATOM 1159 NH2 ARG A 75 -4.870 13.655 -2.323 1.00 0.00 N ATOM 0 HA ARG A 75 -9.892 14.449 -4.954 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.645 14.935 -2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -8.084 14.255 -2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.122 16.368 -4.452 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.689 16.891 -2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -6.957 16.229 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.542 16.957 -3.514 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.642 14.006 -4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.518 16.807 -2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -4.363 15.867 -1.253 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.146 12.806 -2.817 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.154 13.613 -1.598 1.00 0.00 H new ATOM 1173 N TYR A 76 -8.390 11.773 -3.733 1.00 0.00 N ATOM 1174 CA TYR A 76 -7.436 10.739 -4.124 1.00 0.00 C ATOM 1175 C TYR A 76 -8.112 9.421 -4.432 1.00 0.00 C ATOM 1176 O TYR A 76 -9.197 9.134 -3.940 1.00 0.00 O ATOM 1177 CB TYR A 76 -6.385 10.524 -3.042 1.00 0.00 C ATOM 1178 CG TYR A 76 -6.588 11.371 -1.823 1.00 0.00 C ATOM 1179 CD1 TYR A 76 -7.104 12.647 -1.930 1.00 0.00 C ATOM 1180 CD2 TYR A 76 -6.260 10.889 -0.569 1.00 0.00 C ATOM 1181 CE1 TYR A 76 -7.294 13.433 -0.815 1.00 0.00 C ATOM 1182 CE2 TYR A 76 -6.445 11.662 0.560 1.00 0.00 C ATOM 1183 CZ TYR A 76 -6.964 12.937 0.433 1.00 0.00 C ATOM 1184 OH TYR A 76 -7.151 13.715 1.552 1.00 0.00 O ATOM 0 H TYR A 76 -8.821 11.639 -2.818 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.954 11.096 -5.034 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -6.389 9.474 -2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -5.400 10.734 -3.459 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.363 13.035 -2.904 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.853 9.893 -0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.698 14.430 -0.915 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.186 11.274 1.534 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.052 14.100 1.536 1.00 0.00 H new ATOM 1194 N TYR A 77 -7.454 8.617 -5.251 1.00 0.00 N ATOM 1195 CA TYR A 77 -8.004 7.321 -5.625 1.00 0.00 C ATOM 1196 C TYR A 77 -6.949 6.336 -6.086 1.00 0.00 C ATOM 1197 O TYR A 77 -6.081 6.669 -6.893 1.00 0.00 O ATOM 1198 CB TYR A 77 -8.998 7.485 -6.769 1.00 0.00 C ATOM 1199 CG TYR A 77 -8.396 8.130 -7.996 1.00 0.00 C ATOM 1200 CD1 TYR A 77 -8.019 9.469 -7.971 1.00 0.00 C ATOM 1201 CD2 TYR A 77 -8.205 7.409 -9.177 1.00 0.00 C ATOM 1202 CE1 TYR A 77 -7.471 10.074 -9.085 1.00 0.00 C ATOM 1203 CE2 TYR A 77 -7.655 8.013 -10.292 1.00 0.00 C ATOM 1204 CZ TYR A 77 -7.291 9.343 -10.241 1.00 0.00 C ATOM 1205 OH TYR A 77 -6.744 9.944 -11.351 1.00 0.00 O ATOM 0 H TYR A 77 -6.548 8.834 -5.667 1.00 0.00 H new ATOM 0 HA TYR A 77 -8.479 6.930 -4.726 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.395 6.507 -7.039 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -9.840 8.087 -6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -8.157 10.044 -7.067 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -8.490 6.368 -9.219 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.185 11.115 -9.051 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.511 7.446 -11.200 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.684 9.292 -12.080 1.00 0.00 H new ATOM 1215 N VAL A 78 -7.098 5.092 -5.654 1.00 0.00 N ATOM 1216 CA VAL A 78 -6.226 4.040 -6.122 1.00 0.00 C ATOM 1217 C VAL A 78 -7.081 3.169 -7.014 1.00 0.00 C ATOM 1218 O VAL A 78 -7.158 1.951 -6.860 1.00 0.00 O ATOM 1219 CB VAL A 78 -5.643 3.187 -4.976 1.00 0.00 C ATOM 1220 CG1 VAL A 78 -4.153 3.447 -4.817 1.00 0.00 C ATOM 1221 CG2 VAL A 78 -6.380 3.453 -3.675 1.00 0.00 C ATOM 0 H VAL A 78 -7.809 4.794 -4.986 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.369 4.474 -6.638 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.779 2.136 -5.231 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.762 2.836 -4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.638 3.191 -5.743 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.990 4.501 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.951 2.840 -2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.285 4.506 -3.412 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.434 3.204 -3.796 1.00 0.00 H new ATOM 1231 N ALA A 79 -7.736 3.852 -7.945 1.00 0.00 N ATOM 1232 CA ALA A 79 -8.630 3.241 -8.907 1.00 0.00 C ATOM 1233 C ALA A 79 -9.296 4.331 -9.744 1.00 0.00 C ATOM 1234 O ALA A 79 -9.741 5.349 -9.214 1.00 0.00 O ATOM 1235 CB ALA A 79 -9.656 2.369 -8.208 1.00 0.00 C ATOM 0 H ALA A 79 -7.656 4.863 -8.050 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.059 2.594 -9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.317 1.920 -8.949 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.146 1.582 -7.652 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.243 2.978 -7.520 1.00 0.00 H new ATOM 1241 N GLU A 80 -9.336 4.123 -11.042 1.00 0.00 N ATOM 1242 CA GLU A 80 -9.904 5.087 -11.972 1.00 0.00 C ATOM 1243 C GLU A 80 -10.904 6.041 -11.335 1.00 0.00 C ATOM 1244 O GLU A 80 -10.643 7.238 -11.210 1.00 0.00 O ATOM 1245 CB GLU A 80 -10.546 4.357 -13.148 1.00 0.00 C ATOM 1246 CG GLU A 80 -9.656 3.264 -13.710 1.00 0.00 C ATOM 1247 CD GLU A 80 -9.221 3.540 -15.136 1.00 0.00 C ATOM 1248 OE1 GLU A 80 -9.437 4.673 -15.614 1.00 0.00 O ATOM 1249 OE2 GLU A 80 -8.666 2.622 -15.775 1.00 0.00 O ATOM 0 H GLU A 80 -8.976 3.279 -11.488 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.076 5.706 -12.318 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.493 3.921 -12.828 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.775 5.075 -13.935 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.773 3.159 -13.079 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.188 2.313 -13.674 1.00 0.00 H new ATOM 1256 N LYS A 81 -12.050 5.516 -10.968 1.00 0.00 N ATOM 1257 CA LYS A 81 -13.109 6.331 -10.379 1.00 0.00 C ATOM 1258 C LYS A 81 -13.016 6.367 -8.863 1.00 0.00 C ATOM 1259 O LYS A 81 -13.248 7.402 -8.237 1.00 0.00 O ATOM 1260 CB LYS A 81 -14.484 5.815 -10.812 1.00 0.00 C ATOM 1261 CG LYS A 81 -15.113 4.838 -9.831 1.00 0.00 C ATOM 1262 CD LYS A 81 -15.221 3.444 -10.425 1.00 0.00 C ATOM 1263 CE LYS A 81 -13.978 3.075 -11.216 1.00 0.00 C ATOM 1264 NZ LYS A 81 -14.007 1.657 -11.671 1.00 0.00 N ATOM 0 H LYS A 81 -12.281 4.527 -11.064 1.00 0.00 H new ATOM 0 HA LYS A 81 -12.978 7.350 -10.743 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -15.155 6.664 -10.944 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.389 5.329 -11.783 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.516 4.801 -8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -16.104 5.192 -9.549 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -15.373 2.718 -9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -16.095 3.391 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.891 3.732 -12.082 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.094 3.240 -10.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.242 1.497 -12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.877 1.027 -10.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.923 1.455 -12.121 1.00 0.00 H new ATOM 1278 N TYR A 82 -12.685 5.231 -8.286 1.00 0.00 N ATOM 1279 CA TYR A 82 -12.561 5.107 -6.843 1.00 0.00 C ATOM 1280 C TYR A 82 -11.685 6.212 -6.268 1.00 0.00 C ATOM 1281 O TYR A 82 -10.565 5.955 -5.829 1.00 0.00 O ATOM 1282 CB TYR A 82 -11.967 3.749 -6.485 1.00 0.00 C ATOM 1283 CG TYR A 82 -12.472 2.613 -7.348 1.00 0.00 C ATOM 1284 CD1 TYR A 82 -12.131 2.511 -8.699 1.00 0.00 C ATOM 1285 CD2 TYR A 82 -13.294 1.637 -6.804 1.00 0.00 C ATOM 1286 CE1 TYR A 82 -12.601 1.464 -9.471 1.00 0.00 C ATOM 1287 CE2 TYR A 82 -13.766 0.591 -7.569 1.00 0.00 C ATOM 1288 CZ TYR A 82 -13.417 0.508 -8.901 1.00 0.00 C ATOM 1289 OH TYR A 82 -13.886 -0.535 -9.666 1.00 0.00 O ATOM 0 H TYR A 82 -12.494 4.370 -8.798 1.00 0.00 H new ATOM 0 HA TYR A 82 -13.558 5.197 -6.412 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.882 3.804 -6.572 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.193 3.528 -5.442 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -11.493 3.259 -9.146 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.570 1.697 -5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -12.331 1.395 -10.514 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -14.405 -0.159 -7.128 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.446 -1.120 -9.114 1.00 0.00 H new ATOM 1299 N VAL A 83 -12.197 7.440 -6.255 1.00 0.00 N ATOM 1300 CA VAL A 83 -11.444 8.555 -5.719 1.00 0.00 C ATOM 1301 C VAL A 83 -12.123 9.129 -4.496 1.00 0.00 C ATOM 1302 O VAL A 83 -13.346 9.258 -4.439 1.00 0.00 O ATOM 1303 CB VAL A 83 -11.218 9.669 -6.763 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -10.932 9.077 -8.135 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -12.407 10.612 -6.818 1.00 0.00 C ATOM 0 H VAL A 83 -13.123 7.681 -6.608 1.00 0.00 H new ATOM 0 HA VAL A 83 -10.467 8.161 -5.437 1.00 0.00 H new ATOM 0 HB VAL A 83 -10.346 10.245 -6.455 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -10.776 9.882 -8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -10.037 8.457 -8.084 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.778 8.467 -8.452 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.222 11.388 -7.561 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -13.302 10.053 -7.091 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.551 11.073 -5.841 1.00 0.00 H new ATOM 1315 N PHE A 84 -11.304 9.450 -3.515 1.00 0.00 N ATOM 1316 CA PHE A 84 -11.771 9.998 -2.261 1.00 0.00 C ATOM 1317 C PHE A 84 -10.745 10.983 -1.711 1.00 0.00 C ATOM 1318 O PHE A 84 -9.544 10.821 -1.929 1.00 0.00 O ATOM 1319 CB PHE A 84 -12.015 8.861 -1.278 1.00 0.00 C ATOM 1320 CG PHE A 84 -12.445 7.592 -1.954 1.00 0.00 C ATOM 1321 CD1 PHE A 84 -11.563 6.888 -2.756 1.00 0.00 C ATOM 1322 CD2 PHE A 84 -13.732 7.107 -1.792 1.00 0.00 C ATOM 1323 CE1 PHE A 84 -11.955 5.724 -3.386 1.00 0.00 C ATOM 1324 CE2 PHE A 84 -14.130 5.943 -2.420 1.00 0.00 C ATOM 1325 CZ PHE A 84 -13.240 5.251 -3.219 1.00 0.00 C ATOM 0 H PHE A 84 -10.292 9.337 -3.567 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.707 10.535 -2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -11.103 8.675 -0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.779 9.163 -0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -10.556 7.254 -2.890 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -14.431 7.644 -1.168 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -11.257 5.184 -4.009 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -15.136 5.574 -2.287 1.00 0.00 H new ATOM 0 HZ PHE A 84 -13.550 4.341 -3.712 1.00 0.00 H new ATOM 1335 N ASP A 85 -11.213 12.003 -1.006 1.00 0.00 N ATOM 1336 CA ASP A 85 -10.321 13.005 -0.440 1.00 0.00 C ATOM 1337 C ASP A 85 -9.716 12.510 0.860 1.00 0.00 C ATOM 1338 O ASP A 85 -9.328 13.297 1.723 1.00 0.00 O ATOM 1339 CB ASP A 85 -11.062 14.325 -0.214 1.00 0.00 C ATOM 1340 CG ASP A 85 -10.116 15.497 -0.051 1.00 0.00 C ATOM 1341 OD1 ASP A 85 -9.198 15.406 0.790 1.00 0.00 O ATOM 1342 OD2 ASP A 85 -10.294 16.507 -0.763 1.00 0.00 O ATOM 0 H ASP A 85 -12.202 12.159 -0.813 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.514 13.181 -1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.728 14.513 -1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.688 14.240 0.675 1.00 0.00 H new ATOM 1347 N SER A 86 -9.642 11.199 0.988 1.00 0.00 N ATOM 1348 CA SER A 86 -9.088 10.577 2.178 1.00 0.00 C ATOM 1349 C SER A 86 -8.609 9.171 1.859 1.00 0.00 C ATOM 1350 O SER A 86 -9.395 8.295 1.492 1.00 0.00 O ATOM 1351 CB SER A 86 -10.124 10.545 3.303 1.00 0.00 C ATOM 1352 OG SER A 86 -9.813 11.492 4.310 1.00 0.00 O ATOM 0 H SER A 86 -9.961 10.539 0.278 1.00 0.00 H new ATOM 0 HA SER A 86 -8.237 11.170 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.114 10.754 2.896 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.162 9.546 3.738 1.00 0.00 H new ATOM 0 HG SER A 86 -10.491 11.453 5.017 1.00 0.00 H new ATOM 1358 N ILE A 87 -7.314 8.957 1.994 1.00 0.00 N ATOM 1359 CA ILE A 87 -6.745 7.658 1.710 1.00 0.00 C ATOM 1360 C ILE A 87 -7.395 6.594 2.586 1.00 0.00 C ATOM 1361 O ILE A 87 -7.718 5.502 2.118 1.00 0.00 O ATOM 1362 CB ILE A 87 -5.220 7.663 1.913 1.00 0.00 C ATOM 1363 CG1 ILE A 87 -4.622 8.953 1.342 1.00 0.00 C ATOM 1364 CG2 ILE A 87 -4.597 6.451 1.244 1.00 0.00 C ATOM 1365 CD1 ILE A 87 -4.073 8.796 -0.059 1.00 0.00 C ATOM 0 H ILE A 87 -6.642 9.662 2.297 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.943 7.423 0.664 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.005 7.617 2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -5.388 9.729 1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -3.824 9.296 2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.518 6.467 1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -5.011 5.542 1.680 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.814 6.473 0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.666 9.748 -0.399 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.284 8.044 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -4.873 8.483 -0.730 1.00 0.00 H new ATOM 1377 N PRO A 88 -7.634 6.912 3.867 1.00 0.00 N ATOM 1378 CA PRO A 88 -8.279 5.984 4.796 1.00 0.00 C ATOM 1379 C PRO A 88 -9.709 5.690 4.365 1.00 0.00 C ATOM 1380 O PRO A 88 -10.121 4.531 4.299 1.00 0.00 O ATOM 1381 CB PRO A 88 -8.265 6.728 6.136 1.00 0.00 C ATOM 1382 CG PRO A 88 -7.298 7.850 5.956 1.00 0.00 C ATOM 1383 CD PRO A 88 -7.324 8.198 4.497 1.00 0.00 C ATOM 0 HA PRO A 88 -7.770 5.021 4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -9.257 7.101 6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.956 6.069 6.948 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -7.580 8.708 6.566 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.296 7.554 6.267 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.079 8.951 4.273 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -6.367 8.595 4.158 1.00 0.00 H new ATOM 1391 N LEU A 89 -10.454 6.742 4.027 1.00 0.00 N ATOM 1392 CA LEU A 89 -11.818 6.568 3.554 1.00 0.00 C ATOM 1393 C LEU A 89 -11.752 5.815 2.245 1.00 0.00 C ATOM 1394 O LEU A 89 -12.482 4.848 2.018 1.00 0.00 O ATOM 1395 CB LEU A 89 -12.525 7.917 3.385 1.00 0.00 C ATOM 1396 CG LEU A 89 -12.852 8.331 1.950 1.00 0.00 C ATOM 1397 CD1 LEU A 89 -11.603 8.847 1.265 1.00 0.00 C ATOM 1398 CD2 LEU A 89 -13.460 7.175 1.170 1.00 0.00 C ATOM 0 H LEU A 89 -10.137 7.710 4.072 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.401 6.006 4.283 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -13.454 7.891 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -11.899 8.690 3.831 1.00 0.00 H new ATOM 0 HG LEU A 89 -13.592 9.131 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -11.843 9.140 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -11.220 9.710 1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -10.846 8.063 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -13.682 7.499 0.153 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -12.754 6.345 1.140 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -14.380 6.852 1.657 1.00 0.00 H new ATOM 1410 N LEU A 90 -10.815 6.238 1.413 1.00 0.00 N ATOM 1411 CA LEU A 90 -10.580 5.579 0.147 1.00 0.00 C ATOM 1412 C LEU A 90 -10.235 4.131 0.456 1.00 0.00 C ATOM 1413 O LEU A 90 -10.767 3.190 -0.153 1.00 0.00 O ATOM 1414 CB LEU A 90 -9.443 6.285 -0.598 1.00 0.00 C ATOM 1415 CG LEU A 90 -8.390 5.371 -1.218 1.00 0.00 C ATOM 1416 CD1 LEU A 90 -7.748 6.053 -2.416 1.00 0.00 C ATOM 1417 CD2 LEU A 90 -7.336 4.995 -0.191 1.00 0.00 C ATOM 0 H LEU A 90 -10.206 7.036 1.595 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.458 5.618 -0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -9.877 6.898 -1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.946 6.964 0.095 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.877 4.456 -1.555 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.998 5.393 -2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.512 6.275 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -7.273 6.980 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -6.594 4.343 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.847 5.898 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.809 4.474 0.642 1.00 0.00 H new ATOM 1429 N ILE A 91 -9.387 3.967 1.475 1.00 0.00 N ATOM 1430 CA ILE A 91 -9.012 2.651 1.945 1.00 0.00 C ATOM 1431 C ILE A 91 -10.272 1.931 2.394 1.00 0.00 C ATOM 1432 O ILE A 91 -10.497 0.768 2.060 1.00 0.00 O ATOM 1433 CB ILE A 91 -8.044 2.713 3.148 1.00 0.00 C ATOM 1434 CG1 ILE A 91 -6.641 3.150 2.733 1.00 0.00 C ATOM 1435 CG2 ILE A 91 -7.978 1.362 3.829 1.00 0.00 C ATOM 1436 CD1 ILE A 91 -6.063 2.352 1.593 1.00 0.00 C ATOM 0 H ILE A 91 -8.952 4.737 1.984 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.508 2.133 1.129 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.432 3.459 3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -6.668 4.202 2.450 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.977 3.069 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.294 1.414 4.676 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -8.971 1.083 4.182 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -7.622 0.614 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -5.066 2.723 1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.001 1.302 1.878 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -6.703 2.453 0.717 1.00 0.00 H new ATOM 1448 N GLN A 92 -11.103 2.654 3.149 1.00 0.00 N ATOM 1449 CA GLN A 92 -12.356 2.109 3.640 1.00 0.00 C ATOM 1450 C GLN A 92 -13.259 1.732 2.478 1.00 0.00 C ATOM 1451 O GLN A 92 -13.914 0.691 2.496 1.00 0.00 O ATOM 1452 CB GLN A 92 -13.058 3.115 4.555 1.00 0.00 C ATOM 1453 CG GLN A 92 -14.066 4.000 3.837 1.00 0.00 C ATOM 1454 CD GLN A 92 -15.306 4.264 4.669 1.00 0.00 C ATOM 1455 OE1 GLN A 92 -15.379 3.877 5.835 1.00 0.00 O ATOM 1456 NE2 GLN A 92 -16.291 4.924 4.070 1.00 0.00 N ATOM 0 H GLN A 92 -10.924 3.618 3.430 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.138 1.211 4.218 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.567 2.573 5.352 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -12.307 3.747 5.029 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -13.594 4.949 3.583 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -14.356 3.527 2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -16.187 5.226 3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -17.151 5.129 4.579 1.00 0.00 H new ATOM 1465 N TYR A 93 -13.283 2.587 1.464 1.00 0.00 N ATOM 1466 CA TYR A 93 -14.100 2.341 0.287 1.00 0.00 C ATOM 1467 C TYR A 93 -13.569 1.156 -0.495 1.00 0.00 C ATOM 1468 O TYR A 93 -14.323 0.267 -0.890 1.00 0.00 O ATOM 1469 CB TYR A 93 -14.153 3.569 -0.620 1.00 0.00 C ATOM 1470 CG TYR A 93 -15.056 3.384 -1.822 1.00 0.00 C ATOM 1471 CD1 TYR A 93 -14.627 2.678 -2.944 1.00 0.00 C ATOM 1472 CD2 TYR A 93 -16.341 3.910 -1.834 1.00 0.00 C ATOM 1473 CE1 TYR A 93 -15.455 2.507 -4.037 1.00 0.00 C ATOM 1474 CE2 TYR A 93 -17.173 3.743 -2.924 1.00 0.00 C ATOM 1475 CZ TYR A 93 -16.726 3.041 -4.024 1.00 0.00 C ATOM 1476 OH TYR A 93 -17.550 2.873 -5.110 1.00 0.00 O ATOM 0 H TYR A 93 -12.747 3.454 1.434 1.00 0.00 H new ATOM 0 HA TYR A 93 -15.110 2.121 0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.500 4.425 -0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -13.145 3.803 -0.963 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.632 2.258 -2.960 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -16.697 4.460 -0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.108 1.957 -4.899 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -18.169 4.160 -2.915 1.00 0.00 H new ATOM 0 HH TYR A 93 -18.410 3.310 -4.938 1.00 0.00 H new ATOM 1486 N HIS A 94 -12.266 1.151 -0.718 1.00 0.00 N ATOM 1487 CA HIS A 94 -11.636 0.069 -1.463 1.00 0.00 C ATOM 1488 C HIS A 94 -11.977 -1.286 -0.857 1.00 0.00 C ATOM 1489 O HIS A 94 -11.725 -2.324 -1.464 1.00 0.00 O ATOM 1490 CB HIS A 94 -10.122 0.262 -1.507 1.00 0.00 C ATOM 1491 CG HIS A 94 -9.707 1.315 -2.476 1.00 0.00 C ATOM 1492 ND1 HIS A 94 -9.723 1.328 -3.829 1.00 0.00 N flip ATOM 1493 CD2 HIS A 94 -9.223 2.540 -2.084 1.00 0.00 C flip ATOM 1494 CE1 HIS A 94 -9.254 2.552 -4.229 1.00 0.00 C flip ATOM 1495 NE2 HIS A 94 -8.961 3.266 -3.160 1.00 0.00 N flip ATOM 0 H HIS A 94 -11.626 1.877 -0.397 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.024 0.093 -2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -9.764 0.527 -0.512 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -9.647 -0.681 -1.776 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -10.027 0.568 -4.438 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.079 2.859 -1.062 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -9.143 2.878 -5.252 1.00 0.00 H new ATOM 1504 N GLN A 95 -12.556 -1.272 0.341 1.00 0.00 N ATOM 1505 CA GLN A 95 -12.933 -2.507 1.021 1.00 0.00 C ATOM 1506 C GLN A 95 -14.410 -2.505 1.392 1.00 0.00 C ATOM 1507 O GLN A 95 -15.111 -3.499 1.208 1.00 0.00 O ATOM 1508 CB GLN A 95 -12.080 -2.705 2.274 1.00 0.00 C ATOM 1509 CG GLN A 95 -12.766 -2.260 3.555 1.00 0.00 C ATOM 1510 CD GLN A 95 -11.780 -1.880 4.642 1.00 0.00 C ATOM 1511 OE1 GLN A 95 -11.755 -2.489 5.713 1.00 0.00 O ATOM 1512 NE2 GLN A 95 -10.965 -0.867 4.374 1.00 0.00 N ATOM 0 H GLN A 95 -12.774 -0.421 0.859 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.756 -3.334 0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.816 -3.759 2.361 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.148 -2.151 2.160 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -13.411 -1.408 3.340 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.408 -3.063 3.917 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.021 -0.392 3.473 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -10.283 -0.564 5.069 1.00 0.00 H new ATOM 1521 N TYR A 96 -14.872 -1.381 1.918 1.00 0.00 N ATOM 1522 CA TYR A 96 -16.263 -1.239 2.322 1.00 0.00 C ATOM 1523 C TYR A 96 -17.134 -0.805 1.148 1.00 0.00 C ATOM 1524 O TYR A 96 -18.359 -0.747 1.260 1.00 0.00 O ATOM 1525 CB TYR A 96 -16.386 -0.229 3.465 1.00 0.00 C ATOM 1526 CG TYR A 96 -17.467 0.805 3.246 1.00 0.00 C ATOM 1527 CD1 TYR A 96 -18.810 0.452 3.288 1.00 0.00 C ATOM 1528 CD2 TYR A 96 -17.146 2.133 2.997 1.00 0.00 C ATOM 1529 CE1 TYR A 96 -19.802 1.394 3.088 1.00 0.00 C ATOM 1530 CE2 TYR A 96 -18.132 3.081 2.798 1.00 0.00 C ATOM 1531 CZ TYR A 96 -19.457 2.707 2.844 1.00 0.00 C ATOM 1532 OH TYR A 96 -20.442 3.647 2.645 1.00 0.00 O ATOM 0 H TYR A 96 -14.301 -0.550 2.076 1.00 0.00 H new ATOM 0 HA TYR A 96 -16.612 -2.212 2.667 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -16.590 -0.765 4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -15.430 0.279 3.594 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -19.084 -0.575 3.480 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -16.108 2.430 2.958 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -20.842 1.103 3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -17.865 4.110 2.607 1.00 0.00 H new ATOM 0 HH TYR A 96 -20.031 4.523 2.487 1.00 0.00 H new ATOM 1542 N ASN A 97 -16.498 -0.503 0.022 1.00 0.00 N ATOM 1543 CA ASN A 97 -17.215 -0.077 -1.169 1.00 0.00 C ATOM 1544 C ASN A 97 -16.718 -0.823 -2.404 1.00 0.00 C ATOM 1545 O ASN A 97 -15.631 -0.547 -2.911 1.00 0.00 O ATOM 1546 CB ASN A 97 -17.062 1.431 -1.372 1.00 0.00 C ATOM 1547 CG ASN A 97 -18.373 2.173 -1.198 1.00 0.00 C ATOM 1548 OD1 ASN A 97 -19.070 2.463 -2.170 1.00 0.00 O ATOM 1549 ND2 ASN A 97 -18.716 2.485 0.047 1.00 0.00 N ATOM 0 H ASN A 97 -15.485 -0.546 -0.089 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.270 -0.312 -1.028 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -16.331 1.818 -0.662 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -16.669 1.623 -2.370 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.587 2.984 0.226 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.108 2.225 0.824 1.00 0.00 H new ATOM 1556 N GLY A 98 -17.522 -1.767 -2.882 1.00 0.00 N ATOM 1557 CA GLY A 98 -17.149 -2.538 -4.052 1.00 0.00 C ATOM 1558 C GLY A 98 -15.675 -2.419 -4.381 1.00 0.00 C ATOM 1559 O GLY A 98 -15.308 -2.009 -5.482 1.00 0.00 O ATOM 0 H GLY A 98 -18.426 -2.012 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -17.397 -3.586 -3.886 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -17.737 -2.202 -4.906 1.00 0.00 H new ATOM 1563 N GLY A 99 -14.828 -2.777 -3.422 1.00 0.00 N ATOM 1564 CA GLY A 99 -13.394 -2.700 -3.633 1.00 0.00 C ATOM 1565 C GLY A 99 -12.976 -3.231 -4.992 1.00 0.00 C ATOM 1566 O GLY A 99 -13.822 -3.564 -5.822 1.00 0.00 O ATOM 0 H GLY A 99 -15.108 -3.119 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.071 -1.663 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.885 -3.266 -2.853 1.00 0.00 H new ATOM 1570 N GLY A 100 -11.669 -3.308 -5.217 1.00 0.00 N ATOM 1571 CA GLY A 100 -11.161 -3.800 -6.484 1.00 0.00 C ATOM 1572 C GLY A 100 -9.777 -4.407 -6.361 1.00 0.00 C ATOM 1573 O GLY A 100 -9.437 -5.342 -7.085 1.00 0.00 O ATOM 0 H GLY A 100 -10.952 -3.038 -4.544 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.848 -4.548 -6.881 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -11.132 -2.981 -7.202 1.00 0.00 H new ATOM 1577 N LEU A 101 -8.978 -3.875 -5.442 1.00 0.00 N ATOM 1578 CA LEU A 101 -7.624 -4.371 -5.226 1.00 0.00 C ATOM 1579 C LEU A 101 -7.638 -5.625 -4.360 1.00 0.00 C ATOM 1580 O LEU A 101 -8.637 -5.926 -3.706 1.00 0.00 O ATOM 1581 CB LEU A 101 -6.760 -3.291 -4.568 1.00 0.00 C ATOM 1582 CG LEU A 101 -7.325 -1.871 -4.647 1.00 0.00 C ATOM 1583 CD1 LEU A 101 -7.613 -1.333 -3.254 1.00 0.00 C ATOM 1584 CD2 LEU A 101 -6.361 -0.956 -5.386 1.00 0.00 C ATOM 0 H LEU A 101 -9.245 -3.100 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.197 -4.625 -6.196 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -6.617 -3.551 -3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.775 -3.300 -5.036 1.00 0.00 H new ATOM 0 HG LEU A 101 -8.263 -1.903 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -8.014 -0.322 -3.330 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -8.341 -1.976 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -6.691 -1.315 -2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -6.778 0.050 -5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -5.408 -0.929 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.205 -1.332 -6.397 1.00 0.00 H new ATOM 1596 N VAL A 102 -6.528 -6.356 -4.358 1.00 0.00 N ATOM 1597 CA VAL A 102 -6.423 -7.577 -3.569 1.00 0.00 C ATOM 1598 C VAL A 102 -7.361 -7.532 -2.369 1.00 0.00 C ATOM 1599 O VAL A 102 -7.220 -6.681 -1.490 1.00 0.00 O ATOM 1600 CB VAL A 102 -4.985 -7.811 -3.081 1.00 0.00 C ATOM 1601 CG1 VAL A 102 -4.972 -8.210 -1.612 1.00 0.00 C ATOM 1602 CG2 VAL A 102 -4.296 -8.867 -3.933 1.00 0.00 C ATOM 0 H VAL A 102 -5.691 -6.124 -4.893 1.00 0.00 H new ATOM 0 HA VAL A 102 -6.710 -8.403 -4.220 1.00 0.00 H new ATOM 0 HB VAL A 102 -4.433 -6.877 -3.183 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -3.944 -8.371 -1.288 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.421 -7.416 -1.015 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -5.542 -9.130 -1.480 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -3.279 -9.019 -3.572 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -4.848 -9.805 -3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -4.267 -8.535 -4.971 1.00 0.00 H new ATOM 1612 N THR A 103 -8.324 -8.447 -2.342 1.00 0.00 N ATOM 1613 CA THR A 103 -9.289 -8.509 -1.252 1.00 0.00 C ATOM 1614 C THR A 103 -9.494 -7.132 -0.630 1.00 0.00 C ATOM 1615 O THR A 103 -9.734 -7.010 0.571 1.00 0.00 O ATOM 1616 CB THR A 103 -8.834 -9.504 -0.185 1.00 0.00 C ATOM 1617 OG1 THR A 103 -7.568 -9.140 0.333 1.00 0.00 O ATOM 1618 CG2 THR A 103 -8.730 -10.924 -0.700 1.00 0.00 C ATOM 0 H THR A 103 -8.457 -9.156 -3.063 1.00 0.00 H new ATOM 0 HA THR A 103 -10.239 -8.848 -1.664 1.00 0.00 H new ATOM 0 HB THR A 103 -9.600 -9.470 0.589 1.00 0.00 H new ATOM 0 HG1 THR A 103 -7.394 -9.643 1.156 1.00 0.00 H new ATOM 0 HG21 THR A 103 -8.402 -11.580 0.106 1.00 0.00 H new ATOM 0 HG22 THR A 103 -9.704 -11.252 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 103 -8.008 -10.963 -1.516 1.00 0.00 H new ATOM 1626 N ARG A 104 -9.404 -6.103 -1.461 1.00 0.00 N ATOM 1627 CA ARG A 104 -9.586 -4.730 -1.007 1.00 0.00 C ATOM 1628 C ARG A 104 -8.824 -4.470 0.289 1.00 0.00 C ATOM 1629 O ARG A 104 -8.349 -5.401 0.938 1.00 0.00 O ATOM 1630 CB ARG A 104 -11.071 -4.443 -0.798 1.00 0.00 C ATOM 1631 CG ARG A 104 -11.834 -5.606 -0.181 1.00 0.00 C ATOM 1632 CD ARG A 104 -13.336 -5.378 -0.237 1.00 0.00 C ATOM 1633 NE ARG A 104 -14.071 -6.624 -0.430 1.00 0.00 N ATOM 1634 CZ ARG A 104 -15.307 -6.827 0.016 1.00 0.00 C ATOM 1635 NH1 ARG A 104 -15.940 -5.868 0.680 1.00 0.00 N ATOM 1636 NH2 ARG A 104 -15.910 -7.988 -0.200 1.00 0.00 N ATOM 0 H ARG A 104 -9.205 -6.193 -2.457 1.00 0.00 H new ATOM 0 HA ARG A 104 -9.190 -4.066 -1.775 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -11.177 -3.568 -0.156 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -11.523 -4.191 -1.757 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.585 -6.527 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -11.523 -5.738 0.855 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -13.665 -4.902 0.687 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -13.568 -4.690 -1.050 1.00 0.00 H new ATOM 0 HE ARG A 104 -13.611 -7.381 -0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -15.478 -4.974 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -16.888 -6.025 1.022 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -15.426 -8.727 -0.709 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -16.858 -8.142 0.143 1.00 0.00 H new ATOM 1650 N LEU A 105 -8.720 -3.197 0.668 1.00 0.00 N ATOM 1651 CA LEU A 105 -8.026 -2.827 1.896 1.00 0.00 C ATOM 1652 C LEU A 105 -8.687 -3.501 3.094 1.00 0.00 C ATOM 1653 O LEU A 105 -9.878 -3.309 3.342 1.00 0.00 O ATOM 1654 CB LEU A 105 -8.037 -1.307 2.087 1.00 0.00 C ATOM 1655 CG LEU A 105 -7.070 -0.521 1.199 1.00 0.00 C ATOM 1656 CD1 LEU A 105 -5.653 -1.055 1.326 1.00 0.00 C ATOM 1657 CD2 LEU A 105 -7.531 -0.559 -0.249 1.00 0.00 C ATOM 0 H LEU A 105 -9.105 -2.411 0.145 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.992 -3.162 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -9.048 -0.943 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -7.804 -1.088 3.129 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.067 0.516 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.988 -0.478 0.684 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.323 -0.969 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.630 -2.102 1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -6.833 0.005 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.567 -1.593 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -8.524 -0.116 -0.326 1.00 0.00 H new ATOM 1669 N ARG A 106 -7.920 -4.300 3.827 1.00 0.00 N ATOM 1670 CA ARG A 106 -8.453 -5.003 4.982 1.00 0.00 C ATOM 1671 C ARG A 106 -7.676 -4.682 6.255 1.00 0.00 C ATOM 1672 O ARG A 106 -8.039 -3.778 7.007 1.00 0.00 O ATOM 1673 CB ARG A 106 -8.438 -6.512 4.732 1.00 0.00 C ATOM 1674 CG ARG A 106 -9.812 -7.097 4.452 1.00 0.00 C ATOM 1675 CD ARG A 106 -9.998 -8.438 5.143 1.00 0.00 C ATOM 1676 NE ARG A 106 -9.719 -9.558 4.249 1.00 0.00 N ATOM 1677 CZ ARG A 106 -10.236 -10.771 4.405 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -11.059 -11.018 5.416 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -9.936 -11.739 3.550 1.00 0.00 N ATOM 0 H ARG A 106 -6.932 -4.475 3.641 1.00 0.00 H new ATOM 0 HA ARG A 106 -9.479 -4.664 5.125 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -7.783 -6.725 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -8.010 -7.011 5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -10.580 -6.402 4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -9.944 -7.219 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -9.339 -8.493 6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -11.020 -8.516 5.514 1.00 0.00 H new ATOM 0 HE ARG A 106 -9.092 -9.400 3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -11.295 -10.276 6.074 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -11.456 -11.950 5.535 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.306 -11.553 2.769 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.335 -12.670 3.673 1.00 0.00 H new ATOM 1693 N TYR A 107 -6.617 -5.447 6.499 1.00 0.00 N ATOM 1694 CA TYR A 107 -5.793 -5.271 7.690 1.00 0.00 C ATOM 1695 C TYR A 107 -4.592 -4.373 7.428 1.00 0.00 C ATOM 1696 O TYR A 107 -3.808 -4.612 6.509 1.00 0.00 O ATOM 1697 CB TYR A 107 -5.300 -6.628 8.185 1.00 0.00 C ATOM 1698 CG TYR A 107 -4.494 -6.546 9.463 1.00 0.00 C ATOM 1699 CD1 TYR A 107 -5.065 -6.067 10.636 1.00 0.00 C ATOM 1700 CD2 TYR A 107 -3.162 -6.946 9.498 1.00 0.00 C ATOM 1701 CE1 TYR A 107 -4.333 -5.988 11.806 1.00 0.00 C ATOM 1702 CE2 TYR A 107 -2.425 -6.871 10.665 1.00 0.00 C ATOM 1703 CZ TYR A 107 -3.016 -6.392 11.815 1.00 0.00 C ATOM 1704 OH TYR A 107 -2.284 -6.317 12.979 1.00 0.00 O ATOM 0 H TYR A 107 -6.308 -6.199 5.884 1.00 0.00 H new ATOM 0 HA TYR A 107 -6.416 -4.793 8.446 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -6.158 -7.281 8.347 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -4.690 -7.090 7.409 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -6.098 -5.751 10.633 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.696 -7.321 8.599 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.791 -5.611 12.709 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -1.392 -7.186 10.676 1.00 0.00 H new ATOM 0 HH TYR A 107 -1.374 -6.641 12.815 1.00 0.00 H new ATOM 1714 N PRO A 108 -4.428 -3.331 8.253 1.00 0.00 N ATOM 1715 CA PRO A 108 -3.318 -2.388 8.145 1.00 0.00 C ATOM 1716 C PRO A 108 -2.033 -2.946 8.749 1.00 0.00 C ATOM 1717 O PRO A 108 -1.847 -2.919 9.966 1.00 0.00 O ATOM 1718 CB PRO A 108 -3.793 -1.173 8.957 1.00 0.00 C ATOM 1719 CG PRO A 108 -5.187 -1.488 9.401 1.00 0.00 C ATOM 1720 CD PRO A 108 -5.308 -2.983 9.366 1.00 0.00 C ATOM 0 HA PRO A 108 -3.082 -2.158 7.106 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -3.142 -0.998 9.813 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -3.773 -0.267 8.351 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -5.372 -1.106 10.405 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -5.920 -1.022 8.742 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -4.985 -3.441 10.301 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.334 -3.306 9.191 1.00 0.00 H new ATOM 1728 N VAL A 109 -1.148 -3.454 7.897 1.00 0.00 N ATOM 1729 CA VAL A 109 0.111 -4.014 8.356 1.00 0.00 C ATOM 1730 C VAL A 109 1.270 -3.055 8.104 1.00 0.00 C ATOM 1731 O VAL A 109 2.285 -3.429 7.517 1.00 0.00 O ATOM 1732 CB VAL A 109 0.406 -5.366 7.676 1.00 0.00 C ATOM 1733 CG1 VAL A 109 1.881 -5.718 7.793 1.00 0.00 C ATOM 1734 CG2 VAL A 109 -0.460 -6.463 8.277 1.00 0.00 C ATOM 0 H VAL A 109 -1.283 -3.488 6.886 1.00 0.00 H new ATOM 0 HA VAL A 109 0.013 -4.174 9.430 1.00 0.00 H new ATOM 0 HB VAL A 109 0.163 -5.278 6.617 1.00 0.00 H new ATOM 0 HG11 VAL A 109 2.066 -6.676 7.306 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.479 -4.944 7.311 1.00 0.00 H new ATOM 0 HG13 VAL A 109 2.156 -5.787 8.845 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -0.239 -7.411 7.786 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -0.250 -6.549 9.343 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.512 -6.216 8.133 1.00 0.00 H new ATOM 1744 N CYS A 110 1.112 -1.815 8.555 1.00 0.00 N ATOM 1745 CA CYS A 110 2.145 -0.802 8.380 1.00 0.00 C ATOM 1746 C CYS A 110 3.460 -1.254 9.004 1.00 0.00 C ATOM 1747 O CYS A 110 3.895 -0.715 10.022 1.00 0.00 O ATOM 1748 CB CYS A 110 1.701 0.523 9.003 1.00 0.00 C ATOM 1749 SG CYS A 110 0.911 0.350 10.620 1.00 0.00 S ATOM 0 H CYS A 110 0.279 -1.488 9.044 1.00 0.00 H new ATOM 0 HA CYS A 110 2.300 -0.659 7.311 1.00 0.00 H new ATOM 0 HB2 CYS A 110 2.569 1.174 9.103 1.00 0.00 H new ATOM 0 HB3 CYS A 110 1.008 1.018 8.323 1.00 0.00 H new ATOM 0 HG CYS A 110 0.853 -0.908 10.942 1.00 0.00 H new ATOM 1755 N GLY A 111 4.091 -2.248 8.386 1.00 0.00 N ATOM 1756 CA GLY A 111 5.352 -2.756 8.896 1.00 0.00 C ATOM 1757 C GLY A 111 5.181 -3.556 10.173 1.00 0.00 C ATOM 1758 O GLY A 111 4.240 -4.374 10.238 1.00 0.00 O ATOM 0 H GLY A 111 3.752 -2.710 7.542 1.00 0.00 H new ATOM 0 HA2 GLY A 111 5.821 -3.383 8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 111 6.028 -1.921 9.082 1.00 0.00 H new