USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 867 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 37 THR OG1 : rot 175:sc= 0.00652 USER MOD Set 1.2: A 118 ASN : amide:sc= 0.00698 K(o=0.014,f=-0.55) USER MOD Set 2.1: A 80 LYS NZ :NH3+ -177:sc= -0.574! (180deg=-1.25!) USER MOD Set 2.2: A 82 TYR OH : rot 180:sc= -0.0604 USER MOD Set 3.1: A 76 MET CE :methyl -115:sc= -0.0141 (180deg=-1.96) USER MOD Set 3.2: A 83 SER OG : rot 0:sc= -0.952 USER MOD Set 4.1: A 27 HIS :FLIP no HD1:sc= -4.88 F(o=-9.8!,f=-4.6) USER MOD Set 4.2: A 49 ASN : amide:sc= 0.287 K(o=-4.6,f=-11!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0177 USER MOD Single : A 32 HIS : no HD1:sc= -0.0197 X(o=-0.02,f=-0.031) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -15:sc= -0.481 USER MOD Single : A 42 THR OG1 : rot 78:sc= 0.647 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 150:sc= -0.676 USER MOD Single : A 54 ASN : amide:sc= -2.48 K(o=-2.5,f=-4.8!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.865 USER MOD Single : A 59 ASN : amide:sc= -0.9 K(o=-0.9,f=-7.2!) USER MOD Single : A 60 GLN : amide:sc= -0.638 X(o=-0.64,f=-0.86) USER MOD Single : A 67 LYS NZ :NH3+ -108:sc= -1.44 (180deg=-3.94!) USER MOD Single : A 68 CYS SG : rot -130:sc= -2.03! USER MOD Single : A 79 ASN : amide:sc= -1.11 K(o=-1.1,f=-5.8!) USER MOD Single : A 87 TYR OH : rot 180:sc= -0.684 USER MOD Single : A 89 THR OG1 : rot 165:sc= 0.989 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 93 SER OG : rot -129:sc= -0.0856 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 91:sc= 0.788 USER MOD Single : A 101 ASN : amide:sc= -3.92! C(o=-3.9!,f=-8!) USER MOD Single : A 103 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0342) USER MOD Single : A 111 GLN : amide:sc= -0.0781 X(o=-0.078,f=-0.00091) USER MOD Single : A 112 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00832) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 30:sc= -0.131 USER MOD Single : A 122 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0222) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 20:sc= 0.199 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -22.782 19.002 2.968 1.00 0.00 N ATOM 2 CA GLY A 18 -21.792 18.666 3.974 1.00 0.00 C ATOM 3 C GLY A 18 -20.580 17.972 3.385 1.00 0.00 C ATOM 4 O GLY A 18 -20.427 16.758 3.518 1.00 0.00 O ATOM 0 HA2 GLY A 18 -21.474 19.575 4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -22.247 18.021 4.726 1.00 0.00 H new ATOM 8 N SER A 19 -19.717 18.743 2.731 1.00 0.00 N ATOM 9 CA SER A 19 -18.515 18.193 2.116 1.00 0.00 C ATOM 10 C SER A 19 -17.589 17.593 3.170 1.00 0.00 C ATOM 11 O SER A 19 -17.220 16.422 3.093 1.00 0.00 O ATOM 12 CB SER A 19 -17.776 19.280 1.331 1.00 0.00 C ATOM 13 OG SER A 19 -18.293 19.401 0.017 1.00 0.00 O ATOM 0 H SER A 19 -19.828 19.750 2.614 1.00 0.00 H new ATOM 0 HA SER A 19 -18.818 17.401 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 19 -17.868 20.234 1.850 1.00 0.00 H new ATOM 0 HB3 SER A 19 -16.713 19.042 1.287 1.00 0.00 H new ATOM 0 HG SER A 19 -17.806 20.103 -0.463 1.00 0.00 H new ATOM 19 N SER A 20 -17.219 18.406 4.154 1.00 0.00 N ATOM 20 CA SER A 20 -16.334 17.958 5.223 1.00 0.00 C ATOM 21 C SER A 20 -16.691 16.542 5.667 1.00 0.00 C ATOM 22 O SER A 20 -17.860 16.160 5.678 1.00 0.00 O ATOM 23 CB SER A 20 -16.414 18.913 6.415 1.00 0.00 C ATOM 24 OG SER A 20 -17.731 18.972 6.934 1.00 0.00 O ATOM 0 H SER A 20 -17.518 19.378 4.233 1.00 0.00 H new ATOM 0 HA SER A 20 -15.314 17.954 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.727 18.585 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.096 19.909 6.109 1.00 0.00 H new ATOM 0 HG SER A 20 -17.755 19.588 7.696 1.00 0.00 H new ATOM 30 N GLY A 21 -15.673 15.768 6.031 1.00 0.00 N ATOM 31 CA GLY A 21 -15.899 14.404 6.471 1.00 0.00 C ATOM 32 C GLY A 21 -14.694 13.815 7.177 1.00 0.00 C ATOM 33 O GLY A 21 -13.604 14.385 7.138 1.00 0.00 O ATOM 0 H GLY A 21 -14.696 16.061 6.029 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.757 14.380 7.142 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.150 13.785 5.610 1.00 0.00 H new ATOM 37 N SER A 22 -14.890 12.672 7.826 1.00 0.00 N ATOM 38 CA SER A 22 -13.812 12.008 8.549 1.00 0.00 C ATOM 39 C SER A 22 -13.029 11.079 7.625 1.00 0.00 C ATOM 40 O SER A 22 -13.543 10.056 7.174 1.00 0.00 O ATOM 41 CB SER A 22 -14.373 11.215 9.730 1.00 0.00 C ATOM 42 OG SER A 22 -15.167 12.040 10.566 1.00 0.00 O ATOM 0 H SER A 22 -15.786 12.186 7.866 1.00 0.00 H new ATOM 0 HA SER A 22 -13.135 12.775 8.925 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.971 10.382 9.361 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.553 10.788 10.308 1.00 0.00 H new ATOM 0 HG SER A 22 -15.516 11.510 11.313 1.00 0.00 H new ATOM 48 N SER A 23 -11.781 11.445 7.347 1.00 0.00 N ATOM 49 CA SER A 23 -10.928 10.648 6.473 1.00 0.00 C ATOM 50 C SER A 23 -9.900 9.867 7.286 1.00 0.00 C ATOM 51 O SER A 23 -9.836 9.987 8.508 1.00 0.00 O ATOM 52 CB SER A 23 -10.217 11.548 5.460 1.00 0.00 C ATOM 53 OG SER A 23 -9.191 12.303 6.079 1.00 0.00 O ATOM 0 H SER A 23 -11.339 12.288 7.714 1.00 0.00 H new ATOM 0 HA SER A 23 -11.559 9.938 5.937 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.793 10.938 4.662 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.939 12.221 4.997 1.00 0.00 H new ATOM 0 HG SER A 23 -8.752 12.868 5.410 1.00 0.00 H new ATOM 59 N GLY A 24 -9.095 9.065 6.594 1.00 0.00 N ATOM 60 CA GLY A 24 -8.080 8.274 7.266 1.00 0.00 C ATOM 61 C GLY A 24 -8.342 6.785 7.161 1.00 0.00 C ATOM 62 O GLY A 24 -9.350 6.364 6.596 1.00 0.00 O ATOM 0 H GLY A 24 -9.128 8.949 5.581 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.104 8.499 6.836 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.038 8.559 8.317 1.00 0.00 H new ATOM 66 N ALA A 25 -7.431 5.986 7.707 1.00 0.00 N ATOM 67 CA ALA A 25 -7.568 4.535 7.672 1.00 0.00 C ATOM 68 C ALA A 25 -8.790 4.081 8.463 1.00 0.00 C ATOM 69 O ALA A 25 -9.517 4.899 9.027 1.00 0.00 O ATOM 70 CB ALA A 25 -6.310 3.873 8.215 1.00 0.00 C ATOM 0 H ALA A 25 -6.590 6.319 8.179 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.706 4.232 6.634 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.426 2.790 8.183 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.454 4.164 7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.148 4.190 9.245 1.00 0.00 H new ATOM 76 N LYS A 26 -9.012 2.771 8.499 1.00 0.00 N ATOM 77 CA LYS A 26 -10.146 2.207 9.220 1.00 0.00 C ATOM 78 C LYS A 26 -9.728 1.738 10.610 1.00 0.00 C ATOM 79 O LYS A 26 -10.569 1.359 11.428 1.00 0.00 O ATOM 80 CB LYS A 26 -10.747 1.039 8.435 1.00 0.00 C ATOM 81 CG LYS A 26 -12.093 0.576 8.965 1.00 0.00 C ATOM 82 CD LYS A 26 -12.958 -0.004 7.860 1.00 0.00 C ATOM 83 CE LYS A 26 -14.224 -0.638 8.417 1.00 0.00 C ATOM 84 NZ LYS A 26 -15.273 0.378 8.704 1.00 0.00 N ATOM 0 H LYS A 26 -8.421 2.080 8.037 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.899 2.988 9.330 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.859 1.333 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.050 0.201 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -11.941 -0.174 9.741 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -12.610 1.415 9.430 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -13.224 0.783 7.154 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -12.390 -0.751 7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.609 -1.366 7.704 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.986 -1.182 9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.119 -0.094 9.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -14.915 1.059 9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.519 0.880 7.827 1.00 0.00 H new ATOM 98 N HIS A 27 -8.425 1.766 10.872 1.00 0.00 N ATOM 99 CA HIS A 27 -7.897 1.345 12.165 1.00 0.00 C ATOM 100 C HIS A 27 -6.883 2.357 12.693 1.00 0.00 C ATOM 101 O HIS A 27 -5.984 2.787 11.969 1.00 0.00 O ATOM 102 CB HIS A 27 -7.245 -0.033 12.049 1.00 0.00 C ATOM 103 CG HIS A 27 -6.600 -0.281 10.719 1.00 0.00 C ATOM 104 ND1 HIS A 27 -7.072 -0.116 9.462 1.00 0.00 N flip ATOM 105 CD2 HIS A 27 -5.313 -0.759 10.585 1.00 0.00 C flip ATOM 106 CE1 HIS A 27 -6.072 -0.492 8.599 1.00 0.00 C flip ATOM 107 NE2 HIS A 27 -5.021 -0.875 9.302 1.00 0.00 N flip ATOM 0 H HIS A 27 -7.716 2.075 10.207 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.728 1.288 12.868 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.495 -0.138 12.833 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.000 -0.799 12.226 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.648 -1.001 11.401 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -6.135 -0.477 7.521 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.135 -1.204 8.919 1.00 0.00 H new ATOM 115 N THR A 28 -7.035 2.734 13.958 1.00 0.00 N ATOM 116 CA THR A 28 -6.137 3.696 14.582 1.00 0.00 C ATOM 117 C THR A 28 -4.678 3.306 14.365 1.00 0.00 C ATOM 118 O THR A 28 -3.794 4.163 14.334 1.00 0.00 O ATOM 119 CB THR A 28 -6.404 3.817 16.094 1.00 0.00 C ATOM 120 OG1 THR A 28 -6.758 2.538 16.633 1.00 0.00 O ATOM 121 CG2 THR A 28 -7.519 4.814 16.368 1.00 0.00 C ATOM 0 H THR A 28 -7.773 2.387 14.571 1.00 0.00 H new ATOM 0 HA THR A 28 -6.328 4.659 14.109 1.00 0.00 H new ATOM 0 HB THR A 28 -5.493 4.174 16.574 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.924 2.623 17.595 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.690 4.883 17.442 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.234 5.793 15.982 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.433 4.482 15.876 1.00 0.00 H new ATOM 129 N LEU A 29 -4.433 2.009 14.214 1.00 0.00 N ATOM 130 CA LEU A 29 -3.081 1.506 13.999 1.00 0.00 C ATOM 131 C LEU A 29 -2.294 2.436 13.083 1.00 0.00 C ATOM 132 O LEU A 29 -1.099 2.660 13.285 1.00 0.00 O ATOM 133 CB LEU A 29 -3.128 0.100 13.398 1.00 0.00 C ATOM 134 CG LEU A 29 -3.159 -1.056 14.399 1.00 0.00 C ATOM 135 CD1 LEU A 29 -4.591 -1.378 14.798 1.00 0.00 C ATOM 136 CD2 LEU A 29 -2.478 -2.285 13.813 1.00 0.00 C ATOM 0 H LEU A 29 -5.153 1.287 14.237 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.577 1.465 14.965 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.010 0.028 12.762 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.259 -0.027 12.753 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.614 -0.753 15.293 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.593 -2.203 15.511 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.047 -0.501 15.257 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.160 -1.662 13.913 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.509 -3.098 14.538 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.996 -2.589 12.904 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.441 -2.048 13.577 1.00 0.00 H new ATOM 148 N LEU A 30 -2.969 2.978 12.076 1.00 0.00 N ATOM 149 CA LEU A 30 -2.333 3.887 11.128 1.00 0.00 C ATOM 150 C LEU A 30 -2.097 5.255 11.761 1.00 0.00 C ATOM 151 O LEU A 30 -1.018 5.834 11.628 1.00 0.00 O ATOM 152 CB LEU A 30 -3.197 4.034 9.875 1.00 0.00 C ATOM 153 CG LEU A 30 -3.106 2.894 8.859 1.00 0.00 C ATOM 154 CD1 LEU A 30 -1.749 2.895 8.174 1.00 0.00 C ATOM 155 CD2 LEU A 30 -3.362 1.556 9.537 1.00 0.00 C ATOM 0 H LEU A 30 -3.957 2.804 11.894 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.368 3.465 10.848 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.237 4.135 10.185 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.921 4.962 9.375 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.872 3.048 8.099 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.704 2.077 7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.604 3.843 7.655 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.965 2.766 8.920 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.294 0.756 8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.618 1.395 10.317 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.358 1.557 9.980 1.00 0.00 H new ATOM 167 N ARG A 31 -3.113 5.765 12.451 1.00 0.00 N ATOM 168 CA ARG A 31 -3.015 7.065 13.105 1.00 0.00 C ATOM 169 C ARG A 31 -1.701 7.192 13.869 1.00 0.00 C ATOM 170 O ARG A 31 -0.925 8.120 13.641 1.00 0.00 O ATOM 171 CB ARG A 31 -4.194 7.269 14.059 1.00 0.00 C ATOM 172 CG ARG A 31 -4.503 8.730 14.340 1.00 0.00 C ATOM 173 CD ARG A 31 -5.486 9.297 13.328 1.00 0.00 C ATOM 174 NE ARG A 31 -6.870 8.983 13.671 1.00 0.00 N ATOM 175 CZ ARG A 31 -7.906 9.287 12.898 1.00 0.00 C ATOM 176 NH1 ARG A 31 -7.717 9.910 11.744 1.00 0.00 N ATOM 177 NH2 ARG A 31 -9.136 8.967 13.280 1.00 0.00 N ATOM 0 H ARG A 31 -4.012 5.298 12.571 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.042 7.835 12.334 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.079 6.794 13.636 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.980 6.764 15.001 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.915 8.829 15.344 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.580 9.309 14.316 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.364 10.379 13.271 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -5.259 8.898 12.339 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.051 8.504 14.553 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.773 10.158 11.447 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.515 10.142 11.153 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.286 8.487 14.168 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.932 9.201 12.686 1.00 0.00 H new ATOM 191 N HIS A 32 -1.457 6.252 14.777 1.00 0.00 N ATOM 192 CA HIS A 32 -0.236 6.259 15.575 1.00 0.00 C ATOM 193 C HIS A 32 0.995 6.371 14.682 1.00 0.00 C ATOM 194 O HIS A 32 1.729 7.356 14.743 1.00 0.00 O ATOM 195 CB HIS A 32 -0.151 4.991 16.425 1.00 0.00 C ATOM 196 CG HIS A 32 -1.305 4.821 17.365 1.00 0.00 C ATOM 197 ND1 HIS A 32 -2.065 3.670 17.423 1.00 0.00 N ATOM 198 CD2 HIS A 32 -1.828 5.662 18.287 1.00 0.00 C ATOM 199 CE1 HIS A 32 -3.005 3.813 18.339 1.00 0.00 C ATOM 200 NE2 HIS A 32 -2.883 5.013 18.879 1.00 0.00 N ATOM 0 H HIS A 32 -2.088 5.476 14.978 1.00 0.00 H new ATOM 0 HA HIS A 32 -0.265 7.127 16.233 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -0.099 4.124 15.766 1.00 0.00 H new ATOM 0 HB3 HIS A 32 0.775 5.010 17.000 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.480 6.659 18.515 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -3.748 3.074 18.602 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -3.476 5.395 19.616 1.00 0.00 H new ATOM 208 N GLU A 33 1.215 5.353 13.855 1.00 0.00 N ATOM 209 CA GLU A 33 2.361 5.339 12.952 1.00 0.00 C ATOM 210 C GLU A 33 2.653 6.739 12.421 1.00 0.00 C ATOM 211 O GLU A 33 3.811 7.124 12.261 1.00 0.00 O ATOM 212 CB GLU A 33 2.105 4.382 11.785 1.00 0.00 C ATOM 213 CG GLU A 33 1.898 2.939 12.216 1.00 0.00 C ATOM 214 CD GLU A 33 3.114 2.358 12.910 1.00 0.00 C ATOM 215 OE1 GLU A 33 3.233 2.528 14.142 1.00 0.00 O ATOM 216 OE2 GLU A 33 3.948 1.733 12.221 1.00 0.00 O ATOM 0 H GLU A 33 0.617 4.529 13.792 1.00 0.00 H new ATOM 0 HA GLU A 33 3.230 4.994 13.513 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.225 4.718 11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.948 4.429 11.096 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.040 2.883 12.886 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.659 2.333 11.342 1.00 0.00 H new ATOM 223 N GLY A 34 1.594 7.496 12.149 1.00 0.00 N ATOM 224 CA GLY A 34 1.758 8.844 11.638 1.00 0.00 C ATOM 225 C GLY A 34 1.804 8.889 10.124 1.00 0.00 C ATOM 226 O GLY A 34 2.658 9.558 9.542 1.00 0.00 O ATOM 0 H GLY A 34 0.626 7.200 12.273 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.936 9.466 11.992 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.677 9.272 12.039 1.00 0.00 H new ATOM 230 N ILE A 35 0.884 8.175 9.484 1.00 0.00 N ATOM 231 CA ILE A 35 0.823 8.136 8.029 1.00 0.00 C ATOM 232 C ILE A 35 -0.285 9.039 7.499 1.00 0.00 C ATOM 233 O ILE A 35 -1.457 8.856 7.829 1.00 0.00 O ATOM 234 CB ILE A 35 0.594 6.704 7.513 1.00 0.00 C ATOM 235 CG1 ILE A 35 1.849 5.854 7.723 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.203 6.726 6.043 1.00 0.00 C ATOM 237 CD1 ILE A 35 1.615 4.372 7.533 1.00 0.00 C ATOM 0 H ILE A 35 0.170 7.616 9.951 1.00 0.00 H new ATOM 0 HA ILE A 35 1.785 8.495 7.664 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.223 6.257 8.080 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.621 6.183 7.028 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.231 6.027 8.729 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.045 5.706 5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.716 7.299 5.920 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.000 7.189 5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.548 3.832 7.697 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.866 4.028 8.246 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.263 4.186 6.518 1.00 0.00 H new ATOM 249 N GLU A 36 0.092 10.013 6.678 1.00 0.00 N ATOM 250 CA GLU A 36 -0.872 10.943 6.102 1.00 0.00 C ATOM 251 C GLU A 36 -1.216 10.552 4.668 1.00 0.00 C ATOM 252 O GLU A 36 -0.331 10.367 3.832 1.00 0.00 O ATOM 253 CB GLU A 36 -0.318 12.370 6.134 1.00 0.00 C ATOM 254 CG GLU A 36 -0.067 12.894 7.538 1.00 0.00 C ATOM 255 CD GLU A 36 1.137 12.248 8.195 1.00 0.00 C ATOM 256 OE1 GLU A 36 2.143 12.016 7.492 1.00 0.00 O ATOM 257 OE2 GLU A 36 1.074 11.974 9.411 1.00 0.00 O ATOM 0 H GLU A 36 1.058 10.179 6.396 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.782 10.900 6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.615 12.401 5.571 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.018 13.034 5.627 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.081 13.973 7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.950 12.716 8.152 1.00 0.00 H new ATOM 264 N THR A 37 -2.510 10.427 4.390 1.00 0.00 N ATOM 265 CA THR A 37 -2.974 10.056 3.060 1.00 0.00 C ATOM 266 C THR A 37 -3.938 11.099 2.502 1.00 0.00 C ATOM 267 O THR A 37 -4.729 11.685 3.241 1.00 0.00 O ATOM 268 CB THR A 37 -3.670 8.683 3.069 1.00 0.00 C ATOM 269 OG1 THR A 37 -5.011 8.817 3.554 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.908 7.696 3.940 1.00 0.00 C ATOM 0 H THR A 37 -3.256 10.578 5.070 1.00 0.00 H new ATOM 0 HA THR A 37 -2.092 10.003 2.422 1.00 0.00 H new ATOM 0 HB THR A 37 -3.689 8.303 2.047 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.474 7.957 3.477 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.419 6.733 3.931 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.897 7.574 3.552 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.862 8.073 4.962 1.00 0.00 H new ATOM 278 N VAL A 38 -3.867 11.324 1.194 1.00 0.00 N ATOM 279 CA VAL A 38 -4.734 12.294 0.538 1.00 0.00 C ATOM 280 C VAL A 38 -6.049 11.654 0.109 1.00 0.00 C ATOM 281 O VAL A 38 -6.266 10.459 0.314 1.00 0.00 O ATOM 282 CB VAL A 38 -4.052 12.913 -0.696 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.910 13.826 -0.274 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.555 11.823 -1.633 1.00 0.00 C ATOM 0 H VAL A 38 -3.218 10.847 0.568 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.935 13.080 1.266 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.787 13.514 -1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.440 14.254 -1.160 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.298 14.628 0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -2.172 13.251 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.076 12.279 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.835 11.194 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.397 11.214 -1.962 1.00 0.00 H new ATOM 294 N SER A 39 -6.926 12.457 -0.486 1.00 0.00 N ATOM 295 CA SER A 39 -8.223 11.969 -0.942 1.00 0.00 C ATOM 296 C SER A 39 -8.197 11.673 -2.439 1.00 0.00 C ATOM 297 O SER A 39 -8.658 10.621 -2.883 1.00 0.00 O ATOM 298 CB SER A 39 -9.315 12.994 -0.631 1.00 0.00 C ATOM 299 OG SER A 39 -10.604 12.437 -0.813 1.00 0.00 O ATOM 0 H SER A 39 -6.762 13.448 -0.664 1.00 0.00 H new ATOM 0 HA SER A 39 -8.443 11.043 -0.411 1.00 0.00 H new ATOM 0 HB2 SER A 39 -9.208 13.343 0.396 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.197 13.864 -1.278 1.00 0.00 H new ATOM 0 HG SER A 39 -11.284 13.112 -0.606 1.00 0.00 H new ATOM 305 N TYR A 40 -7.656 12.609 -3.210 1.00 0.00 N ATOM 306 CA TYR A 40 -7.572 12.450 -4.658 1.00 0.00 C ATOM 307 C TYR A 40 -6.706 11.249 -5.025 1.00 0.00 C ATOM 308 O TYR A 40 -5.892 10.788 -4.226 1.00 0.00 O ATOM 309 CB TYR A 40 -7.003 13.718 -5.298 1.00 0.00 C ATOM 310 CG TYR A 40 -5.595 14.042 -4.852 1.00 0.00 C ATOM 311 CD1 TYR A 40 -5.359 14.698 -3.651 1.00 0.00 C ATOM 312 CD2 TYR A 40 -4.500 13.691 -5.633 1.00 0.00 C ATOM 313 CE1 TYR A 40 -4.074 14.997 -3.240 1.00 0.00 C ATOM 314 CE2 TYR A 40 -3.211 13.984 -5.229 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.004 14.637 -4.033 1.00 0.00 C ATOM 316 OH TYR A 40 -1.722 14.932 -3.628 1.00 0.00 O ATOM 0 H TYR A 40 -7.269 13.485 -2.858 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.579 12.278 -5.039 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -7.015 13.604 -6.382 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.654 14.559 -5.059 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.194 14.979 -3.027 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.659 13.181 -6.571 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.908 15.509 -2.304 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.371 13.703 -5.847 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.751 15.591 -2.904 1.00 0.00 H new ATOM 326 N ALA A 41 -6.889 10.747 -6.242 1.00 0.00 N ATOM 327 CA ALA A 41 -6.124 9.601 -6.718 1.00 0.00 C ATOM 328 C ALA A 41 -4.646 9.949 -6.861 1.00 0.00 C ATOM 329 O ALA A 41 -4.294 11.019 -7.359 1.00 0.00 O ATOM 330 CB ALA A 41 -6.683 9.108 -8.046 1.00 0.00 C ATOM 0 H ALA A 41 -7.560 11.116 -6.916 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.213 8.804 -5.980 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.102 8.252 -8.390 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.724 8.812 -7.915 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.624 9.907 -8.785 1.00 0.00 H new ATOM 336 N THR A 42 -3.784 9.039 -6.420 1.00 0.00 N ATOM 337 CA THR A 42 -2.344 9.249 -6.497 1.00 0.00 C ATOM 338 C THR A 42 -1.637 8.023 -7.062 1.00 0.00 C ATOM 339 O THR A 42 -1.944 6.891 -6.686 1.00 0.00 O ATOM 340 CB THR A 42 -1.749 9.578 -5.114 1.00 0.00 C ATOM 341 OG1 THR A 42 -1.965 8.483 -4.216 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.376 10.841 -4.542 1.00 0.00 C ATOM 0 H THR A 42 -4.058 8.148 -6.005 1.00 0.00 H new ATOM 0 HA THR A 42 -2.185 10.096 -7.165 1.00 0.00 H new ATOM 0 HB THR A 42 -0.678 9.745 -5.233 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.312 7.776 -4.400 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.941 11.053 -3.566 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.186 11.678 -5.214 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.451 10.698 -4.436 1.00 0.00 H new ATOM 350 N GLN A 43 -0.691 8.254 -7.966 1.00 0.00 N ATOM 351 CA GLN A 43 0.059 7.166 -8.583 1.00 0.00 C ATOM 352 C GLN A 43 0.640 6.236 -7.522 1.00 0.00 C ATOM 353 O GLN A 43 0.834 5.045 -7.766 1.00 0.00 O ATOM 354 CB GLN A 43 1.181 7.725 -9.458 1.00 0.00 C ATOM 355 CG GLN A 43 0.707 8.216 -10.816 1.00 0.00 C ATOM 356 CD GLN A 43 1.772 8.999 -11.559 1.00 0.00 C ATOM 357 OE1 GLN A 43 1.730 10.228 -11.612 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.734 8.289 -12.136 1.00 0.00 N ATOM 0 H GLN A 43 -0.425 9.185 -8.288 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.627 6.592 -9.207 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.665 8.548 -8.932 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.936 6.952 -9.604 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.402 7.362 -11.420 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.174 8.844 -10.684 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.729 7.271 -12.066 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.478 8.761 -12.649 1.00 0.00 H new ATOM 367 N SER A 44 0.915 6.787 -6.345 1.00 0.00 N ATOM 368 CA SER A 44 1.478 6.008 -5.249 1.00 0.00 C ATOM 369 C SER A 44 0.384 5.559 -4.285 1.00 0.00 C ATOM 370 O SER A 44 -0.714 6.116 -4.269 1.00 0.00 O ATOM 371 CB SER A 44 2.529 6.828 -4.499 1.00 0.00 C ATOM 372 OG SER A 44 3.428 7.452 -5.399 1.00 0.00 O ATOM 0 H SER A 44 0.757 7.771 -6.126 1.00 0.00 H new ATOM 0 HA SER A 44 1.953 5.122 -5.672 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.036 7.585 -3.889 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.082 6.181 -3.818 1.00 0.00 H new ATOM 0 HG SER A 44 3.752 8.291 -5.009 1.00 0.00 H new ATOM 378 N LEU A 45 0.693 4.547 -3.480 1.00 0.00 N ATOM 379 CA LEU A 45 -0.263 4.021 -2.511 1.00 0.00 C ATOM 380 C LEU A 45 0.451 3.517 -1.261 1.00 0.00 C ATOM 381 O LEU A 45 1.670 3.342 -1.256 1.00 0.00 O ATOM 382 CB LEU A 45 -1.082 2.891 -3.136 1.00 0.00 C ATOM 383 CG LEU A 45 -1.993 3.285 -4.298 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.462 2.050 -5.052 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.183 4.090 -3.795 1.00 0.00 C ATOM 0 H LEU A 45 1.597 4.075 -3.479 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.934 4.830 -2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.394 2.121 -3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.696 2.440 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.423 3.910 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.110 2.351 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.598 1.515 -5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.015 1.399 -4.375 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.820 4.362 -4.636 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.754 3.491 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.828 4.995 -3.302 1.00 0.00 H new ATOM 397 N VAL A 46 -0.316 3.282 -0.201 1.00 0.00 N ATOM 398 CA VAL A 46 0.242 2.795 1.054 1.00 0.00 C ATOM 399 C VAL A 46 -0.528 1.580 1.563 1.00 0.00 C ATOM 400 O VAL A 46 -1.710 1.674 1.892 1.00 0.00 O ATOM 401 CB VAL A 46 0.226 3.889 2.138 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.203 4.244 2.518 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.015 3.440 3.359 1.00 0.00 C ATOM 0 H VAL A 46 -1.326 3.421 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 46 1.274 2.510 0.851 1.00 0.00 H new ATOM 0 HB VAL A 46 0.702 4.783 1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.194 5.018 3.285 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.733 4.610 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.708 3.358 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.993 4.225 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.570 2.532 3.766 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.048 3.241 3.072 1.00 0.00 H new ATOM 413 N VAL A 47 0.151 0.439 1.623 1.00 0.00 N ATOM 414 CA VAL A 47 -0.467 -0.795 2.093 1.00 0.00 C ATOM 415 C VAL A 47 -0.482 -0.856 3.616 1.00 0.00 C ATOM 416 O VAL A 47 0.562 -0.774 4.262 1.00 0.00 O ATOM 417 CB VAL A 47 0.268 -2.034 1.548 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.626 -3.262 1.625 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.733 -1.791 0.119 1.00 0.00 C ATOM 0 H VAL A 47 1.130 0.344 1.352 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.492 -0.797 1.722 1.00 0.00 H new ATOM 0 HB VAL A 47 1.147 -2.215 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.090 -4.127 1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.905 -3.445 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.525 -3.095 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.250 -2.676 -0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.130 -1.584 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.412 -0.938 0.097 1.00 0.00 H new ATOM 429 N ALA A 48 -1.674 -1.002 4.185 1.00 0.00 N ATOM 430 CA ALA A 48 -1.827 -1.077 5.632 1.00 0.00 C ATOM 431 C ALA A 48 -1.851 -2.526 6.107 1.00 0.00 C ATOM 432 O ALA A 48 -2.048 -3.446 5.314 1.00 0.00 O ATOM 433 CB ALA A 48 -3.092 -0.355 6.069 1.00 0.00 C ATOM 0 H ALA A 48 -2.549 -1.071 3.665 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.967 -0.586 6.088 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.192 -0.420 7.152 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.034 0.692 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.958 -0.819 5.596 1.00 0.00 H new ATOM 439 N ASN A 49 -1.649 -2.723 7.406 1.00 0.00 N ATOM 440 CA ASN A 49 -1.647 -4.061 7.986 1.00 0.00 C ATOM 441 C ASN A 49 -0.779 -5.008 7.165 1.00 0.00 C ATOM 442 O ASN A 49 -1.008 -6.216 7.143 1.00 0.00 O ATOM 443 CB ASN A 49 -3.076 -4.604 8.072 1.00 0.00 C ATOM 444 CG ASN A 49 -3.943 -3.806 9.025 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.438 -3.138 9.928 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.254 -3.872 8.829 1.00 0.00 N ATOM 0 H ASN A 49 -1.485 -1.973 8.077 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.230 -3.994 8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.526 -4.592 7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.047 -5.644 8.396 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.888 -3.356 9.440 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.628 -4.439 8.068 1.00 0.00 H new ATOM 453 N GLY A 50 0.221 -4.449 6.490 1.00 0.00 N ATOM 454 CA GLY A 50 1.110 -5.259 5.677 1.00 0.00 C ATOM 455 C GLY A 50 2.571 -5.035 6.015 1.00 0.00 C ATOM 456 O GLY A 50 2.960 -5.087 7.181 1.00 0.00 O ATOM 0 H GLY A 50 0.431 -3.451 6.492 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.866 -6.312 5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.945 -5.030 4.624 1.00 0.00 H new ATOM 460 N GLY A 51 3.383 -4.786 4.992 1.00 0.00 N ATOM 461 CA GLY A 51 4.799 -4.560 5.208 1.00 0.00 C ATOM 462 C GLY A 51 5.510 -5.790 5.739 1.00 0.00 C ATOM 463 O GLY A 51 4.883 -6.669 6.332 1.00 0.00 O ATOM 0 H GLY A 51 3.085 -4.737 4.018 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.262 -4.254 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.929 -3.737 5.911 1.00 0.00 H new ATOM 467 N LEU A 52 6.819 -5.854 5.526 1.00 0.00 N ATOM 468 CA LEU A 52 7.614 -6.985 5.987 1.00 0.00 C ATOM 469 C LEU A 52 7.249 -7.362 7.419 1.00 0.00 C ATOM 470 O LEU A 52 6.945 -8.518 7.710 1.00 0.00 O ATOM 471 CB LEU A 52 9.106 -6.656 5.900 1.00 0.00 C ATOM 472 CG LEU A 52 9.626 -6.258 4.518 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.938 -5.500 4.639 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.797 -7.488 3.638 1.00 0.00 C ATOM 0 H LEU A 52 7.352 -5.135 5.037 1.00 0.00 H new ATOM 0 HA LEU A 52 7.397 -7.835 5.340 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.320 -5.843 6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.670 -7.524 6.242 1.00 0.00 H new ATOM 0 HG LEU A 52 8.893 -5.601 4.051 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.292 -5.225 3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.784 -4.598 5.232 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.680 -6.132 5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.168 -7.186 2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.510 -8.170 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.836 -7.990 3.523 1.00 0.00 H new ATOM 486 N GLY A 53 7.278 -6.376 8.310 1.00 0.00 N ATOM 487 CA GLY A 53 6.945 -6.623 9.702 1.00 0.00 C ATOM 488 C GLY A 53 5.780 -7.581 9.857 1.00 0.00 C ATOM 489 O GLY A 53 5.726 -8.351 10.814 1.00 0.00 O ATOM 0 H GLY A 53 7.526 -5.411 8.094 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.817 -7.030 10.215 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.702 -5.678 10.188 1.00 0.00 H new ATOM 493 N ASN A 54 4.844 -7.531 8.914 1.00 0.00 N ATOM 494 CA ASN A 54 3.673 -8.399 8.953 1.00 0.00 C ATOM 495 C ASN A 54 3.928 -9.689 8.181 1.00 0.00 C ATOM 496 O ASN A 54 3.032 -10.221 7.526 1.00 0.00 O ATOM 497 CB ASN A 54 2.457 -7.675 8.371 1.00 0.00 C ATOM 498 CG ASN A 54 1.147 -8.257 8.866 1.00 0.00 C ATOM 499 OD1 ASN A 54 0.862 -9.437 8.661 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.342 -7.429 9.523 1.00 0.00 N ATOM 0 H ASN A 54 4.874 -6.899 8.114 1.00 0.00 H new ATOM 0 HA ASN A 54 3.473 -8.653 9.994 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.505 -6.619 8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.489 -7.733 7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.553 -7.764 9.880 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.619 -6.458 9.670 1.00 0.00 H new ATOM 507 N GLY A 55 5.157 -10.189 8.264 1.00 0.00 N ATOM 508 CA GLY A 55 5.508 -11.414 7.569 1.00 0.00 C ATOM 509 C GLY A 55 5.050 -11.414 6.125 1.00 0.00 C ATOM 510 O GLY A 55 4.702 -12.458 5.575 1.00 0.00 O ATOM 0 H GLY A 55 5.916 -9.768 8.800 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.589 -11.551 7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.063 -12.263 8.088 1.00 0.00 H new ATOM 514 N VAL A 56 5.047 -10.236 5.507 1.00 0.00 N ATOM 515 CA VAL A 56 4.627 -10.103 4.117 1.00 0.00 C ATOM 516 C VAL A 56 5.821 -9.838 3.205 1.00 0.00 C ATOM 517 O VAL A 56 6.385 -8.745 3.206 1.00 0.00 O ATOM 518 CB VAL A 56 3.603 -8.965 3.947 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.425 -8.622 2.475 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.273 -9.347 4.578 1.00 0.00 C ATOM 0 H VAL A 56 5.331 -9.361 5.947 1.00 0.00 H new ATOM 0 HA VAL A 56 4.161 -11.047 3.835 1.00 0.00 H new ATOM 0 HB VAL A 56 3.981 -8.080 4.459 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.698 -7.816 2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.380 -8.303 2.058 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.069 -9.501 1.937 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.561 -8.532 4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.887 -10.246 4.097 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.416 -9.538 5.641 1.00 0.00 H new ATOM 530 N SER A 57 6.199 -10.847 2.427 1.00 0.00 N ATOM 531 CA SER A 57 7.328 -10.725 1.513 1.00 0.00 C ATOM 532 C SER A 57 6.927 -9.963 0.254 1.00 0.00 C ATOM 533 O SER A 57 5.747 -9.887 -0.090 1.00 0.00 O ATOM 534 CB SER A 57 7.859 -12.111 1.137 1.00 0.00 C ATOM 535 OG SER A 57 6.846 -12.898 0.535 1.00 0.00 O ATOM 0 H SER A 57 5.740 -11.758 2.411 1.00 0.00 H new ATOM 0 HA SER A 57 8.116 -10.167 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.700 -12.008 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.234 -12.614 2.028 1.00 0.00 H new ATOM 0 HG SER A 57 7.210 -13.778 0.302 1.00 0.00 H new ATOM 541 N ARG A 58 7.917 -9.399 -0.430 1.00 0.00 N ATOM 542 CA ARG A 58 7.669 -8.641 -1.650 1.00 0.00 C ATOM 543 C ARG A 58 7.084 -9.538 -2.738 1.00 0.00 C ATOM 544 O ARG A 58 6.193 -9.128 -3.481 1.00 0.00 O ATOM 545 CB ARG A 58 8.963 -7.995 -2.148 1.00 0.00 C ATOM 546 CG ARG A 58 8.884 -7.497 -3.581 1.00 0.00 C ATOM 547 CD ARG A 58 10.240 -7.028 -4.084 1.00 0.00 C ATOM 548 NE ARG A 58 11.046 -8.134 -4.594 1.00 0.00 N ATOM 549 CZ ARG A 58 10.708 -8.863 -5.651 1.00 0.00 C ATOM 550 NH1 ARG A 58 9.586 -8.604 -6.308 1.00 0.00 N ATOM 551 NH2 ARG A 58 11.495 -9.853 -6.055 1.00 0.00 N ATOM 0 H ARG A 58 8.899 -9.453 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 58 6.946 -7.858 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.216 -7.159 -1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.774 -8.719 -2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.512 -8.294 -4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.168 -6.677 -3.643 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.099 -6.289 -4.872 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.775 -6.532 -3.274 1.00 0.00 H new ATOM 0 HE ARG A 58 11.916 -8.359 -4.112 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.980 -7.843 -6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 58 9.329 -9.166 -7.120 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.360 -10.054 -5.553 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.235 -10.413 -6.867 1.00 0.00 H new ATOM 565 N ASN A 59 7.593 -10.762 -2.825 1.00 0.00 N ATOM 566 CA ASN A 59 7.122 -11.716 -3.822 1.00 0.00 C ATOM 567 C ASN A 59 5.752 -12.269 -3.441 1.00 0.00 C ATOM 568 O ASN A 59 5.141 -13.018 -4.203 1.00 0.00 O ATOM 569 CB ASN A 59 8.123 -12.863 -3.973 1.00 0.00 C ATOM 570 CG ASN A 59 9.437 -12.407 -4.578 1.00 0.00 C ATOM 571 OD1 ASN A 59 9.910 -11.304 -4.305 1.00 0.00 O ATOM 572 ND2 ASN A 59 10.033 -13.257 -5.408 1.00 0.00 N ATOM 0 H ASN A 59 8.331 -11.117 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 59 7.031 -11.194 -4.774 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.311 -13.309 -2.996 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.688 -13.641 -4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.918 -13.005 -5.847 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.605 -14.161 -5.606 1.00 0.00 H new ATOM 579 N GLN A 60 5.276 -11.895 -2.258 1.00 0.00 N ATOM 580 CA GLN A 60 3.979 -12.354 -1.777 1.00 0.00 C ATOM 581 C GLN A 60 2.958 -11.222 -1.801 1.00 0.00 C ATOM 582 O GLN A 60 1.752 -11.456 -1.700 1.00 0.00 O ATOM 583 CB GLN A 60 4.106 -12.912 -0.357 1.00 0.00 C ATOM 584 CG GLN A 60 2.770 -13.252 0.284 1.00 0.00 C ATOM 585 CD GLN A 60 1.991 -14.286 -0.506 1.00 0.00 C ATOM 586 OE1 GLN A 60 2.571 -15.129 -1.189 1.00 0.00 O ATOM 587 NE2 GLN A 60 0.667 -14.225 -0.415 1.00 0.00 N ATOM 0 H GLN A 60 5.769 -11.275 -1.615 1.00 0.00 H new ATOM 0 HA GLN A 60 3.633 -13.146 -2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.726 -13.808 -0.382 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.624 -12.183 0.266 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.940 -13.624 1.294 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.173 -12.344 0.375 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.228 -13.509 0.164 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.089 -14.894 -0.924 1.00 0.00 H new ATOM 596 N LEU A 61 3.446 -9.994 -1.936 1.00 0.00 N ATOM 597 CA LEU A 61 2.576 -8.824 -1.973 1.00 0.00 C ATOM 598 C LEU A 61 2.539 -8.218 -3.372 1.00 0.00 C ATOM 599 O LEU A 61 1.486 -7.792 -3.848 1.00 0.00 O ATOM 600 CB LEU A 61 3.051 -7.778 -0.963 1.00 0.00 C ATOM 601 CG LEU A 61 2.039 -6.693 -0.594 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.811 -7.308 0.059 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.674 -5.661 0.326 1.00 0.00 C ATOM 0 H LEU A 61 4.440 -9.783 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 61 1.568 -9.143 -1.708 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.350 -8.293 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.942 -7.294 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 61 1.725 -6.190 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.102 -6.521 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.342 -8.007 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.107 -7.838 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.939 -4.897 0.578 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.017 -6.149 1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.522 -5.197 -0.178 1.00 0.00 H new ATOM 615 N LEU A 62 3.695 -8.182 -4.026 1.00 0.00 N ATOM 616 CA LEU A 62 3.795 -7.629 -5.372 1.00 0.00 C ATOM 617 C LEU A 62 2.826 -8.328 -6.321 1.00 0.00 C ATOM 618 O LEU A 62 2.152 -7.696 -7.136 1.00 0.00 O ATOM 619 CB LEU A 62 5.226 -7.766 -5.895 1.00 0.00 C ATOM 620 CG LEU A 62 5.394 -7.708 -7.414 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.253 -6.279 -7.913 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.739 -8.288 -7.824 1.00 0.00 C ATOM 0 H LEU A 62 4.576 -8.529 -3.646 1.00 0.00 H new ATOM 0 HA LEU A 62 3.531 -6.573 -5.325 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.831 -6.975 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.632 -8.713 -5.541 1.00 0.00 H new ATOM 0 HG LEU A 62 4.607 -8.309 -7.870 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.376 -6.258 -8.996 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.266 -5.898 -7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.017 -5.655 -7.449 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.841 -8.239 -8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.540 -7.715 -7.357 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.801 -9.327 -7.501 1.00 0.00 H new ATOM 634 N PRO A 63 2.752 -9.663 -6.214 1.00 0.00 N ATOM 635 CA PRO A 63 1.865 -10.476 -7.053 1.00 0.00 C ATOM 636 C PRO A 63 0.448 -9.917 -7.110 1.00 0.00 C ATOM 637 O PRO A 63 -0.168 -9.870 -8.175 1.00 0.00 O ATOM 638 CB PRO A 63 1.875 -11.840 -6.359 1.00 0.00 C ATOM 639 CG PRO A 63 3.177 -11.890 -5.638 1.00 0.00 C ATOM 640 CD PRO A 63 3.526 -10.481 -5.265 1.00 0.00 C ATOM 0 HA PRO A 63 2.199 -10.507 -8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.037 -11.939 -5.669 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.791 -12.652 -7.081 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.102 -12.517 -4.749 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.951 -12.325 -6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.253 -10.261 -4.233 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.596 -10.296 -5.358 1.00 0.00 H new ATOM 648 N VAL A 64 -0.064 -9.495 -5.958 1.00 0.00 N ATOM 649 CA VAL A 64 -1.409 -8.938 -5.879 1.00 0.00 C ATOM 650 C VAL A 64 -1.471 -7.557 -6.521 1.00 0.00 C ATOM 651 O VAL A 64 -2.514 -7.142 -7.029 1.00 0.00 O ATOM 652 CB VAL A 64 -1.888 -8.836 -4.419 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.346 -8.402 -4.363 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.691 -10.161 -3.699 1.00 0.00 C ATOM 0 H VAL A 64 0.432 -9.528 -5.067 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.066 -9.617 -6.423 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.289 -8.080 -3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.666 -8.336 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.454 -7.427 -4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.963 -9.132 -4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.035 -10.070 -2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.263 -10.939 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.634 -10.425 -3.706 1.00 0.00 H new ATOM 664 N LEU A 65 -0.348 -6.848 -6.494 1.00 0.00 N ATOM 665 CA LEU A 65 -0.273 -5.511 -7.075 1.00 0.00 C ATOM 666 C LEU A 65 -0.065 -5.584 -8.583 1.00 0.00 C ATOM 667 O LEU A 65 -0.324 -4.619 -9.302 1.00 0.00 O ATOM 668 CB LEU A 65 0.863 -4.717 -6.429 1.00 0.00 C ATOM 669 CG LEU A 65 0.864 -4.667 -4.900 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.238 -4.275 -4.380 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.195 -3.697 -4.398 1.00 0.00 C ATOM 0 H LEU A 65 0.523 -7.176 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.218 -5.004 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.810 -5.143 -6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.825 -3.695 -6.806 1.00 0.00 H new ATOM 0 HG LEU A 65 0.626 -5.661 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.220 -4.245 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.975 -5.007 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.506 -3.292 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.180 -3.674 -3.308 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.013 -2.699 -4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.177 -4.022 -4.741 1.00 0.00 H new ATOM 683 N GLU A 66 0.402 -6.735 -9.057 1.00 0.00 N ATOM 684 CA GLU A 66 0.643 -6.932 -10.482 1.00 0.00 C ATOM 685 C GLU A 66 -0.634 -7.368 -11.194 1.00 0.00 C ATOM 686 O GLU A 66 -0.989 -6.829 -12.243 1.00 0.00 O ATOM 687 CB GLU A 66 1.740 -7.977 -10.696 1.00 0.00 C ATOM 688 CG GLU A 66 3.107 -7.535 -10.198 1.00 0.00 C ATOM 689 CD GLU A 66 4.216 -8.474 -10.630 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.770 -8.270 -11.730 1.00 0.00 O ATOM 691 OE2 GLU A 66 4.531 -9.412 -9.869 1.00 0.00 O ATOM 0 H GLU A 66 0.621 -7.544 -8.476 1.00 0.00 H new ATOM 0 HA GLU A 66 0.968 -5.981 -10.904 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.457 -8.898 -10.186 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.807 -8.209 -11.759 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.319 -6.533 -10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.091 -7.474 -9.110 1.00 0.00 H new ATOM 698 N LYS A 67 -1.322 -8.347 -10.617 1.00 0.00 N ATOM 699 CA LYS A 67 -2.561 -8.856 -11.194 1.00 0.00 C ATOM 700 C LYS A 67 -3.542 -7.720 -11.465 1.00 0.00 C ATOM 701 O LYS A 67 -4.294 -7.756 -12.439 1.00 0.00 O ATOM 702 CB LYS A 67 -3.199 -9.884 -10.257 1.00 0.00 C ATOM 703 CG LYS A 67 -3.358 -9.389 -8.830 1.00 0.00 C ATOM 704 CD LYS A 67 -4.137 -10.380 -7.981 1.00 0.00 C ATOM 705 CE LYS A 67 -5.617 -10.374 -8.333 1.00 0.00 C ATOM 706 NZ LYS A 67 -5.905 -11.214 -9.529 1.00 0.00 N ATOM 0 H LYS A 67 -1.042 -8.804 -9.749 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.321 -9.338 -12.142 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.178 -10.161 -10.648 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.590 -10.788 -10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.375 -9.224 -8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.871 -8.428 -8.832 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.732 -11.382 -8.125 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.012 -10.134 -6.926 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.194 -10.741 -7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.942 -9.351 -8.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.132 -10.601 -10.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.071 -11.792 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.714 -11.837 -9.329 1.00 0.00 H new ATOM 720 N CYS A 68 -3.528 -6.714 -10.598 1.00 0.00 N ATOM 721 CA CYS A 68 -4.418 -5.566 -10.744 1.00 0.00 C ATOM 722 C CYS A 68 -3.891 -4.602 -11.802 1.00 0.00 C ATOM 723 O CYS A 68 -4.622 -4.191 -12.701 1.00 0.00 O ATOM 724 CB CYS A 68 -4.571 -4.840 -9.407 1.00 0.00 C ATOM 725 SG CYS A 68 -5.866 -5.520 -8.343 1.00 0.00 S ATOM 0 H CYS A 68 -2.911 -6.669 -9.787 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.394 -5.932 -11.064 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.621 -4.878 -8.874 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.788 -3.789 -9.599 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.635 -4.558 -7.927 1.00 0.00 H new ATOM 731 N GLY A 69 -2.615 -4.244 -11.687 1.00 0.00 N ATOM 732 CA GLY A 69 -2.012 -3.329 -12.638 1.00 0.00 C ATOM 733 C GLY A 69 -0.504 -3.468 -12.702 1.00 0.00 C ATOM 734 O GLY A 69 0.074 -4.339 -12.050 1.00 0.00 O ATOM 0 H GLY A 69 -1.989 -4.572 -10.952 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.432 -3.509 -13.627 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.268 -2.305 -12.365 1.00 0.00 H new ATOM 738 N LEU A 70 0.135 -2.609 -13.487 1.00 0.00 N ATOM 739 CA LEU A 70 1.586 -2.641 -13.636 1.00 0.00 C ATOM 740 C LEU A 70 2.271 -2.022 -12.421 1.00 0.00 C ATOM 741 O LEU A 70 1.879 -0.952 -11.953 1.00 0.00 O ATOM 742 CB LEU A 70 2.005 -1.899 -14.906 1.00 0.00 C ATOM 743 CG LEU A 70 1.514 -2.496 -16.225 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.649 -1.484 -17.352 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.284 -3.768 -16.554 1.00 0.00 C ATOM 0 H LEU A 70 -0.328 -1.881 -14.031 1.00 0.00 H new ATOM 0 HA LEU A 70 1.896 -3.683 -13.714 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.645 -0.872 -14.839 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.094 -1.854 -14.934 1.00 0.00 H new ATOM 0 HG LEU A 70 0.460 -2.750 -16.116 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.295 -1.927 -18.283 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.054 -0.600 -17.121 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.695 -1.198 -17.461 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.921 -4.179 -17.496 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.346 -3.538 -16.643 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.137 -4.498 -15.758 1.00 0.00 H new ATOM 757 N VAL A 71 3.298 -2.700 -11.917 1.00 0.00 N ATOM 758 CA VAL A 71 4.040 -2.215 -10.760 1.00 0.00 C ATOM 759 C VAL A 71 5.403 -1.670 -11.170 1.00 0.00 C ATOM 760 O VAL A 71 6.296 -2.427 -11.552 1.00 0.00 O ATOM 761 CB VAL A 71 4.236 -3.327 -9.713 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.155 -2.853 -8.598 1.00 0.00 C ATOM 763 CG2 VAL A 71 2.894 -3.775 -9.155 1.00 0.00 C ATOM 0 H VAL A 71 3.635 -3.587 -12.292 1.00 0.00 H new ATOM 0 HA VAL A 71 3.450 -1.412 -10.319 1.00 0.00 H new ATOM 0 HB VAL A 71 4.705 -4.182 -10.199 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.282 -3.652 -7.867 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.126 -2.585 -9.016 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.717 -1.982 -8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.051 -4.561 -8.417 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.395 -2.928 -8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.272 -4.157 -9.965 1.00 0.00 H new ATOM 773 N ASP A 72 5.557 -0.354 -11.088 1.00 0.00 N ATOM 774 CA ASP A 72 6.814 0.293 -11.449 1.00 0.00 C ATOM 775 C ASP A 72 7.858 0.101 -10.354 1.00 0.00 C ATOM 776 O ASP A 72 8.977 -0.338 -10.620 1.00 0.00 O ATOM 777 CB ASP A 72 6.590 1.785 -11.702 1.00 0.00 C ATOM 778 CG ASP A 72 7.789 2.448 -12.353 1.00 0.00 C ATOM 779 OD1 ASP A 72 8.507 1.762 -13.110 1.00 0.00 O ATOM 780 OD2 ASP A 72 8.007 3.652 -12.106 1.00 0.00 O ATOM 0 H ASP A 72 4.828 0.287 -10.775 1.00 0.00 H new ATOM 0 HA ASP A 72 7.184 -0.171 -12.363 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.716 1.915 -12.340 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.372 2.282 -10.757 1.00 0.00 H new ATOM 785 N ALA A 73 7.485 0.434 -9.123 1.00 0.00 N ATOM 786 CA ALA A 73 8.389 0.297 -7.987 1.00 0.00 C ATOM 787 C ALA A 73 7.615 0.069 -6.694 1.00 0.00 C ATOM 788 O ALA A 73 6.707 0.831 -6.359 1.00 0.00 O ATOM 789 CB ALA A 73 9.274 1.530 -7.865 1.00 0.00 C ATOM 0 H ALA A 73 6.563 0.801 -8.886 1.00 0.00 H new ATOM 0 HA ALA A 73 9.021 -0.574 -8.160 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.944 1.414 -7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.862 1.647 -8.775 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.651 2.412 -7.719 1.00 0.00 H new ATOM 795 N LEU A 74 7.979 -0.984 -5.970 1.00 0.00 N ATOM 796 CA LEU A 74 7.318 -1.313 -4.712 1.00 0.00 C ATOM 797 C LEU A 74 8.259 -1.098 -3.530 1.00 0.00 C ATOM 798 O LEU A 74 9.205 -1.862 -3.330 1.00 0.00 O ATOM 799 CB LEU A 74 6.830 -2.762 -4.733 1.00 0.00 C ATOM 800 CG LEU A 74 6.473 -3.371 -3.376 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.264 -2.670 -2.778 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.212 -4.864 -3.514 1.00 0.00 C ATOM 0 H LEU A 74 8.728 -1.624 -6.233 1.00 0.00 H new ATOM 0 HA LEU A 74 6.461 -0.649 -4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.952 -2.819 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.603 -3.378 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 74 7.318 -3.231 -2.702 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.025 -3.117 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.487 -1.612 -2.643 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.412 -2.778 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.959 -5.281 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.384 -5.026 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.106 -5.356 -3.898 1.00 0.00 H new ATOM 814 N LEU A 75 7.991 -0.058 -2.749 1.00 0.00 N ATOM 815 CA LEU A 75 8.812 0.255 -1.585 1.00 0.00 C ATOM 816 C LEU A 75 8.357 -0.542 -0.366 1.00 0.00 C ATOM 817 O LEU A 75 7.180 -0.526 -0.006 1.00 0.00 O ATOM 818 CB LEU A 75 8.749 1.754 -1.280 1.00 0.00 C ATOM 819 CG LEU A 75 9.492 2.216 -0.026 1.00 0.00 C ATOM 820 CD1 LEU A 75 10.994 2.213 -0.265 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.019 3.599 0.395 1.00 0.00 C ATOM 0 H LEU A 75 7.212 0.583 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 75 9.841 -0.021 -1.813 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.151 2.296 -2.136 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.702 2.041 -1.184 1.00 0.00 H new ATOM 0 HG LEU A 75 9.272 1.518 0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.507 2.545 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.320 1.204 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.233 2.888 -1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.559 3.912 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.208 4.309 -0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.950 3.569 0.608 1.00 0.00 H new ATOM 833 N MET A 76 9.297 -1.237 0.264 1.00 0.00 N ATOM 834 CA MET A 76 8.993 -2.038 1.444 1.00 0.00 C ATOM 835 C MET A 76 9.968 -1.730 2.577 1.00 0.00 C ATOM 836 O MET A 76 11.059 -2.294 2.658 1.00 0.00 O ATOM 837 CB MET A 76 9.044 -3.528 1.103 1.00 0.00 C ATOM 838 CG MET A 76 7.932 -3.975 0.168 1.00 0.00 C ATOM 839 SD MET A 76 7.675 -5.760 0.199 1.00 0.00 S ATOM 840 CE MET A 76 6.794 -5.948 1.748 1.00 0.00 C ATOM 0 H MET A 76 10.276 -1.262 -0.022 1.00 0.00 H new ATOM 0 HA MET A 76 7.986 -1.783 1.775 1.00 0.00 H new ATOM 0 HB2 MET A 76 10.006 -3.755 0.644 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.986 -4.106 2.025 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.005 -3.473 0.446 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.170 -3.664 -0.849 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.403 -6.524 2.445 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.589 -4.965 2.172 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.854 -6.470 1.571 1.00 0.00 H new ATOM 850 N PRO A 77 9.568 -0.816 3.472 1.00 0.00 N ATOM 851 CA PRO A 77 10.391 -0.413 4.616 1.00 0.00 C ATOM 852 C PRO A 77 10.518 -1.520 5.657 1.00 0.00 C ATOM 853 O PRO A 77 9.544 -2.182 6.017 1.00 0.00 O ATOM 854 CB PRO A 77 9.633 0.783 5.196 1.00 0.00 C ATOM 855 CG PRO A 77 8.218 0.574 4.778 1.00 0.00 C ATOM 856 CD PRO A 77 8.278 -0.104 3.437 1.00 0.00 C ATOM 0 HA PRO A 77 11.414 -0.182 4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.724 0.820 6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.025 1.724 4.811 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.684 -0.041 5.502 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.686 1.523 4.712 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.444 -0.791 3.296 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.239 0.617 2.620 1.00 0.00 H new ATOM 864 N PRO A 78 11.746 -1.728 6.154 1.00 0.00 N ATOM 865 CA PRO A 78 12.029 -2.754 7.163 1.00 0.00 C ATOM 866 C PRO A 78 11.429 -2.410 8.522 1.00 0.00 C ATOM 867 O PRO A 78 11.425 -1.251 8.935 1.00 0.00 O ATOM 868 CB PRO A 78 13.558 -2.764 7.239 1.00 0.00 C ATOM 869 CG PRO A 78 13.969 -1.402 6.796 1.00 0.00 C ATOM 870 CD PRO A 78 12.953 -0.977 5.771 1.00 0.00 C ATOM 0 HA PRO A 78 11.596 -3.718 6.898 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.903 -2.971 8.252 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.981 -3.534 6.594 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.990 -0.708 7.636 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.972 -1.416 6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.782 0.099 5.797 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.275 -1.224 4.759 1.00 0.00 H new ATOM 878 N ASN A 79 10.925 -3.427 9.214 1.00 0.00 N ATOM 879 CA ASN A 79 10.322 -3.233 10.528 1.00 0.00 C ATOM 880 C ASN A 79 9.140 -2.272 10.447 1.00 0.00 C ATOM 881 O ASN A 79 8.920 -1.463 11.349 1.00 0.00 O ATOM 882 CB ASN A 79 11.362 -2.697 11.514 1.00 0.00 C ATOM 883 CG ASN A 79 12.628 -3.532 11.530 1.00 0.00 C ATOM 884 OD1 ASN A 79 13.031 -4.088 10.508 1.00 0.00 O ATOM 885 ND2 ASN A 79 13.263 -3.622 12.693 1.00 0.00 N ATOM 0 H ASN A 79 10.922 -4.393 8.887 1.00 0.00 H new ATOM 0 HA ASN A 79 9.959 -4.199 10.881 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.611 -1.669 11.252 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.932 -2.675 12.515 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.121 -4.169 12.765 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.893 -3.144 13.515 1.00 0.00 H new ATOM 892 N LYS A 80 8.379 -2.368 9.362 1.00 0.00 N ATOM 893 CA LYS A 80 7.217 -1.510 9.162 1.00 0.00 C ATOM 894 C LYS A 80 6.026 -2.317 8.657 1.00 0.00 C ATOM 895 O LYS A 80 6.079 -2.956 7.605 1.00 0.00 O ATOM 896 CB LYS A 80 7.547 -0.392 8.171 1.00 0.00 C ATOM 897 CG LYS A 80 8.464 0.675 8.743 1.00 0.00 C ATOM 898 CD LYS A 80 7.787 1.455 9.858 1.00 0.00 C ATOM 899 CE LYS A 80 8.461 2.798 10.088 1.00 0.00 C ATOM 900 NZ LYS A 80 8.655 3.547 8.815 1.00 0.00 N ATOM 0 H LYS A 80 8.547 -3.033 8.607 1.00 0.00 H new ATOM 0 HA LYS A 80 6.953 -1.068 10.123 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.015 -0.827 7.288 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.619 0.076 7.842 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.373 0.209 9.124 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.765 1.360 7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.738 1.612 9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.812 0.872 10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.858 3.395 10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.427 2.642 10.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 9.163 4.434 9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.209 2.968 8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.729 3.763 8.395 1.00 0.00 H new ATOM 914 N PRO A 81 4.922 -2.288 9.420 1.00 0.00 N ATOM 915 CA PRO A 81 3.697 -3.010 9.067 1.00 0.00 C ATOM 916 C PRO A 81 2.994 -2.402 7.857 1.00 0.00 C ATOM 917 O PRO A 81 1.942 -2.881 7.434 1.00 0.00 O ATOM 918 CB PRO A 81 2.827 -2.864 10.318 1.00 0.00 C ATOM 919 CG PRO A 81 3.314 -1.620 10.976 1.00 0.00 C ATOM 920 CD PRO A 81 4.787 -1.547 10.685 1.00 0.00 C ATOM 0 HA PRO A 81 3.899 -4.044 8.789 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.771 -2.787 10.059 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.932 -3.727 10.976 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.795 -0.744 10.587 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.129 -1.649 12.050 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.126 -0.516 10.585 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.377 -2.001 11.481 1.00 0.00 H new ATOM 928 N TYR A 82 3.583 -1.348 7.305 1.00 0.00 N ATOM 929 CA TYR A 82 3.012 -0.675 6.144 1.00 0.00 C ATOM 930 C TYR A 82 4.065 -0.474 5.058 1.00 0.00 C ATOM 931 O TYR A 82 5.247 -0.291 5.350 1.00 0.00 O ATOM 932 CB TYR A 82 2.421 0.676 6.551 1.00 0.00 C ATOM 933 CG TYR A 82 3.415 1.593 7.227 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.441 2.190 6.504 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.328 1.864 8.587 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.352 3.029 7.118 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.233 2.702 9.208 1.00 0.00 C ATOM 938 CZ TYR A 82 5.243 3.282 8.469 1.00 0.00 C ATOM 939 OH TYR A 82 6.148 4.117 9.084 1.00 0.00 O ATOM 0 H TYR A 82 4.455 -0.941 7.642 1.00 0.00 H new ATOM 0 HA TYR A 82 2.219 -1.306 5.744 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.026 1.172 5.664 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.580 0.507 7.223 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.528 1.995 5.445 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.539 1.411 9.169 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.145 3.484 6.543 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.150 2.902 10.266 1.00 0.00 H new ATOM 0 HH TYR A 82 5.930 4.190 10.037 1.00 0.00 H new ATOM 949 N SER A 83 3.626 -0.509 3.804 1.00 0.00 N ATOM 950 CA SER A 83 4.530 -0.334 2.673 1.00 0.00 C ATOM 951 C SER A 83 3.977 0.694 1.691 1.00 0.00 C ATOM 952 O SER A 83 2.870 1.203 1.863 1.00 0.00 O ATOM 953 CB SER A 83 4.753 -1.670 1.960 1.00 0.00 C ATOM 954 OG SER A 83 5.449 -2.581 2.792 1.00 0.00 O ATOM 0 H SER A 83 2.650 -0.657 3.545 1.00 0.00 H new ATOM 0 HA SER A 83 5.484 0.030 3.054 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.792 -2.097 1.672 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.318 -1.506 1.042 1.00 0.00 H new ATOM 0 HG SER A 83 5.642 -2.156 3.654 1.00 0.00 H new ATOM 960 N PHE A 84 4.758 0.995 0.658 1.00 0.00 N ATOM 961 CA PHE A 84 4.349 1.963 -0.353 1.00 0.00 C ATOM 962 C PHE A 84 4.620 1.431 -1.757 1.00 0.00 C ATOM 963 O PHE A 84 5.743 1.047 -2.081 1.00 0.00 O ATOM 964 CB PHE A 84 5.084 3.289 -0.147 1.00 0.00 C ATOM 965 CG PHE A 84 4.966 3.830 1.249 1.00 0.00 C ATOM 966 CD1 PHE A 84 3.860 4.576 1.625 1.00 0.00 C ATOM 967 CD2 PHE A 84 5.960 3.593 2.185 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.748 5.075 2.910 1.00 0.00 C ATOM 969 CE2 PHE A 84 5.853 4.089 3.470 1.00 0.00 C ATOM 970 CZ PHE A 84 4.746 4.832 3.833 1.00 0.00 C ATOM 0 H PHE A 84 5.677 0.582 0.499 1.00 0.00 H new ATOM 0 HA PHE A 84 3.277 2.130 -0.248 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.138 3.152 -0.387 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.691 4.026 -0.848 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.077 4.770 0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 84 6.828 3.014 1.907 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.881 5.654 3.191 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.634 3.896 4.190 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.661 5.222 4.837 1.00 0.00 H new ATOM 980 N ALA A 85 3.582 1.409 -2.586 1.00 0.00 N ATOM 981 CA ALA A 85 3.708 0.926 -3.955 1.00 0.00 C ATOM 982 C ALA A 85 3.590 2.072 -4.955 1.00 0.00 C ATOM 983 O ALA A 85 2.907 3.063 -4.699 1.00 0.00 O ATOM 984 CB ALA A 85 2.654 -0.135 -4.239 1.00 0.00 C ATOM 0 H ALA A 85 2.644 1.720 -2.333 1.00 0.00 H new ATOM 0 HA ALA A 85 4.697 0.481 -4.067 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.760 -0.487 -5.265 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.786 -0.972 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.661 0.293 -4.103 1.00 0.00 H new ATOM 990 N ARG A 86 4.260 1.928 -6.094 1.00 0.00 N ATOM 991 CA ARG A 86 4.231 2.952 -7.132 1.00 0.00 C ATOM 992 C ARG A 86 3.806 2.358 -8.471 1.00 0.00 C ATOM 993 O ARG A 86 4.597 1.698 -9.147 1.00 0.00 O ATOM 994 CB ARG A 86 5.606 3.610 -7.266 1.00 0.00 C ATOM 995 CG ARG A 86 5.548 5.043 -7.770 1.00 0.00 C ATOM 996 CD ARG A 86 6.709 5.868 -7.236 1.00 0.00 C ATOM 997 NE ARG A 86 6.936 7.071 -8.030 1.00 0.00 N ATOM 998 CZ ARG A 86 6.213 8.180 -7.909 1.00 0.00 C ATOM 999 NH1 ARG A 86 5.221 8.235 -7.029 1.00 0.00 N ATOM 1000 NH2 ARG A 86 6.479 9.235 -8.667 1.00 0.00 N ATOM 0 H ARG A 86 4.829 1.113 -6.321 1.00 0.00 H new ATOM 0 HA ARG A 86 3.501 3.707 -6.842 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.103 3.595 -6.296 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.218 3.019 -7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.568 5.048 -8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.606 5.499 -7.466 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.509 6.149 -6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.614 5.260 -7.232 1.00 0.00 H new ATOM 0 HE ARG A 86 7.691 7.060 -8.716 1.00 0.00 H new ATOM 0 HH11 ARG A 86 5.012 7.426 -6.444 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.667 9.087 -6.937 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.240 9.197 -9.345 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.923 10.085 -8.572 1.00 0.00 H new ATOM 1014 N TYR A 87 2.555 2.594 -8.848 1.00 0.00 N ATOM 1015 CA TYR A 87 2.024 2.080 -10.104 1.00 0.00 C ATOM 1016 C TYR A 87 2.536 2.897 -11.286 1.00 0.00 C ATOM 1017 O TYR A 87 2.911 4.061 -11.136 1.00 0.00 O ATOM 1018 CB TYR A 87 0.495 2.097 -10.081 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.112 0.936 -9.326 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.297 0.998 -7.951 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.500 -0.222 -9.989 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.850 -0.061 -7.256 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.056 -1.285 -9.303 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.229 -1.200 -7.937 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.781 -2.256 -7.250 1.00 0.00 O ATOM 0 H TYR A 87 1.889 3.139 -8.301 1.00 0.00 H new ATOM 0 HA TYR A 87 2.367 1.052 -10.221 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.157 3.030 -9.629 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.124 2.087 -11.106 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.004 1.889 -7.416 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.365 -0.292 -11.058 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.985 0.002 -6.186 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.353 -2.177 -9.833 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.993 -2.979 -7.877 1.00 0.00 H new ATOM 1035 N ARG A 88 2.547 2.280 -12.464 1.00 0.00 N ATOM 1036 CA ARG A 88 3.012 2.949 -13.673 1.00 0.00 C ATOM 1037 C ARG A 88 1.984 3.964 -14.162 1.00 0.00 C ATOM 1038 O ARG A 88 2.335 4.978 -14.768 1.00 0.00 O ATOM 1039 CB ARG A 88 3.295 1.923 -14.772 1.00 0.00 C ATOM 1040 CG ARG A 88 3.615 2.548 -16.120 1.00 0.00 C ATOM 1041 CD ARG A 88 5.099 2.851 -16.255 1.00 0.00 C ATOM 1042 NE ARG A 88 5.390 3.643 -17.447 1.00 0.00 N ATOM 1043 CZ ARG A 88 6.607 4.067 -17.770 1.00 0.00 C ATOM 1044 NH1 ARG A 88 7.641 3.774 -16.993 1.00 0.00 N ATOM 1045 NH2 ARG A 88 6.791 4.784 -18.870 1.00 0.00 N ATOM 0 H ARG A 88 2.239 1.318 -12.606 1.00 0.00 H new ATOM 0 HA ARG A 88 3.934 3.479 -13.434 1.00 0.00 H new ATOM 0 HB2 ARG A 88 4.131 1.295 -14.464 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.429 1.270 -14.880 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.306 1.873 -16.918 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.042 3.467 -16.241 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.441 3.388 -15.370 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.658 1.916 -16.296 1.00 0.00 H new ATOM 0 HE ARG A 88 4.616 3.884 -18.066 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.503 3.222 -16.146 1.00 0.00 H new ATOM 0 HH12 ARG A 88 8.575 4.100 -17.242 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.998 5.011 -19.470 1.00 0.00 H new ATOM 0 HH22 ARG A 88 7.726 5.109 -19.117 1.00 0.00 H new ATOM 1059 N THR A 89 0.712 3.686 -13.895 1.00 0.00 N ATOM 1060 CA THR A 89 -0.368 4.573 -14.310 1.00 0.00 C ATOM 1061 C THR A 89 -1.401 4.738 -13.201 1.00 0.00 C ATOM 1062 O THR A 89 -1.686 3.798 -12.459 1.00 0.00 O ATOM 1063 CB THR A 89 -1.071 4.049 -15.576 1.00 0.00 C ATOM 1064 OG1 THR A 89 -1.752 2.823 -15.287 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.069 3.826 -16.698 1.00 0.00 C ATOM 0 H THR A 89 0.404 2.853 -13.393 1.00 0.00 H new ATOM 0 HA THR A 89 0.085 5.540 -14.529 1.00 0.00 H new ATOM 0 HB THR A 89 -1.794 4.798 -15.899 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.385 2.623 -16.008 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.589 3.456 -17.582 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.426 4.767 -16.936 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.675 3.095 -16.382 1.00 0.00 H new ATOM 1073 N THR A 90 -1.959 5.941 -13.092 1.00 0.00 N ATOM 1074 CA THR A 90 -2.959 6.229 -12.072 1.00 0.00 C ATOM 1075 C THR A 90 -4.095 5.213 -12.114 1.00 0.00 C ATOM 1076 O THR A 90 -4.354 4.518 -11.131 1.00 0.00 O ATOM 1077 CB THR A 90 -3.544 7.643 -12.244 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.500 8.571 -12.561 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.259 8.090 -10.977 1.00 0.00 C ATOM 0 H THR A 90 -1.735 6.730 -13.698 1.00 0.00 H new ATOM 0 HA THR A 90 -2.455 6.167 -11.108 1.00 0.00 H new ATOM 0 HB THR A 90 -4.266 7.617 -13.060 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.881 9.467 -12.670 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.664 9.092 -11.122 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.072 7.399 -10.755 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.554 8.101 -10.146 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.768 5.130 -13.257 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.876 4.198 -13.425 1.00 0.00 C ATOM 1089 C GLU A 91 -5.627 2.911 -12.646 1.00 0.00 C ATOM 1090 O GLU A 91 -6.396 2.553 -11.754 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.083 3.878 -14.907 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.373 5.103 -15.759 1.00 0.00 C ATOM 1093 CD GLU A 91 -6.262 4.819 -17.244 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -6.869 3.830 -17.706 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -5.569 5.585 -17.945 1.00 0.00 O ATOM 0 H GLU A 91 -4.565 5.697 -14.080 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.777 4.671 -13.034 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.192 3.381 -15.291 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.908 3.173 -15.006 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.376 5.467 -15.536 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.678 5.900 -15.492 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.546 2.217 -12.990 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.195 0.968 -12.324 1.00 0.00 C ATOM 1104 C GLU A 92 -4.206 1.139 -10.807 1.00 0.00 C ATOM 1105 O GLU A 92 -4.881 0.398 -10.093 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.818 0.488 -12.784 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.809 -0.071 -14.196 1.00 0.00 C ATOM 1108 CD GLU A 92 -3.856 0.571 -15.085 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -5.060 0.396 -14.805 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -3.470 1.250 -16.061 1.00 0.00 O ATOM 0 H GLU A 92 -3.898 2.499 -13.726 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.941 0.220 -12.594 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.115 1.319 -12.727 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.461 -0.279 -12.096 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.823 0.079 -14.636 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.981 -1.147 -14.158 1.00 0.00 H new ATOM 1117 N SER A 93 -3.452 2.121 -10.323 1.00 0.00 N ATOM 1118 CA SER A 93 -3.370 2.387 -8.892 1.00 0.00 C ATOM 1119 C SER A 93 -4.758 2.386 -8.258 1.00 0.00 C ATOM 1120 O SER A 93 -5.043 1.595 -7.359 1.00 0.00 O ATOM 1121 CB SER A 93 -2.683 3.730 -8.639 1.00 0.00 C ATOM 1122 OG SER A 93 -3.096 4.291 -7.405 1.00 0.00 O ATOM 0 H SER A 93 -2.889 2.745 -10.901 1.00 0.00 H new ATOM 0 HA SER A 93 -2.780 1.593 -8.434 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.602 3.594 -8.636 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.915 4.419 -9.451 1.00 0.00 H new ATOM 0 HG SER A 93 -3.383 5.217 -7.546 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.619 3.277 -8.736 1.00 0.00 N ATOM 1129 CA LYS A 94 -6.980 3.381 -8.220 1.00 0.00 C ATOM 1130 C LYS A 94 -7.659 2.015 -8.200 1.00 0.00 C ATOM 1131 O LYS A 94 -8.200 1.595 -7.177 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.797 4.356 -9.070 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.419 5.812 -8.857 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.674 6.642 -10.104 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.161 6.855 -10.338 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.422 8.029 -11.217 1.00 0.00 N ATOM 0 H LYS A 94 -5.399 3.939 -9.481 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.927 3.757 -7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.666 4.105 -10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.855 4.227 -8.841 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.992 6.220 -8.024 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.366 5.879 -8.583 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.178 7.608 -10.007 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.236 6.144 -10.969 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.589 5.960 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.662 6.999 -9.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.447 8.140 -11.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.036 8.887 -10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.965 7.880 -12.139 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.625 1.325 -9.336 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.238 0.007 -9.448 1.00 0.00 C ATOM 1152 C ARG A 95 -7.845 -0.877 -8.268 1.00 0.00 C ATOM 1153 O ARG A 95 -8.675 -1.596 -7.714 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.825 -0.660 -10.760 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.114 -2.152 -10.802 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.373 -2.832 -11.943 1.00 0.00 C ATOM 1157 NE ARG A 95 -8.110 -2.750 -13.200 1.00 0.00 N ATOM 1158 CZ ARG A 95 -7.829 -3.491 -14.266 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -6.834 -4.365 -14.226 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.547 -3.359 -15.375 1.00 0.00 N ATOM 0 H ARG A 95 -7.179 1.657 -10.191 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.320 0.134 -9.439 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.346 -0.174 -11.585 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.759 -0.500 -10.919 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.822 -2.607 -9.855 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.186 -2.313 -10.916 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.394 -2.369 -12.066 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.201 -3.879 -11.691 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.883 -2.088 -13.263 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.282 -4.470 -13.375 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -6.621 -4.933 -15.046 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -9.315 -2.688 -15.409 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.331 -3.928 -16.193 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.572 -0.818 -7.890 1.00 0.00 N ATOM 1175 CA ALA A 96 -6.068 -1.611 -6.776 1.00 0.00 C ATOM 1176 C ALA A 96 -6.496 -1.015 -5.439 1.00 0.00 C ATOM 1177 O ALA A 96 -6.727 -1.739 -4.471 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.553 -1.720 -6.848 1.00 0.00 C ATOM 0 H ALA A 96 -5.871 -0.229 -8.339 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.496 -2.611 -6.851 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.191 -2.315 -6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.267 -2.200 -7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.114 -0.723 -6.802 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.596 0.308 -5.393 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.993 1.003 -4.174 1.00 0.00 C ATOM 1186 C TYR A 97 -8.430 0.659 -3.794 1.00 0.00 C ATOM 1187 O TYR A 97 -8.756 0.515 -2.615 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.849 2.515 -4.353 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.638 3.322 -3.348 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.150 3.543 -2.066 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.874 3.865 -3.679 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.868 4.278 -1.144 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.599 4.603 -2.765 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.093 4.807 -1.498 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.811 5.542 -0.583 1.00 0.00 O ATOM 0 H TYR A 97 -6.408 0.921 -6.186 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.335 0.675 -3.369 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.795 2.783 -4.274 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.173 2.786 -5.358 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.191 3.132 -1.786 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.274 3.707 -4.669 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.474 4.438 -0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.557 5.018 -3.040 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.650 5.843 -0.991 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.287 0.529 -4.802 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.689 0.200 -4.576 1.00 0.00 C ATOM 1207 C VAL A 98 -10.898 -1.309 -4.517 1.00 0.00 C ATOM 1208 O VAL A 98 -11.916 -1.788 -4.018 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.588 0.788 -5.678 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -13.049 0.744 -5.257 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.163 2.212 -6.009 1.00 0.00 C ATOM 0 H VAL A 98 -9.034 0.647 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.966 0.640 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.475 0.181 -6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.669 1.164 -6.049 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.344 -0.289 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.183 1.326 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.809 2.612 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.245 2.833 -5.117 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.130 2.212 -6.357 1.00 0.00 H new ATOM 1221 N THR A 99 -9.924 -2.056 -5.028 1.00 0.00 N ATOM 1222 CA THR A 99 -10.000 -3.511 -5.035 1.00 0.00 C ATOM 1223 C THR A 99 -9.165 -4.110 -3.910 1.00 0.00 C ATOM 1224 O THR A 99 -9.693 -4.767 -3.012 1.00 0.00 O ATOM 1225 CB THR A 99 -9.523 -4.092 -6.379 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.417 -3.700 -7.428 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.444 -5.610 -6.314 1.00 0.00 C ATOM 0 H THR A 99 -9.073 -1.676 -5.443 1.00 0.00 H new ATOM 0 HA THR A 99 -11.047 -3.774 -4.886 1.00 0.00 H new ATOM 0 HB THR A 99 -8.527 -3.700 -6.586 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.105 -2.861 -7.827 1.00 0.00 H new ATOM 0 HG21 THR A 99 -9.105 -5.998 -7.274 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.741 -5.905 -5.535 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.429 -6.016 -6.086 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.857 -3.881 -3.964 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.947 -4.397 -2.947 1.00 0.00 C ATOM 1237 C LEU A 100 -7.398 -3.981 -1.550 1.00 0.00 C ATOM 1238 O LEU A 100 -7.482 -4.807 -0.643 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.525 -3.898 -3.207 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.995 -4.092 -4.628 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.531 -3.688 -4.711 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.177 -5.535 -5.073 1.00 0.00 C ATOM 0 H LEU A 100 -7.403 -3.342 -4.701 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.959 -5.486 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.485 -2.835 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.851 -4.406 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.567 -3.451 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.171 -3.833 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.427 -2.639 -4.435 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.945 -4.303 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.794 -5.654 -6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.631 -6.195 -4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.236 -5.791 -5.053 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.687 -2.694 -1.386 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.131 -2.168 -0.101 1.00 0.00 C ATOM 1256 C ASN A 101 -9.339 -2.942 0.417 1.00 0.00 C ATOM 1257 O ASN A 101 -10.438 -2.831 -0.124 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.478 -0.684 -0.227 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.692 -0.023 1.123 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -8.971 -0.693 2.117 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.562 1.297 1.162 1.00 0.00 N ATOM 0 H ASN A 101 -7.622 -1.996 -2.127 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.315 -2.285 0.612 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.676 -0.170 -0.757 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.380 -0.574 -0.829 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.694 1.797 2.041 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.330 1.812 0.313 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.127 -3.728 1.468 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.207 -4.510 2.041 1.00 0.00 C ATOM 1270 C GLY A 102 -10.120 -5.976 1.672 1.00 0.00 C ATOM 1271 O GLY A 102 -10.714 -6.828 2.333 1.00 0.00 O ATOM 0 H GLY A 102 -8.226 -3.837 1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.188 -4.410 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.162 -4.109 1.701 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.380 -6.275 0.608 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.218 -7.650 0.150 1.00 0.00 C ATOM 1277 C LYS A 103 -8.347 -8.447 1.117 1.00 0.00 C ATOM 1278 O LYS A 103 -7.444 -7.899 1.747 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.598 -7.672 -1.249 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.530 -9.060 -1.862 1.00 0.00 C ATOM 1281 CD LYS A 103 -8.053 -9.010 -3.304 1.00 0.00 C ATOM 1282 CE LYS A 103 -8.042 -10.394 -3.935 1.00 0.00 C ATOM 1283 NZ LYS A 103 -9.420 -10.891 -4.205 1.00 0.00 N ATOM 0 H LYS A 103 -8.883 -5.583 0.047 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.204 -8.113 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.178 -7.022 -1.905 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.591 -7.257 -1.198 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -7.856 -9.685 -1.276 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.514 -9.526 -1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.702 -8.351 -3.881 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -7.051 -8.583 -3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.478 -10.364 -4.867 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.528 -11.091 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.369 -11.790 -4.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.918 -11.041 -3.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.937 -10.190 -4.774 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.626 -9.742 1.225 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.866 -10.613 2.115 1.00 0.00 C ATOM 1299 C GLU A 104 -6.689 -11.249 1.379 1.00 0.00 C ATOM 1300 O GLU A 104 -6.795 -11.604 0.206 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.771 -11.703 2.692 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.456 -11.305 3.988 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.607 -12.225 4.347 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -11.511 -12.401 3.505 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -10.602 -12.767 5.471 1.00 0.00 O ATOM 0 H GLU A 104 -9.371 -10.211 0.709 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.476 -10.005 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.531 -11.960 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.178 -12.601 2.866 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.726 -11.311 4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.826 -10.284 3.900 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.568 -11.387 2.079 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.371 -11.981 1.495 1.00 0.00 C ATOM 1314 C VAL A 105 -3.672 -12.902 2.489 1.00 0.00 C ATOM 1315 O VAL A 105 -3.555 -12.581 3.673 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.378 -10.899 1.029 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -4.090 -9.846 0.195 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.684 -10.264 2.224 1.00 0.00 C ATOM 0 H VAL A 105 -5.463 -11.096 3.051 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.696 -12.563 0.632 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.619 -11.371 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.373 -9.090 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.537 -10.317 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.871 -9.376 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.986 -9.502 1.877 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.428 -9.805 2.875 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.140 -11.029 2.778 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.209 -14.048 2.001 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.520 -15.016 2.845 1.00 0.00 C ATOM 1330 C VAL A 106 -1.055 -14.637 3.033 1.00 0.00 C ATOM 1331 O VAL A 106 -0.283 -14.608 2.074 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.600 -16.435 2.254 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.548 -17.337 2.883 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -3.993 -17.014 2.445 1.00 0.00 C ATOM 0 H VAL A 106 -3.299 -14.329 1.025 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.022 -15.005 3.812 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.400 -16.375 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -1.620 -18.336 2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.556 -16.929 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.713 -17.393 3.959 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.031 -18.018 2.021 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.225 -17.060 3.509 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.723 -16.380 1.942 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.678 -14.348 4.274 1.00 0.00 N ATOM 1345 CA ASP A 107 0.696 -13.972 4.588 1.00 0.00 C ATOM 1346 C ASP A 107 1.616 -15.188 4.542 1.00 0.00 C ATOM 1347 O ASP A 107 1.165 -16.312 4.316 1.00 0.00 O ATOM 1348 CB ASP A 107 0.765 -13.317 5.968 1.00 0.00 C ATOM 1349 CG ASP A 107 0.793 -14.335 7.091 1.00 0.00 C ATOM 1350 OD1 ASP A 107 0.212 -15.426 6.917 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.396 -14.040 8.145 1.00 0.00 O ATOM 0 H ASP A 107 -1.304 -14.367 5.079 1.00 0.00 H new ATOM 0 HA ASP A 107 1.032 -13.256 3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.656 -12.692 6.026 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.095 -12.660 6.099 1.00 0.00 H new ATOM 1356 N ASP A 108 2.905 -14.956 4.757 1.00 0.00 N ATOM 1357 CA ASP A 108 3.890 -16.032 4.740 1.00 0.00 C ATOM 1358 C ASP A 108 3.524 -17.119 5.746 1.00 0.00 C ATOM 1359 O ASP A 108 3.816 -18.298 5.538 1.00 0.00 O ATOM 1360 CB ASP A 108 5.284 -15.483 5.048 1.00 0.00 C ATOM 1361 CG ASP A 108 6.383 -16.464 4.695 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.197 -17.248 3.740 1.00 0.00 O ATOM 1363 OD2 ASP A 108 7.433 -16.448 5.372 1.00 0.00 O ATOM 0 H ASP A 108 3.294 -14.032 4.945 1.00 0.00 H new ATOM 0 HA ASP A 108 3.894 -16.471 3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.437 -14.556 4.495 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.348 -15.236 6.108 1.00 0.00 H new ATOM 1368 N LEU A 109 2.883 -16.716 6.838 1.00 0.00 N ATOM 1369 CA LEU A 109 2.478 -17.655 7.877 1.00 0.00 C ATOM 1370 C LEU A 109 1.364 -18.571 7.380 1.00 0.00 C ATOM 1371 O LEU A 109 1.252 -19.719 7.809 1.00 0.00 O ATOM 1372 CB LEU A 109 2.013 -16.898 9.123 1.00 0.00 C ATOM 1373 CG LEU A 109 2.998 -15.879 9.695 1.00 0.00 C ATOM 1374 CD1 LEU A 109 2.382 -15.148 10.878 1.00 0.00 C ATOM 1375 CD2 LEU A 109 4.295 -16.562 10.105 1.00 0.00 C ATOM 0 H LEU A 109 2.633 -15.745 7.026 1.00 0.00 H new ATOM 0 HA LEU A 109 3.341 -18.269 8.133 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.084 -16.381 8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.781 -17.626 9.901 1.00 0.00 H new ATOM 0 HG LEU A 109 3.225 -15.147 8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.097 -14.426 11.273 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.481 -14.626 10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.125 -15.867 11.656 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.984 -15.821 10.510 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.085 -17.316 10.864 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.746 -17.039 9.235 1.00 0.00 H new ATOM 1387 N GLY A 110 0.543 -18.056 6.469 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.550 -18.842 5.927 1.00 0.00 C ATOM 1389 C GLY A 110 -1.900 -18.398 6.454 1.00 0.00 C ATOM 1390 O GLY A 110 -2.867 -19.159 6.418 1.00 0.00 O ATOM 0 H GLY A 110 0.616 -17.109 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.545 -18.765 4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.395 -19.893 6.173 1.00 0.00 H new ATOM 1394 N GLN A 111 -1.966 -17.165 6.944 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.209 -16.623 7.483 1.00 0.00 C ATOM 1396 C GLN A 111 -3.716 -15.468 6.625 1.00 0.00 C ATOM 1397 O GLN A 111 -2.931 -14.760 5.992 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.002 -16.152 8.923 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.474 -17.237 9.848 1.00 0.00 C ATOM 1400 CD GLN A 111 -2.839 -16.994 11.300 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -1.965 -16.857 12.157 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -4.135 -16.938 11.584 1.00 0.00 N ATOM 0 H GLN A 111 -1.175 -16.522 6.979 1.00 0.00 H new ATOM 0 HA GLN A 111 -3.957 -17.416 7.472 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.306 -15.313 8.926 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -3.949 -15.781 9.315 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -2.871 -18.202 9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.389 -17.293 9.754 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -4.825 -17.057 10.842 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.440 -16.776 12.544 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.031 -15.284 6.608 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.644 -14.214 5.830 1.00 0.00 C ATOM 1413 C LYS A 112 -5.577 -12.888 6.580 1.00 0.00 C ATOM 1414 O LYS A 112 -6.026 -12.787 7.723 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.100 -14.558 5.509 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.254 -15.765 4.600 1.00 0.00 C ATOM 1417 CD LYS A 112 -7.193 -15.370 3.134 1.00 0.00 C ATOM 1418 CE LYS A 112 -8.572 -15.037 2.588 1.00 0.00 C ATOM 1419 NZ LYS A 112 -9.371 -16.262 2.310 1.00 0.00 N ATOM 0 H LYS A 112 -5.694 -15.862 7.124 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.087 -14.112 4.898 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.634 -14.745 6.441 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.573 -13.696 5.038 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.467 -16.487 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.204 -16.258 4.806 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -6.536 -14.508 3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.758 -16.184 2.555 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.104 -14.411 3.304 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.469 -14.455 1.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.255 -15.998 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.824 -16.902 1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.593 -16.742 3.205 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.018 -11.873 5.930 1.00 0.00 N ATOM 1434 CA ILE A 113 -4.897 -10.553 6.536 1.00 0.00 C ATOM 1435 C ILE A 113 -5.583 -9.491 5.683 1.00 0.00 C ATOM 1436 O ILE A 113 -5.525 -9.532 4.453 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.422 -10.159 6.737 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.630 -11.338 7.306 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.316 -8.951 7.655 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.191 -11.000 7.629 1.00 0.00 C ATOM 0 H ILE A 113 -4.642 -11.939 4.984 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.386 -10.607 7.508 1.00 0.00 H new ATOM 0 HB ILE A 113 -2.997 -9.893 5.769 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.123 -11.694 8.211 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.650 -12.158 6.589 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.267 -8.685 7.787 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -3.851 -8.110 7.213 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -3.754 -9.191 8.624 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.691 -11.882 8.028 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.682 -10.673 6.722 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.162 -10.201 8.370 1.00 0.00 H new ATOM 1452 N THR A 114 -6.231 -8.537 6.343 1.00 0.00 N ATOM 1453 CA THR A 114 -6.928 -7.462 5.645 1.00 0.00 C ATOM 1454 C THR A 114 -6.030 -6.242 5.480 1.00 0.00 C ATOM 1455 O THR A 114 -5.770 -5.514 6.439 1.00 0.00 O ATOM 1456 CB THR A 114 -8.209 -7.046 6.393 1.00 0.00 C ATOM 1457 OG1 THR A 114 -8.850 -8.200 6.948 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.169 -6.325 5.460 1.00 0.00 C ATOM 0 H THR A 114 -6.288 -8.486 7.360 1.00 0.00 H new ATOM 0 HA THR A 114 -7.199 -7.846 4.661 1.00 0.00 H new ATOM 0 HB THR A 114 -7.929 -6.366 7.197 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.662 -7.926 7.423 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.066 -6.041 6.010 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.688 -5.431 5.063 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.442 -6.986 4.637 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.559 -6.022 4.257 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.690 -4.888 3.965 1.00 0.00 C ATOM 1468 C LEU A 115 -5.488 -3.726 3.381 1.00 0.00 C ATOM 1469 O LEU A 115 -6.330 -3.918 2.503 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.586 -5.303 2.991 1.00 0.00 C ATOM 1471 CG LEU A 115 -2.963 -6.678 3.231 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -1.843 -6.939 2.235 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.445 -6.789 4.658 1.00 0.00 C ATOM 0 H LEU A 115 -5.764 -6.614 3.452 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.237 -4.560 4.900 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.994 -5.282 1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.794 -4.555 3.031 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.735 -7.434 3.086 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.412 -7.923 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.242 -6.904 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.071 -6.177 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.005 -7.775 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.689 -6.024 4.831 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.270 -6.648 5.356 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.216 -2.522 3.871 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.909 -1.330 3.398 1.00 0.00 C ATOM 1487 C TYR A 116 -4.958 -0.415 2.632 1.00 0.00 C ATOM 1488 O TYR A 116 -3.890 -0.055 3.127 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.526 -0.572 4.574 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.827 -1.167 5.062 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.839 -2.326 5.830 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -9.044 -0.571 4.757 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -9.026 -2.874 6.278 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.236 -1.111 5.203 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.222 -2.262 5.961 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.406 -2.805 6.406 1.00 0.00 O ATOM 0 H TYR A 116 -4.520 -2.346 4.596 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.703 -1.647 2.722 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.813 -0.554 5.398 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.698 0.463 4.278 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.905 -2.806 6.081 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.059 0.330 4.161 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -9.018 -3.776 6.873 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.173 -0.633 4.959 1.00 0.00 H new ATOM 0 HH TYR A 116 -11.254 -3.270 7.255 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.355 -0.042 1.420 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.540 0.832 0.584 1.00 0.00 C ATOM 1508 C LEU A 117 -5.085 2.256 0.589 1.00 0.00 C ATOM 1509 O LEU A 117 -6.264 2.480 0.318 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.491 0.299 -0.849 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.534 -0.868 -1.099 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.153 -2.176 -0.630 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.165 -0.949 -2.573 1.00 0.00 C ATOM 0 H LEU A 117 -6.236 -0.331 0.995 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.531 0.848 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.496 -0.014 -1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.213 1.119 -1.511 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.623 -0.695 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.458 -2.995 -0.816 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.366 -2.116 0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.080 -2.356 -1.175 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.484 -1.785 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.067 -1.098 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.679 -0.022 -2.878 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.219 3.215 0.899 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.614 4.618 0.939 1.00 0.00 C ATOM 1527 C ASN A 118 -3.811 5.438 -0.066 1.00 0.00 C ATOM 1528 O ASN A 118 -2.626 5.184 -0.284 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.420 5.185 2.346 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.646 4.998 3.219 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -6.524 5.861 3.268 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -5.713 3.869 3.914 1.00 0.00 N ATOM 0 H ASN A 118 -3.239 3.046 1.126 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.669 4.680 0.672 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.565 4.699 2.816 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.185 6.247 2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -6.515 3.689 4.519 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -4.963 3.181 3.843 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.463 6.423 -0.675 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.811 7.280 -1.657 1.00 0.00 C ATOM 1541 C PHE A 119 -2.796 8.202 -0.986 1.00 0.00 C ATOM 1542 O PHE A 119 -3.118 8.910 -0.032 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.850 8.111 -2.411 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.615 7.328 -3.439 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -4.952 6.675 -4.465 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -6.997 7.243 -3.378 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.653 5.952 -5.412 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.702 6.520 -4.321 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.030 5.875 -5.341 1.00 0.00 C ATOM 0 H PHE A 119 -5.443 6.647 -0.505 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.283 6.641 -2.365 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.552 8.537 -1.694 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.349 8.946 -2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.875 6.731 -4.526 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.529 7.747 -2.585 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.124 5.448 -6.207 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.779 6.459 -4.261 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.580 5.312 -6.081 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.566 8.186 -1.492 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.504 9.019 -0.943 1.00 0.00 C ATOM 1561 C VAL A 120 0.180 9.831 -2.038 1.00 0.00 C ATOM 1562 O VAL A 120 0.237 9.408 -3.192 1.00 0.00 O ATOM 1563 CB VAL A 120 0.554 8.171 -0.211 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.042 7.533 1.034 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.123 7.112 -1.143 1.00 0.00 C ATOM 0 H VAL A 120 -1.282 7.605 -2.281 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.972 9.698 -0.230 1.00 0.00 H new ATOM 0 HB VAL A 120 1.369 8.825 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.720 6.938 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.398 8.313 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.875 6.890 0.750 1.00 0.00 H new ATOM 0 HG21 VAL A 120 1.869 6.522 -0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.320 6.459 -1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.588 7.595 -2.002 1.00 0.00 H new ATOM 1575 N GLU A 121 0.697 10.998 -1.667 1.00 0.00 N ATOM 1576 CA GLU A 121 1.376 11.868 -2.619 1.00 0.00 C ATOM 1577 C GLU A 121 2.866 11.961 -2.304 1.00 0.00 C ATOM 1578 O GLU A 121 3.698 12.074 -3.205 1.00 0.00 O ATOM 1579 CB GLU A 121 0.752 13.266 -2.602 1.00 0.00 C ATOM 1580 CG GLU A 121 0.624 13.858 -1.209 1.00 0.00 C ATOM 1581 CD GLU A 121 0.667 15.374 -1.213 1.00 0.00 C ATOM 1582 OE1 GLU A 121 1.224 15.949 -2.171 1.00 0.00 O ATOM 1583 OE2 GLU A 121 0.142 15.986 -0.259 1.00 0.00 O ATOM 0 H GLU A 121 0.659 11.362 -0.715 1.00 0.00 H new ATOM 0 HA GLU A 121 1.258 11.437 -3.613 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.357 13.932 -3.217 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.236 13.219 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.313 13.526 -0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.429 13.477 -0.581 1.00 0.00 H new ATOM 1590 N LYS A 122 3.197 11.914 -1.018 1.00 0.00 N ATOM 1591 CA LYS A 122 4.585 11.992 -0.581 1.00 0.00 C ATOM 1592 C LYS A 122 5.011 10.701 0.112 1.00 0.00 C ATOM 1593 O LYS A 122 4.403 10.285 1.098 1.00 0.00 O ATOM 1594 CB LYS A 122 4.778 13.179 0.365 1.00 0.00 C ATOM 1595 CG LYS A 122 4.738 14.527 -0.334 1.00 0.00 C ATOM 1596 CD LYS A 122 4.769 15.673 0.663 1.00 0.00 C ATOM 1597 CE LYS A 122 6.186 15.969 1.129 1.00 0.00 C ATOM 1598 NZ LYS A 122 6.961 16.719 0.103 1.00 0.00 N ATOM 0 H LYS A 122 2.521 11.822 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 122 5.210 12.133 -1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.002 13.153 1.130 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.734 13.073 0.877 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.587 14.611 -1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.836 14.596 -0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.341 16.566 0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 122 4.146 15.425 1.523 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.151 16.547 2.052 1.00 0.00 H new ATOM 0 HE3 LYS A 122 6.696 15.033 1.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 7.885 16.990 0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 7.103 16.117 -0.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.437 17.575 -0.171 1.00 0.00 H new ATOM 1612 N VAL A 123 6.060 10.073 -0.410 1.00 0.00 N ATOM 1613 CA VAL A 123 6.569 8.831 0.161 1.00 0.00 C ATOM 1614 C VAL A 123 8.092 8.783 0.105 1.00 0.00 C ATOM 1615 O VAL A 123 8.692 9.043 -0.937 1.00 0.00 O ATOM 1616 CB VAL A 123 6.000 7.602 -0.574 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.700 6.333 -0.111 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.498 7.502 -0.360 1.00 0.00 C ATOM 0 H VAL A 123 6.574 10.404 -1.227 1.00 0.00 H new ATOM 0 HA VAL A 123 6.246 8.805 1.202 1.00 0.00 H new ATOM 0 HB VAL A 123 6.184 7.720 -1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.286 5.475 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.767 6.409 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.550 6.205 0.961 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.113 6.628 -0.886 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.288 7.406 0.705 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.015 8.400 -0.746 1.00 0.00 H new ATOM 1628 N GLN A 124 8.709 8.450 1.235 1.00 0.00 N ATOM 1629 CA GLN A 124 10.164 8.370 1.313 1.00 0.00 C ATOM 1630 C GLN A 124 10.693 7.236 0.442 1.00 0.00 C ATOM 1631 O GLN A 124 11.071 6.178 0.946 1.00 0.00 O ATOM 1632 CB GLN A 124 10.605 8.165 2.763 1.00 0.00 C ATOM 1633 CG GLN A 124 10.013 6.923 3.409 1.00 0.00 C ATOM 1634 CD GLN A 124 9.949 7.024 4.921 1.00 0.00 C ATOM 1635 OE1 GLN A 124 10.965 6.902 5.606 1.00 0.00 O ATOM 1636 NE2 GLN A 124 8.752 7.251 5.449 1.00 0.00 N ATOM 0 H GLN A 124 8.226 8.232 2.107 1.00 0.00 H new ATOM 0 HA GLN A 124 10.577 9.309 0.944 1.00 0.00 H new ATOM 0 HB2 GLN A 124 11.692 8.099 2.797 1.00 0.00 H new ATOM 0 HB3 GLN A 124 10.320 9.040 3.348 1.00 0.00 H new ATOM 0 HG2 GLN A 124 9.009 6.758 3.017 1.00 0.00 H new ATOM 0 HG3 GLN A 124 10.610 6.054 3.132 1.00 0.00 H new ATOM 0 HE21 GLN A 124 7.937 7.345 4.843 1.00 0.00 H new ATOM 0 HE22 GLN A 124 8.648 7.331 6.460 1.00 0.00 H new ATOM 1645 N TRP A 125 10.718 7.464 -0.866 1.00 0.00 N ATOM 1646 CA TRP A 125 11.202 6.460 -1.807 1.00 0.00 C ATOM 1647 C TRP A 125 12.718 6.320 -1.721 1.00 0.00 C ATOM 1648 O TRP A 125 13.410 7.232 -1.269 1.00 0.00 O ATOM 1649 CB TRP A 125 10.791 6.829 -3.233 1.00 0.00 C ATOM 1650 CG TRP A 125 9.311 6.768 -3.460 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.454 7.826 -3.567 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.514 5.587 -3.605 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.173 7.373 -3.771 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.183 6.004 -3.799 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.797 4.218 -3.593 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.139 5.100 -3.977 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.759 3.323 -3.770 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.444 3.766 -3.961 1.00 0.00 C ATOM 0 H TRP A 125 10.409 8.334 -1.299 1.00 0.00 H new ATOM 0 HA TRP A 125 10.752 5.503 -1.543 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.144 7.836 -3.456 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.286 6.155 -3.932 1.00 0.00 H new ATOM 0 HD1 TRP A 125 8.741 8.865 -3.501 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.348 7.962 -3.883 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.808 3.866 -3.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.124 5.440 -4.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.965 2.263 -3.761 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.656 3.041 -4.098 1.00 0.00 H new ATOM 1669 N SER A 126 13.227 5.173 -2.159 1.00 0.00 N ATOM 1670 CA SER A 126 14.662 4.912 -2.128 1.00 0.00 C ATOM 1671 C SER A 126 15.398 5.813 -3.114 1.00 0.00 C ATOM 1672 O SER A 126 16.449 6.370 -2.798 1.00 0.00 O ATOM 1673 CB SER A 126 14.942 3.444 -2.453 1.00 0.00 C ATOM 1674 OG SER A 126 14.344 3.071 -3.684 1.00 0.00 O ATOM 0 H SER A 126 12.668 4.410 -2.539 1.00 0.00 H new ATOM 0 HA SER A 126 15.025 5.129 -1.123 1.00 0.00 H new ATOM 0 HB2 SER A 126 16.018 3.278 -2.503 1.00 0.00 H new ATOM 0 HB3 SER A 126 14.559 2.811 -1.652 1.00 0.00 H new ATOM 0 HG SER A 126 14.539 2.129 -3.870 1.00 0.00 H new ATOM 1680 N GLY A 127 14.839 5.951 -4.312 1.00 0.00 N ATOM 1681 CA GLY A 127 15.456 6.786 -5.327 1.00 0.00 C ATOM 1682 C GLY A 127 16.877 6.361 -5.642 1.00 0.00 C ATOM 1683 O GLY A 127 17.551 5.725 -4.831 1.00 0.00 O ATOM 0 H GLY A 127 13.970 5.500 -4.598 1.00 0.00 H new ATOM 0 HA2 GLY A 127 14.858 6.747 -6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 127 15.456 7.822 -4.990 1.00 0.00 H new ATOM 1687 N PRO A 128 17.351 6.715 -6.846 1.00 0.00 N ATOM 1688 CA PRO A 128 18.705 6.375 -7.294 1.00 0.00 C ATOM 1689 C PRO A 128 19.778 7.149 -6.535 1.00 0.00 C ATOM 1690 O PRO A 128 19.666 8.360 -6.345 1.00 0.00 O ATOM 1691 CB PRO A 128 18.701 6.776 -8.770 1.00 0.00 C ATOM 1692 CG PRO A 128 17.656 7.832 -8.874 1.00 0.00 C ATOM 1693 CD PRO A 128 16.603 7.473 -7.862 1.00 0.00 C ATOM 0 HA PRO A 128 18.939 5.324 -7.124 1.00 0.00 H new ATOM 0 HB2 PRO A 128 19.676 7.152 -9.080 1.00 0.00 H new ATOM 0 HB3 PRO A 128 18.469 5.925 -9.411 1.00 0.00 H new ATOM 0 HG2 PRO A 128 18.075 8.817 -8.669 1.00 0.00 H new ATOM 0 HG3 PRO A 128 17.236 7.867 -9.879 1.00 0.00 H new ATOM 0 HD2 PRO A 128 16.135 8.361 -7.437 1.00 0.00 H new ATOM 0 HD3 PRO A 128 15.807 6.874 -8.305 1.00 0.00 H new ATOM 1701 N SER A 129 20.816 6.442 -6.102 1.00 0.00 N ATOM 1702 CA SER A 129 21.909 7.063 -5.360 1.00 0.00 C ATOM 1703 C SER A 129 23.242 6.840 -6.067 1.00 0.00 C ATOM 1704 O SER A 129 24.047 7.761 -6.203 1.00 0.00 O ATOM 1705 CB SER A 129 21.971 6.501 -3.938 1.00 0.00 C ATOM 1706 OG SER A 129 21.002 7.112 -3.104 1.00 0.00 O ATOM 0 H SER A 129 20.924 5.439 -6.252 1.00 0.00 H new ATOM 0 HA SER A 129 21.720 8.135 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 129 21.807 5.424 -3.962 1.00 0.00 H new ATOM 0 HB3 SER A 129 22.966 6.663 -3.523 1.00 0.00 H new ATOM 0 HG SER A 129 21.062 6.734 -2.202 1.00 0.00 H new ATOM 1712 N SER A 130 23.467 5.609 -6.516 1.00 0.00 N ATOM 1713 CA SER A 130 24.704 5.263 -7.206 1.00 0.00 C ATOM 1714 C SER A 130 24.409 4.577 -8.537 1.00 0.00 C ATOM 1715 O SER A 130 23.640 3.618 -8.598 1.00 0.00 O ATOM 1716 CB SER A 130 25.564 4.351 -6.330 1.00 0.00 C ATOM 1717 OG SER A 130 24.954 3.083 -6.160 1.00 0.00 O ATOM 0 H SER A 130 22.810 4.836 -6.414 1.00 0.00 H new ATOM 0 HA SER A 130 25.251 6.185 -7.404 1.00 0.00 H new ATOM 0 HB2 SER A 130 26.547 4.227 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 130 25.719 4.817 -5.357 1.00 0.00 H new ATOM 0 HG SER A 130 24.293 2.940 -6.869 1.00 0.00 H new ATOM 1723 N GLY A 131 25.028 5.077 -9.603 1.00 0.00 N ATOM 1724 CA GLY A 131 24.820 4.501 -10.919 1.00 0.00 C ATOM 1725 C GLY A 131 24.547 5.553 -11.976 1.00 0.00 C ATOM 1726 O GLY A 131 23.402 5.754 -12.381 1.00 0.00 O ATOM 0 H GLY A 131 25.669 5.870 -9.578 1.00 0.00 H new ATOM 0 HA2 GLY A 131 25.700 3.925 -11.203 1.00 0.00 H new ATOM 0 HA3 GLY A 131 23.982 3.805 -10.879 1.00 0.00 H new TER 1730 GLY A 131