USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 493 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 103 CYS SG : rot 135:sc= -2.16! USER MOD Set 1.2: A 105 ASN : amide:sc= -6.81! K(o=-5.6!,f=3.2) USER MOD Set 1.3: A 106 CYS SG : rot 63:sc= 0.727 USER MOD Set 1.4: A 108 LYS NZ :NH3+ -148:sc= 0.977 (180deg=-3.85!) USER MOD Set 1.5: A 136 CYS SG : rot -115:sc= 2 USER MOD Set 1.6: A 138 SER OG : rot 180:sc= 0.0419 USER MOD Set 1.7: A 139 CYS SG : rot 96:sc= -0.329 USER MOD Set 2.1: A 81 TYR OH : rot 57:sc= 0.846 USER MOD Set 2.2: A 90 GLN : amide:sc= -1.48! K(o=-3.6!,f=-2.1) USER MOD Set 2.3: A 91 GLN : amide:sc= -1.11 K(o=-3.6,f=-2.1) USER MOD Set 2.4: A 92 TYR OH : rot -92:sc= 1.48 USER MOD Set 2.5: A 127 ASN : amide:sc= -3.38 K(o=-3.6,f=-4.5!) USER MOD Single : A 82 SER OG : rot 47:sc= 1.25 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 103:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= 1.22 (180deg=0.265) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -151:sc= 1.27 (180deg=0.748) USER MOD Single : A 116 GLN : amide:sc= -8.42! K(o=-8.4!,f=-1.8) USER MOD Single : A 118 HIS : no HE2:sc= -1.14 K(o=-1.1,f=-4.7!) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 170:sc= 0.627 (180deg=0.511) USER MOD Single : A 123 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.25) USER MOD Single : A 126 HIS : no HD1:sc= -1.24 K(o=-1.2,f=-0.15) USER MOD Single : A 133 THR OG1 : rot 64:sc= -6.35! USER MOD Single : A 137 MET CE :methyl -155:sc= -0.292 (180deg=-0.97) USER MOD ----------------------------------------------------------------- ATOM 48 N TYR A 81 53.680 3.774 -6.957 1.00 0.00 N ATOM 49 CA TYR A 81 53.624 5.203 -6.592 1.00 0.00 C ATOM 50 C TYR A 81 54.760 5.471 -5.622 1.00 0.00 C ATOM 51 O TYR A 81 55.395 4.546 -5.180 1.00 0.00 O ATOM 52 CB TYR A 81 52.263 5.562 -5.917 1.00 0.00 C ATOM 53 CG TYR A 81 51.916 4.667 -4.744 1.00 0.00 C ATOM 54 CD1 TYR A 81 51.378 3.423 -4.979 1.00 0.00 C ATOM 55 CD2 TYR A 81 52.157 5.040 -3.418 1.00 0.00 C ATOM 56 CE1 TYR A 81 51.091 2.565 -3.983 1.00 0.00 C ATOM 57 CE2 TYR A 81 51.857 4.180 -2.384 1.00 0.00 C ATOM 58 CZ TYR A 81 51.320 2.925 -2.688 1.00 0.00 C ATOM 59 OH TYR A 81 51.041 2.033 -1.708 1.00 0.00 O ATOM 0 HA TYR A 81 53.717 5.815 -7.489 1.00 0.00 H new ATOM 0 HB2 TYR A 81 52.297 6.597 -5.577 1.00 0.00 H new ATOM 0 HB3 TYR A 81 51.469 5.497 -6.661 1.00 0.00 H new ATOM 0 HD1 TYR A 81 51.179 3.125 -5.998 1.00 0.00 H new ATOM 0 HD2 TYR A 81 52.581 6.009 -3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 81 50.680 1.592 -4.209 1.00 0.00 H new ATOM 0 HE2 TYR A 81 52.033 4.470 -1.359 1.00 0.00 H new ATOM 0 HH TYR A 81 51.545 1.207 -1.864 1.00 0.00 H new ATOM 69 N SER A 82 55.016 6.694 -5.297 1.00 0.00 N ATOM 70 CA SER A 82 56.046 6.996 -4.330 1.00 0.00 C ATOM 71 C SER A 82 55.355 7.368 -3.010 1.00 0.00 C ATOM 72 O SER A 82 54.175 7.760 -3.022 1.00 0.00 O ATOM 73 CB SER A 82 56.917 8.163 -4.836 1.00 0.00 C ATOM 74 OG SER A 82 58.003 8.460 -3.949 1.00 0.00 O ATOM 0 H SER A 82 54.533 7.507 -5.680 1.00 0.00 H new ATOM 0 HA SER A 82 56.697 6.135 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 82 57.313 7.916 -5.821 1.00 0.00 H new ATOM 0 HB3 SER A 82 56.296 9.051 -4.955 1.00 0.00 H new ATOM 0 HG SER A 82 58.459 7.629 -3.700 1.00 0.00 H new ATOM 80 N LEU A 83 56.059 7.252 -1.895 1.00 0.00 N ATOM 81 CA LEU A 83 55.492 7.585 -0.605 1.00 0.00 C ATOM 82 C LEU A 83 56.639 7.841 0.369 1.00 0.00 C ATOM 83 O LEU A 83 57.828 7.768 -0.009 1.00 0.00 O ATOM 84 CB LEU A 83 54.661 6.406 -0.063 1.00 0.00 C ATOM 85 CG LEU A 83 53.488 6.766 0.910 1.00 0.00 C ATOM 86 CD1 LEU A 83 52.322 7.410 0.201 1.00 0.00 C ATOM 87 CD2 LEU A 83 53.039 5.601 1.756 1.00 0.00 C ATOM 0 H LEU A 83 57.026 6.929 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 83 54.852 8.461 -0.710 1.00 0.00 H new ATOM 0 HB2 LEU A 83 54.245 5.863 -0.912 1.00 0.00 H new ATOM 0 HB3 LEU A 83 55.335 5.723 0.454 1.00 0.00 H new ATOM 0 HG LEU A 83 53.902 7.508 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 83 51.538 7.638 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 83 52.652 8.331 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 83 51.932 6.727 -0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 83 52.224 5.917 2.408 1.00 0.00 H new ATOM 0 HD22 LEU A 83 52.694 4.794 1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 83 53.873 5.249 2.363 1.00 0.00 H new ATOM 99 N TYR A 84 56.282 8.125 1.588 1.00 0.00 N ATOM 100 CA TYR A 84 57.190 8.279 2.680 1.00 0.00 C ATOM 101 C TYR A 84 57.176 7.015 3.429 1.00 0.00 C ATOM 102 O TYR A 84 56.124 6.428 3.617 1.00 0.00 O ATOM 103 CB TYR A 84 56.724 9.418 3.569 1.00 0.00 C ATOM 104 CG TYR A 84 57.714 10.528 3.723 1.00 0.00 C ATOM 105 CD1 TYR A 84 58.438 10.992 2.641 1.00 0.00 C ATOM 106 CD2 TYR A 84 57.933 11.099 4.955 1.00 0.00 C ATOM 107 CE1 TYR A 84 59.362 12.010 2.789 1.00 0.00 C ATOM 108 CE2 TYR A 84 58.848 12.114 5.118 1.00 0.00 C ATOM 109 CZ TYR A 84 59.562 12.566 4.034 1.00 0.00 C ATOM 110 OH TYR A 84 60.485 13.583 4.198 1.00 0.00 O ATOM 0 H TYR A 84 55.307 8.261 1.856 1.00 0.00 H new ATOM 0 HA TYR A 84 58.196 8.509 2.330 1.00 0.00 H new ATOM 0 HB2 TYR A 84 55.800 9.826 3.161 1.00 0.00 H new ATOM 0 HB3 TYR A 84 56.488 9.019 4.555 1.00 0.00 H new ATOM 0 HD1 TYR A 84 58.280 10.554 1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 84 57.377 10.744 5.810 1.00 0.00 H new ATOM 0 HE1 TYR A 84 59.922 12.366 1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 84 59.004 12.553 6.092 1.00 0.00 H new ATOM 0 HH TYR A 84 60.501 13.862 5.137 1.00 0.00 H new ATOM 120 N GLY A 85 58.349 6.572 3.810 1.00 0.00 N ATOM 121 CA GLY A 85 58.493 5.369 4.536 1.00 0.00 C ATOM 122 C GLY A 85 57.618 5.282 5.696 1.00 0.00 C ATOM 123 O GLY A 85 56.810 4.374 5.813 1.00 0.00 O ATOM 0 H GLY A 85 59.228 7.052 3.615 1.00 0.00 H new ATOM 0 HA2 GLY A 85 58.290 4.528 3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 85 59.528 5.274 4.864 1.00 0.00 H new ATOM 127 N THR A 86 57.790 6.236 6.520 1.00 0.00 N ATOM 128 CA THR A 86 57.184 6.361 7.838 1.00 0.00 C ATOM 129 C THR A 86 55.637 6.052 7.848 1.00 0.00 C ATOM 130 O THR A 86 55.098 5.582 8.866 1.00 0.00 O ATOM 131 CB THR A 86 57.485 7.786 8.412 1.00 0.00 C ATOM 132 OG1 THR A 86 57.121 7.880 9.799 1.00 0.00 O ATOM 133 CG2 THR A 86 56.733 8.828 7.625 1.00 0.00 C ATOM 0 H THR A 86 58.399 7.024 6.302 1.00 0.00 H new ATOM 0 HA THR A 86 57.633 5.603 8.480 1.00 0.00 H new ATOM 0 HB THR A 86 58.558 7.960 8.325 1.00 0.00 H new ATOM 0 HG1 THR A 86 57.928 7.835 10.353 1.00 0.00 H new ATOM 0 HG21 THR A 86 56.948 9.816 8.031 1.00 0.00 H new ATOM 0 HG22 THR A 86 57.043 8.789 6.581 1.00 0.00 H new ATOM 0 HG23 THR A 86 55.663 8.633 7.693 1.00 0.00 H new ATOM 141 N THR A 87 54.950 6.264 6.715 1.00 0.00 N ATOM 142 CA THR A 87 53.534 6.032 6.642 1.00 0.00 C ATOM 143 C THR A 87 53.189 4.619 6.137 1.00 0.00 C ATOM 144 O THR A 87 52.089 4.198 6.268 1.00 0.00 O ATOM 145 CB THR A 87 52.837 7.077 5.755 1.00 0.00 C ATOM 146 OG1 THR A 87 53.508 7.142 4.509 1.00 0.00 O ATOM 147 CG2 THR A 87 52.857 8.443 6.393 1.00 0.00 C ATOM 0 H THR A 87 55.369 6.596 5.847 1.00 0.00 H new ATOM 0 HA THR A 87 53.165 6.124 7.664 1.00 0.00 H new ATOM 0 HB THR A 87 51.798 6.776 5.622 1.00 0.00 H new ATOM 0 HG1 THR A 87 53.070 7.805 3.936 1.00 0.00 H new ATOM 0 HG21 THR A 87 52.356 9.157 5.739 1.00 0.00 H new ATOM 0 HG22 THR A 87 52.340 8.404 7.352 1.00 0.00 H new ATOM 0 HG23 THR A 87 53.889 8.756 6.550 1.00 0.00 H new ATOM 155 N LEU A 88 54.133 3.907 5.576 1.00 0.00 N ATOM 156 CA LEU A 88 53.916 2.532 4.998 1.00 0.00 C ATOM 157 C LEU A 88 53.174 1.539 5.871 1.00 0.00 C ATOM 158 O LEU A 88 52.494 0.640 5.354 1.00 0.00 O ATOM 159 CB LEU A 88 55.221 1.934 4.597 1.00 0.00 C ATOM 160 CG LEU A 88 55.579 2.004 3.139 1.00 0.00 C ATOM 161 CD1 LEU A 88 54.765 1.012 2.371 1.00 0.00 C ATOM 162 CD2 LEU A 88 55.292 3.368 2.621 1.00 0.00 C ATOM 0 H LEU A 88 55.095 4.235 5.489 1.00 0.00 H new ATOM 0 HA LEU A 88 53.261 2.710 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 88 56.010 2.428 5.165 1.00 0.00 H new ATOM 0 HB3 LEU A 88 55.221 0.886 4.897 1.00 0.00 H new ATOM 0 HG LEU A 88 56.639 1.779 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 88 55.028 1.066 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 88 54.968 0.008 2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.706 1.238 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 88 55.552 3.418 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.232 3.589 2.745 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.882 4.099 3.174 1.00 0.00 H new ATOM 174 N GLU A 89 53.264 1.687 7.159 1.00 0.00 N ATOM 175 CA GLU A 89 52.595 0.780 8.067 1.00 0.00 C ATOM 176 C GLU A 89 51.073 1.056 8.058 1.00 0.00 C ATOM 177 O GLU A 89 50.269 0.261 8.536 1.00 0.00 O ATOM 178 CB GLU A 89 53.215 0.912 9.444 1.00 0.00 C ATOM 179 CG GLU A 89 54.736 0.717 9.422 1.00 0.00 C ATOM 180 CD GLU A 89 55.365 0.911 10.759 1.00 0.00 C ATOM 181 OE1 GLU A 89 55.325 2.038 11.306 1.00 0.00 O ATOM 182 OE2 GLU A 89 55.875 -0.063 11.327 1.00 0.00 O ATOM 0 H GLU A 89 53.795 2.429 7.615 1.00 0.00 H new ATOM 0 HA GLU A 89 52.726 -0.254 7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 89 52.984 1.896 9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 89 52.767 0.177 10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 89 54.963 -0.286 9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 89 55.177 1.418 8.713 1.00 0.00 H new ATOM 189 N GLN A 90 50.732 2.188 7.483 1.00 0.00 N ATOM 190 CA GLN A 90 49.378 2.639 7.219 1.00 0.00 C ATOM 191 C GLN A 90 48.921 2.152 5.853 1.00 0.00 C ATOM 192 O GLN A 90 47.739 1.936 5.618 1.00 0.00 O ATOM 193 CB GLN A 90 49.375 4.200 7.301 1.00 0.00 C ATOM 194 CG GLN A 90 48.466 5.007 6.327 1.00 0.00 C ATOM 195 CD GLN A 90 48.999 5.274 4.888 1.00 0.00 C ATOM 196 OE1 GLN A 90 48.216 5.412 3.967 1.00 0.00 O ATOM 197 NE2 GLN A 90 50.300 5.296 4.671 1.00 0.00 N ATOM 0 H GLN A 90 51.432 2.860 7.168 1.00 0.00 H new ATOM 0 HA GLN A 90 48.682 2.233 7.953 1.00 0.00 H new ATOM 0 HB2 GLN A 90 49.094 4.475 8.317 1.00 0.00 H new ATOM 0 HB3 GLN A 90 50.400 4.539 7.151 1.00 0.00 H new ATOM 0 HG2 GLN A 90 47.517 4.478 6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 90 48.253 5.971 6.789 1.00 0.00 H new ATOM 0 HE21 GLN A 90 50.949 5.179 5.449 1.00 0.00 H new ATOM 0 HE22 GLN A 90 50.657 5.430 3.725 1.00 0.00 H new ATOM 206 N GLN A 91 49.873 1.926 4.986 1.00 0.00 N ATOM 207 CA GLN A 91 49.573 1.657 3.604 1.00 0.00 C ATOM 208 C GLN A 91 49.115 0.226 3.345 1.00 0.00 C ATOM 209 O GLN A 91 47.958 -0.014 3.030 1.00 0.00 O ATOM 210 CB GLN A 91 50.780 1.957 2.701 1.00 0.00 C ATOM 211 CG GLN A 91 50.417 1.931 1.233 1.00 0.00 C ATOM 212 CD GLN A 91 49.420 3.019 0.855 1.00 0.00 C ATOM 213 OE1 GLN A 91 48.584 2.838 -0.030 1.00 0.00 O ATOM 214 NE2 GLN A 91 49.527 4.157 1.480 1.00 0.00 N ATOM 0 H GLN A 91 50.867 1.923 5.214 1.00 0.00 H new ATOM 0 HA GLN A 91 48.744 2.322 3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 91 51.187 2.936 2.955 1.00 0.00 H new ATOM 0 HB3 GLN A 91 51.565 1.225 2.892 1.00 0.00 H new ATOM 0 HG2 GLN A 91 51.322 2.050 0.637 1.00 0.00 H new ATOM 0 HG3 GLN A 91 49.997 0.956 0.984 1.00 0.00 H new ATOM 0 HE21 GLN A 91 50.231 4.274 2.209 1.00 0.00 H new ATOM 0 HE22 GLN A 91 48.907 4.931 1.240 1.00 0.00 H new ATOM 223 N TYR A 92 50.015 -0.716 3.499 1.00 0.00 N ATOM 224 CA TYR A 92 49.752 -2.065 3.030 1.00 0.00 C ATOM 225 C TYR A 92 49.040 -2.976 3.978 1.00 0.00 C ATOM 226 O TYR A 92 48.504 -3.994 3.545 1.00 0.00 O ATOM 227 CB TYR A 92 51.014 -2.725 2.530 1.00 0.00 C ATOM 228 CG TYR A 92 51.469 -2.136 1.247 1.00 0.00 C ATOM 229 CD1 TYR A 92 50.772 -2.382 0.082 1.00 0.00 C ATOM 230 CD2 TYR A 92 52.533 -1.283 1.204 1.00 0.00 C ATOM 231 CE1 TYR A 92 51.138 -1.792 -1.093 1.00 0.00 C ATOM 232 CE2 TYR A 92 52.900 -0.670 0.036 1.00 0.00 C ATOM 233 CZ TYR A 92 52.194 -0.934 -1.116 1.00 0.00 C ATOM 234 OH TYR A 92 52.514 -0.299 -2.284 1.00 0.00 O ATOM 0 H TYR A 92 50.926 -0.582 3.939 1.00 0.00 H new ATOM 0 HA TYR A 92 49.046 -1.912 2.214 1.00 0.00 H new ATOM 0 HB2 TYR A 92 51.800 -2.621 3.278 1.00 0.00 H new ATOM 0 HB3 TYR A 92 50.839 -3.793 2.399 1.00 0.00 H new ATOM 0 HD1 TYR A 92 49.924 -3.051 0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 92 53.095 -1.088 2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 92 50.592 -2.005 -2.000 1.00 0.00 H new ATOM 0 HE2 TYR A 92 53.735 0.014 0.019 1.00 0.00 H new ATOM 0 HH TYR A 92 53.182 -0.826 -2.771 1.00 0.00 H new ATOM 244 N ASN A 93 49.063 -2.635 5.281 1.00 0.00 N ATOM 245 CA ASN A 93 48.515 -3.527 6.387 1.00 0.00 C ATOM 246 C ASN A 93 49.449 -4.721 6.508 1.00 0.00 C ATOM 247 O ASN A 93 49.177 -5.738 7.128 1.00 0.00 O ATOM 248 CB ASN A 93 47.092 -4.009 6.076 1.00 0.00 C ATOM 249 CG ASN A 93 46.062 -2.896 6.056 1.00 0.00 C ATOM 250 OD1 ASN A 93 46.137 -1.926 6.828 1.00 0.00 O ATOM 251 ND2 ASN A 93 45.117 -2.995 5.158 1.00 0.00 N ATOM 0 H ASN A 93 49.450 -1.754 5.620 1.00 0.00 H new ATOM 0 HA ASN A 93 48.464 -2.964 7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 93 47.091 -4.510 5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 93 46.798 -4.750 6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 93 44.412 -2.262 5.076 1.00 0.00 H new ATOM 0 HD22 ASN A 93 45.084 -3.805 4.539 1.00 0.00 H new ATOM 258 N LYS A 94 50.553 -4.490 5.924 1.00 0.00 N ATOM 259 CA LYS A 94 51.660 -5.322 5.709 1.00 0.00 C ATOM 260 C LYS A 94 52.779 -4.313 5.754 1.00 0.00 C ATOM 261 O LYS A 94 53.092 -3.667 4.762 1.00 0.00 O ATOM 262 CB LYS A 94 51.459 -5.873 4.305 1.00 0.00 C ATOM 263 CG LYS A 94 52.608 -6.465 3.532 1.00 0.00 C ATOM 264 CD LYS A 94 52.950 -7.849 3.953 1.00 0.00 C ATOM 265 CE LYS A 94 53.674 -8.568 2.846 1.00 0.00 C ATOM 266 NZ LYS A 94 54.190 -9.881 3.266 1.00 0.00 N ATOM 0 H LYS A 94 50.724 -3.567 5.525 1.00 0.00 H new ATOM 0 HA LYS A 94 51.826 -6.155 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 94 50.689 -6.642 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 94 51.050 -5.064 3.700 1.00 0.00 H new ATOM 0 HG2 LYS A 94 52.360 -6.467 2.471 1.00 0.00 H new ATOM 0 HG3 LYS A 94 53.485 -5.829 3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 94 53.574 -7.821 4.846 1.00 0.00 H new ATOM 0 HD3 LYS A 94 52.042 -8.392 4.215 1.00 0.00 H new ATOM 0 HE2 LYS A 94 52.998 -8.701 2.001 1.00 0.00 H new ATOM 0 HE3 LYS A 94 54.502 -7.951 2.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 54.979 -10.158 2.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 54.524 -9.824 4.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 53.432 -10.590 3.199 1.00 0.00 H new ATOM 280 N PRO A 95 53.246 -4.010 6.941 1.00 0.00 N ATOM 281 CA PRO A 95 54.217 -2.965 7.131 1.00 0.00 C ATOM 282 C PRO A 95 55.575 -3.397 6.684 1.00 0.00 C ATOM 283 O PRO A 95 55.745 -4.495 6.244 1.00 0.00 O ATOM 284 CB PRO A 95 54.199 -2.725 8.630 1.00 0.00 C ATOM 285 CG PRO A 95 53.780 -4.027 9.216 1.00 0.00 C ATOM 286 CD PRO A 95 52.881 -4.677 8.201 1.00 0.00 C ATOM 0 HA PRO A 95 53.985 -2.071 6.551 1.00 0.00 H new ATOM 0 HB2 PRO A 95 55.181 -2.424 8.995 1.00 0.00 H new ATOM 0 HB3 PRO A 95 53.503 -1.929 8.895 1.00 0.00 H new ATOM 0 HG2 PRO A 95 54.646 -4.655 9.427 1.00 0.00 H new ATOM 0 HG3 PRO A 95 53.256 -3.878 10.160 1.00 0.00 H new ATOM 0 HD2 PRO A 95 53.047 -5.753 8.148 1.00 0.00 H new ATOM 0 HD3 PRO A 95 51.829 -4.529 8.443 1.00 0.00 H new ATOM 294 N LEU A 96 56.533 -2.542 6.840 1.00 0.00 N ATOM 295 CA LEU A 96 57.910 -2.821 6.486 1.00 0.00 C ATOM 296 C LEU A 96 58.402 -4.051 7.209 1.00 0.00 C ATOM 297 O LEU A 96 59.101 -4.830 6.649 1.00 0.00 O ATOM 298 CB LEU A 96 58.748 -1.611 6.811 1.00 0.00 C ATOM 299 CG LEU A 96 58.457 -0.409 5.942 1.00 0.00 C ATOM 300 CD1 LEU A 96 57.473 0.473 6.572 1.00 0.00 C ATOM 301 CD2 LEU A 96 59.695 0.323 5.579 1.00 0.00 C ATOM 0 H LEU A 96 56.390 -1.608 7.224 1.00 0.00 H new ATOM 0 HA LEU A 96 57.988 -3.026 5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 96 58.586 -1.340 7.854 1.00 0.00 H new ATOM 0 HB3 LEU A 96 59.801 -1.873 6.709 1.00 0.00 H new ATOM 0 HG LEU A 96 58.023 -0.777 5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 96 57.284 1.329 5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 96 56.544 -0.074 6.732 1.00 0.00 H new ATOM 0 HD13 LEU A 96 57.858 0.822 7.530 1.00 0.00 H new ATOM 0 HD21 LEU A 96 59.441 1.179 4.954 1.00 0.00 H new ATOM 0 HD22 LEU A 96 60.192 0.669 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 96 60.363 -0.341 5.030 1.00 0.00 H new ATOM 313 N SER A 97 57.931 -4.265 8.416 1.00 0.00 N ATOM 314 CA SER A 97 58.284 -5.436 9.184 1.00 0.00 C ATOM 315 C SER A 97 57.782 -6.738 8.495 1.00 0.00 C ATOM 316 O SER A 97 58.243 -7.831 8.813 1.00 0.00 O ATOM 317 CB SER A 97 57.708 -5.314 10.612 1.00 0.00 C ATOM 318 OG SER A 97 58.147 -6.368 11.455 1.00 0.00 O ATOM 0 H SER A 97 57.291 -3.630 8.894 1.00 0.00 H new ATOM 0 HA SER A 97 59.371 -5.498 9.242 1.00 0.00 H new ATOM 0 HB2 SER A 97 58.006 -4.358 11.042 1.00 0.00 H new ATOM 0 HB3 SER A 97 56.619 -5.317 10.565 1.00 0.00 H new ATOM 0 HG SER A 97 57.762 -6.254 12.349 1.00 0.00 H new ATOM 324 N ASP A 98 56.853 -6.611 7.555 1.00 0.00 N ATOM 325 CA ASP A 98 56.284 -7.774 6.901 1.00 0.00 C ATOM 326 C ASP A 98 56.484 -7.724 5.381 1.00 0.00 C ATOM 327 O ASP A 98 56.541 -8.756 4.717 1.00 0.00 O ATOM 328 CB ASP A 98 54.782 -7.838 7.181 1.00 0.00 C ATOM 329 CG ASP A 98 54.220 -9.246 7.011 1.00 0.00 C ATOM 330 OD1 ASP A 98 54.165 -9.764 5.901 1.00 0.00 O ATOM 331 OD2 ASP A 98 53.823 -9.859 8.010 1.00 0.00 O ATOM 0 H ASP A 98 56.482 -5.717 7.233 1.00 0.00 H new ATOM 0 HA ASP A 98 56.793 -8.653 7.297 1.00 0.00 H new ATOM 0 HB2 ASP A 98 54.589 -7.493 8.197 1.00 0.00 H new ATOM 0 HB3 ASP A 98 54.260 -7.157 6.508 1.00 0.00 H new ATOM 336 N LEU A 99 56.617 -6.534 4.836 1.00 0.00 N ATOM 337 CA LEU A 99 56.590 -6.350 3.417 1.00 0.00 C ATOM 338 C LEU A 99 57.970 -6.645 2.850 1.00 0.00 C ATOM 339 O LEU A 99 58.969 -6.208 3.443 1.00 0.00 O ATOM 340 CB LEU A 99 56.194 -4.885 3.147 1.00 0.00 C ATOM 341 CG LEU A 99 56.024 -4.422 1.694 1.00 0.00 C ATOM 342 CD1 LEU A 99 54.765 -4.970 1.092 1.00 0.00 C ATOM 343 CD2 LEU A 99 56.041 -2.920 1.617 1.00 0.00 C ATOM 0 H LEU A 99 56.746 -5.675 5.370 1.00 0.00 H new ATOM 0 HA LEU A 99 55.874 -7.021 2.943 1.00 0.00 H new ATOM 0 HB2 LEU A 99 55.254 -4.696 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 99 56.948 -4.248 3.610 1.00 0.00 H new ATOM 0 HG LEU A 99 56.863 -4.809 1.116 1.00 0.00 H new ATOM 0 HD11 LEU A 99 54.673 -4.624 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 99 54.799 -6.059 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 99 53.906 -4.626 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 99 55.919 -2.607 0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 99 55.225 -2.516 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 99 56.991 -2.547 1.999 1.00 0.00 H new ATOM 355 N LEU A 100 58.058 -7.422 1.761 1.00 0.00 N ATOM 356 CA LEU A 100 59.358 -7.634 1.140 1.00 0.00 C ATOM 357 C LEU A 100 59.744 -6.311 0.551 1.00 0.00 C ATOM 358 O LEU A 100 59.064 -5.757 -0.302 1.00 0.00 O ATOM 359 CB LEU A 100 59.352 -8.699 0.053 1.00 0.00 C ATOM 360 CG LEU A 100 60.718 -9.429 -0.268 1.00 0.00 C ATOM 361 CD1 LEU A 100 60.584 -10.308 -1.489 1.00 0.00 C ATOM 362 CD2 LEU A 100 61.890 -8.474 -0.463 1.00 0.00 C ATOM 0 H LEU A 100 57.274 -7.894 1.311 1.00 0.00 H new ATOM 0 HA LEU A 100 60.062 -7.996 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 100 58.623 -9.459 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 100 58.994 -8.237 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 100 60.938 -10.035 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 100 61.536 -10.799 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 100 59.817 -11.062 -1.312 1.00 0.00 H new ATOM 0 HD13 LEU A 100 60.302 -9.698 -2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 100 62.793 -9.045 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 100 61.677 -7.802 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 100 62.039 -7.891 0.446 1.00 0.00 H new ATOM 374 N ILE A 101 60.777 -5.809 1.023 1.00 0.00 N ATOM 375 CA ILE A 101 61.178 -4.520 0.721 1.00 0.00 C ATOM 376 C ILE A 101 62.631 -4.536 0.279 1.00 0.00 C ATOM 377 O ILE A 101 63.424 -5.234 0.864 1.00 0.00 O ATOM 378 CB ILE A 101 60.928 -3.733 1.988 1.00 0.00 C ATOM 379 CG1 ILE A 101 59.683 -2.906 1.810 1.00 0.00 C ATOM 380 CG2 ILE A 101 62.125 -2.895 2.407 1.00 0.00 C ATOM 381 CD1 ILE A 101 59.120 -2.322 3.021 1.00 0.00 C ATOM 0 H ILE A 101 61.402 -6.301 1.662 1.00 0.00 H new ATOM 0 HA ILE A 101 60.635 -4.063 -0.107 1.00 0.00 H new ATOM 0 HB ILE A 101 60.776 -4.433 2.809 1.00 0.00 H new ATOM 0 HG12 ILE A 101 59.905 -2.099 1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 101 58.921 -3.530 1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 101 61.887 -2.353 3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 101 62.981 -3.546 2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 101 62.366 -2.185 1.616 1.00 0.00 H new ATOM 0 HD11 ILE A 101 58.228 -1.750 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 101 58.856 -3.116 3.719 1.00 0.00 H new ATOM 0 HD13 ILE A 101 59.855 -1.663 3.483 1.00 0.00 H new ATOM 393 N ARG A 102 62.977 -3.797 -0.764 1.00 0.00 N ATOM 394 CA ARG A 102 64.339 -3.861 -1.313 1.00 0.00 C ATOM 395 C ARG A 102 64.833 -2.533 -1.739 1.00 0.00 C ATOM 396 O ARG A 102 64.072 -1.639 -1.941 1.00 0.00 O ATOM 397 CB ARG A 102 64.395 -4.801 -2.519 1.00 0.00 C ATOM 398 CG ARG A 102 64.077 -6.249 -2.243 1.00 0.00 C ATOM 399 CD ARG A 102 63.882 -7.043 -3.511 1.00 0.00 C ATOM 400 NE ARG A 102 63.904 -8.483 -3.262 1.00 0.00 N ATOM 401 CZ ARG A 102 64.259 -9.406 -4.168 1.00 0.00 C ATOM 402 NH1 ARG A 102 64.456 -9.067 -5.436 1.00 0.00 N ATOM 403 NH2 ARG A 102 64.375 -10.666 -3.810 1.00 0.00 N ATOM 0 H ARG A 102 62.351 -3.153 -1.247 1.00 0.00 H new ATOM 0 HA ARG A 102 64.975 -4.234 -0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 102 63.699 -4.434 -3.273 1.00 0.00 H new ATOM 0 HB3 ARG A 102 65.394 -4.745 -2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 102 64.885 -6.692 -1.660 1.00 0.00 H new ATOM 0 HG3 ARG A 102 63.174 -6.311 -1.635 1.00 0.00 H new ATOM 0 HD2 ARG A 102 62.932 -6.768 -3.969 1.00 0.00 H new ATOM 0 HD3 ARG A 102 64.665 -6.786 -4.224 1.00 0.00 H new ATOM 0 HE ARG A 102 63.630 -8.809 -2.335 1.00 0.00 H new ATOM 0 HH11 ARG A 102 64.338 -8.097 -5.729 1.00 0.00 H new ATOM 0 HH12 ARG A 102 64.726 -9.776 -6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 102 64.195 -10.940 -2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 102 64.645 -11.369 -4.498 1.00 0.00 H new ATOM 417 N CYS A 103 66.150 -2.419 -1.815 1.00 0.00 N ATOM 418 CA CYS A 103 66.791 -1.288 -2.343 1.00 0.00 C ATOM 419 C CYS A 103 66.291 -1.037 -3.798 1.00 0.00 C ATOM 420 O CYS A 103 65.970 -1.992 -4.506 1.00 0.00 O ATOM 421 CB CYS A 103 68.258 -1.546 -2.404 1.00 0.00 C ATOM 422 SG CYS A 103 69.159 0.024 -2.458 1.00 0.00 S ATOM 0 H CYS A 103 66.793 -3.144 -1.496 1.00 0.00 H new ATOM 0 HA CYS A 103 66.573 -0.426 -1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 103 68.571 -2.125 -1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 103 68.495 -2.142 -3.286 1.00 0.00 H new ATOM 0 HG CYS A 103 70.157 -0.020 -1.626 1.00 0.00 H new ATOM 427 N ILE A 104 66.280 0.197 -4.259 1.00 0.00 N ATOM 428 CA ILE A 104 65.768 0.480 -5.587 1.00 0.00 C ATOM 429 C ILE A 104 66.829 0.258 -6.629 1.00 0.00 C ATOM 430 O ILE A 104 66.582 -0.187 -7.746 1.00 0.00 O ATOM 431 CB ILE A 104 65.156 1.909 -5.676 1.00 0.00 C ATOM 432 CG1 ILE A 104 64.275 2.008 -6.881 1.00 0.00 C ATOM 433 CG2 ILE A 104 66.214 2.978 -5.761 1.00 0.00 C ATOM 434 CD1 ILE A 104 63.305 3.104 -6.773 1.00 0.00 C ATOM 0 H ILE A 104 66.614 1.011 -3.743 1.00 0.00 H new ATOM 0 HA ILE A 104 64.957 -0.221 -5.788 1.00 0.00 H new ATOM 0 HB ILE A 104 64.582 2.070 -4.764 1.00 0.00 H new ATOM 0 HG12 ILE A 104 64.891 2.157 -7.768 1.00 0.00 H new ATOM 0 HG13 ILE A 104 63.743 1.067 -7.017 1.00 0.00 H new ATOM 0 HG21 ILE A 104 65.738 3.957 -5.821 1.00 0.00 H new ATOM 0 HG22 ILE A 104 66.846 2.936 -4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 104 66.824 2.816 -6.649 1.00 0.00 H new ATOM 0 HD11 ILE A 104 62.689 3.135 -7.672 1.00 0.00 H new ATOM 0 HD12 ILE A 104 62.669 2.943 -5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 104 63.835 4.050 -6.664 1.00 0.00 H new ATOM 446 N ASN A 105 68.016 0.522 -6.222 1.00 0.00 N ATOM 447 CA ASN A 105 69.180 0.405 -7.027 1.00 0.00 C ATOM 448 C ASN A 105 69.821 -0.909 -6.748 1.00 0.00 C ATOM 449 O ASN A 105 70.501 -1.443 -7.598 1.00 0.00 O ATOM 450 CB ASN A 105 70.199 1.504 -6.685 1.00 0.00 C ATOM 451 CG ASN A 105 69.713 2.435 -5.694 1.00 0.00 C ATOM 452 OD1 ASN A 105 69.286 3.557 -5.964 1.00 0.00 O ATOM 453 ND2 ASN A 105 69.699 1.938 -4.548 1.00 0.00 N ATOM 0 H ASN A 105 68.214 0.841 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 105 68.887 0.497 -8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 105 71.116 1.041 -6.322 1.00 0.00 H new ATOM 0 HB3 ASN A 105 70.455 2.049 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 105 69.317 2.470 -3.766 1.00 0.00 H new ATOM 0 HD22 ASN A 105 70.070 1.000 -4.394 1.00 0.00 H new ATOM 460 N CYS A 106 69.627 -1.463 -5.541 1.00 0.00 N ATOM 461 CA CYS A 106 70.283 -2.713 -5.292 1.00 0.00 C ATOM 462 C CYS A 106 69.409 -3.916 -5.580 1.00 0.00 C ATOM 463 O CYS A 106 69.909 -4.958 -5.998 1.00 0.00 O ATOM 464 CB CYS A 106 70.885 -2.906 -3.894 1.00 0.00 C ATOM 465 SG CYS A 106 72.245 -1.841 -3.440 1.00 0.00 S ATOM 0 H CYS A 106 69.059 -1.083 -4.783 1.00 0.00 H new ATOM 0 HA CYS A 106 71.111 -2.651 -5.998 1.00 0.00 H new ATOM 0 HB2 CYS A 106 70.090 -2.770 -3.161 1.00 0.00 H new ATOM 0 HB3 CYS A 106 71.222 -3.939 -3.810 1.00 0.00 H new ATOM 0 HG CYS A 106 71.843 -0.605 -3.430 1.00 0.00 H new ATOM 470 N GLN A 107 68.106 -3.771 -5.292 1.00 0.00 N ATOM 471 CA GLN A 107 67.137 -4.850 -5.321 1.00 0.00 C ATOM 472 C GLN A 107 67.394 -5.829 -4.201 1.00 0.00 C ATOM 473 O GLN A 107 66.895 -6.950 -4.175 1.00 0.00 O ATOM 474 CB GLN A 107 67.056 -5.521 -6.637 1.00 0.00 C ATOM 475 CG GLN A 107 66.519 -4.612 -7.677 1.00 0.00 C ATOM 476 CD GLN A 107 67.583 -4.166 -8.656 1.00 0.00 C ATOM 477 OE1 GLN A 107 67.844 -4.817 -9.658 1.00 0.00 O ATOM 478 NE2 GLN A 107 68.168 -3.034 -8.384 1.00 0.00 N ATOM 0 H GLN A 107 67.699 -2.874 -5.027 1.00 0.00 H new ATOM 0 HA GLN A 107 66.156 -4.402 -5.161 1.00 0.00 H new ATOM 0 HB2 GLN A 107 68.046 -5.868 -6.931 1.00 0.00 H new ATOM 0 HB3 GLN A 107 66.420 -6.403 -6.559 1.00 0.00 H new ATOM 0 HG2 GLN A 107 65.719 -5.116 -8.219 1.00 0.00 H new ATOM 0 HG3 GLN A 107 66.079 -3.737 -7.199 1.00 0.00 H new ATOM 0 HE21 GLN A 107 67.920 -2.523 -7.537 1.00 0.00 H new ATOM 0 HE22 GLN A 107 68.873 -2.659 -9.018 1.00 0.00 H new ATOM 487 N LYS A 108 68.160 -5.358 -3.273 1.00 0.00 N ATOM 488 CA LYS A 108 68.522 -6.035 -2.082 1.00 0.00 C ATOM 489 C LYS A 108 67.488 -5.755 -1.071 1.00 0.00 C ATOM 490 O LYS A 108 67.214 -4.607 -0.798 1.00 0.00 O ATOM 491 CB LYS A 108 69.783 -5.430 -1.594 1.00 0.00 C ATOM 492 CG LYS A 108 70.219 -5.948 -0.276 1.00 0.00 C ATOM 493 CD LYS A 108 71.242 -5.054 0.308 1.00 0.00 C ATOM 494 CE LYS A 108 70.608 -3.847 0.936 1.00 0.00 C ATOM 495 NZ LYS A 108 71.663 -2.981 1.509 1.00 0.00 N ATOM 0 H LYS A 108 68.574 -4.428 -3.336 1.00 0.00 H new ATOM 0 HA LYS A 108 68.628 -7.106 -2.256 1.00 0.00 H new ATOM 0 HB2 LYS A 108 70.570 -5.613 -2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 108 69.655 -4.350 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 108 69.364 -6.022 0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 108 70.625 -6.954 -0.388 1.00 0.00 H new ATOM 0 HD2 LYS A 108 71.819 -5.597 1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 108 71.941 -4.740 -0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 108 70.033 -3.295 0.192 1.00 0.00 H new ATOM 0 HE3 LYS A 108 69.910 -4.153 1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 71.294 -2.494 2.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 72.482 -3.563 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 71.955 -2.276 0.802 1.00 0.00 H new ATOM 509 N PRO A 109 66.915 -6.762 -0.508 1.00 0.00 N ATOM 510 CA PRO A 109 65.911 -6.588 0.479 1.00 0.00 C ATOM 511 C PRO A 109 66.454 -5.968 1.775 1.00 0.00 C ATOM 512 O PRO A 109 67.336 -6.523 2.436 1.00 0.00 O ATOM 513 CB PRO A 109 65.296 -7.958 0.670 1.00 0.00 C ATOM 514 CG PRO A 109 66.086 -8.894 -0.195 1.00 0.00 C ATOM 515 CD PRO A 109 67.219 -8.149 -0.779 1.00 0.00 C ATOM 0 HA PRO A 109 65.156 -5.869 0.163 1.00 0.00 H new ATOM 0 HB2 PRO A 109 65.341 -8.263 1.716 1.00 0.00 H new ATOM 0 HB3 PRO A 109 64.244 -7.956 0.383 1.00 0.00 H new ATOM 0 HG2 PRO A 109 66.450 -9.737 0.393 1.00 0.00 H new ATOM 0 HG3 PRO A 109 65.455 -9.304 -0.984 1.00 0.00 H new ATOM 0 HD2 PRO A 109 68.165 -8.444 -0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 109 67.307 -8.335 -1.849 1.00 0.00 H new ATOM 523 N LEU A 110 65.913 -4.814 2.089 1.00 0.00 N ATOM 524 CA LEU A 110 66.319 -3.984 3.201 1.00 0.00 C ATOM 525 C LEU A 110 65.664 -4.464 4.437 1.00 0.00 C ATOM 526 O LEU A 110 64.480 -4.816 4.447 1.00 0.00 O ATOM 527 CB LEU A 110 65.942 -2.526 2.915 1.00 0.00 C ATOM 528 CG LEU A 110 66.282 -1.986 1.546 1.00 0.00 C ATOM 529 CD1 LEU A 110 65.977 -0.509 1.491 1.00 0.00 C ATOM 530 CD2 LEU A 110 67.724 -2.228 1.245 1.00 0.00 C ATOM 0 H LEU A 110 65.145 -4.410 1.554 1.00 0.00 H new ATOM 0 HA LEU A 110 67.399 -4.042 3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 110 64.868 -2.418 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 110 66.432 -1.897 3.658 1.00 0.00 H new ATOM 0 HG LEU A 110 65.679 -2.500 0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 110 66.224 -0.123 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 110 64.917 -0.349 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 110 66.570 0.013 2.242 1.00 0.00 H new ATOM 0 HD21 LEU A 110 67.960 -1.835 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 110 68.341 -1.727 1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 110 67.926 -3.299 1.268 1.00 0.00 H new ATOM 542 N SER A 111 66.436 -4.524 5.448 1.00 0.00 N ATOM 543 CA SER A 111 66.017 -4.972 6.731 1.00 0.00 C ATOM 544 C SER A 111 65.578 -3.734 7.540 1.00 0.00 C ATOM 545 O SER A 111 65.687 -2.616 7.002 1.00 0.00 O ATOM 546 CB SER A 111 67.207 -5.721 7.342 1.00 0.00 C ATOM 547 OG SER A 111 67.539 -6.846 6.533 1.00 0.00 O ATOM 0 H SER A 111 67.419 -4.253 5.413 1.00 0.00 H new ATOM 0 HA SER A 111 65.166 -5.653 6.709 1.00 0.00 H new ATOM 0 HB2 SER A 111 68.065 -5.054 7.422 1.00 0.00 H new ATOM 0 HB3 SER A 111 66.962 -6.048 8.352 1.00 0.00 H new ATOM 0 HG SER A 111 68.301 -7.319 6.928 1.00 0.00 H new ATOM 553 N PRO A 112 65.029 -3.875 8.808 1.00 0.00 N ATOM 554 CA PRO A 112 64.612 -2.727 9.643 1.00 0.00 C ATOM 555 C PRO A 112 65.655 -1.615 9.658 1.00 0.00 C ATOM 556 O PRO A 112 65.313 -0.451 9.677 1.00 0.00 O ATOM 557 CB PRO A 112 64.447 -3.321 11.055 1.00 0.00 C ATOM 558 CG PRO A 112 64.858 -4.755 10.946 1.00 0.00 C ATOM 559 CD PRO A 112 64.718 -5.134 9.502 1.00 0.00 C ATOM 0 HA PRO A 112 63.701 -2.269 9.259 1.00 0.00 H new ATOM 0 HB2 PRO A 112 65.068 -2.790 11.777 1.00 0.00 H new ATOM 0 HB3 PRO A 112 63.416 -3.235 11.397 1.00 0.00 H new ATOM 0 HG2 PRO A 112 65.886 -4.890 11.284 1.00 0.00 H new ATOM 0 HG3 PRO A 112 64.230 -5.387 11.575 1.00 0.00 H new ATOM 0 HD2 PRO A 112 65.407 -5.931 9.224 1.00 0.00 H new ATOM 0 HD3 PRO A 112 63.713 -5.487 9.271 1.00 0.00 H new ATOM 567 N GLU A 113 66.916 -2.009 9.582 1.00 0.00 N ATOM 568 CA GLU A 113 68.049 -1.099 9.509 1.00 0.00 C ATOM 569 C GLU A 113 67.908 -0.064 8.381 1.00 0.00 C ATOM 570 O GLU A 113 68.178 1.119 8.577 1.00 0.00 O ATOM 571 CB GLU A 113 69.349 -1.904 9.353 1.00 0.00 C ATOM 572 CG GLU A 113 69.314 -2.984 8.265 1.00 0.00 C ATOM 573 CD GLU A 113 70.565 -3.832 8.264 1.00 0.00 C ATOM 574 OE1 GLU A 113 71.575 -3.436 7.641 1.00 0.00 O ATOM 575 OE2 GLU A 113 70.560 -4.914 8.901 1.00 0.00 O ATOM 0 H GLU A 113 67.187 -2.992 9.569 1.00 0.00 H new ATOM 0 HA GLU A 113 68.078 -0.534 10.441 1.00 0.00 H new ATOM 0 HB2 GLU A 113 70.163 -1.213 9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 113 69.583 -2.377 10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 113 68.444 -3.623 8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 113 69.196 -2.512 7.290 1.00 0.00 H new ATOM 582 N GLU A 114 67.470 -0.497 7.217 1.00 0.00 N ATOM 583 CA GLU A 114 67.347 0.376 6.099 1.00 0.00 C ATOM 584 C GLU A 114 65.912 0.876 5.941 1.00 0.00 C ATOM 585 O GLU A 114 65.674 1.947 5.416 1.00 0.00 O ATOM 586 CB GLU A 114 67.826 -0.394 4.933 1.00 0.00 C ATOM 587 CG GLU A 114 69.294 -0.715 5.026 1.00 0.00 C ATOM 588 CD GLU A 114 69.616 -2.059 4.471 1.00 0.00 C ATOM 589 OE1 GLU A 114 68.902 -3.026 4.789 1.00 0.00 O ATOM 590 OE2 GLU A 114 70.619 -2.184 3.761 1.00 0.00 O ATOM 0 H GLU A 114 67.194 -1.462 7.033 1.00 0.00 H new ATOM 0 HA GLU A 114 67.940 1.282 6.220 1.00 0.00 H new ATOM 0 HB2 GLU A 114 67.258 -1.321 4.854 1.00 0.00 H new ATOM 0 HB3 GLU A 114 67.637 0.174 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 114 69.864 0.043 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 114 69.608 -0.671 6.069 1.00 0.00 H new ATOM 597 N LYS A 115 64.983 0.098 6.434 1.00 0.00 N ATOM 598 CA LYS A 115 63.559 0.460 6.490 1.00 0.00 C ATOM 599 C LYS A 115 63.353 1.645 7.393 1.00 0.00 C ATOM 600 O LYS A 115 62.591 2.543 7.092 1.00 0.00 O ATOM 601 CB LYS A 115 62.799 -0.721 7.033 1.00 0.00 C ATOM 602 CG LYS A 115 62.590 -1.825 6.018 1.00 0.00 C ATOM 603 CD LYS A 115 62.045 -3.125 6.616 1.00 0.00 C ATOM 604 CE LYS A 115 61.700 -4.092 5.509 1.00 0.00 C ATOM 605 NZ LYS A 115 61.550 -5.490 5.972 1.00 0.00 N ATOM 0 H LYS A 115 65.182 -0.825 6.819 1.00 0.00 H new ATOM 0 HA LYS A 115 63.206 0.722 5.493 1.00 0.00 H new ATOM 0 HB2 LYS A 115 63.336 -1.125 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 115 61.828 -0.383 7.395 1.00 0.00 H new ATOM 0 HG2 LYS A 115 61.901 -1.473 5.250 1.00 0.00 H new ATOM 0 HG3 LYS A 115 63.538 -2.034 5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 115 62.786 -3.569 7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 115 61.161 -2.916 7.218 1.00 0.00 H new ATOM 0 HE2 LYS A 115 60.772 -3.773 5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 115 62.478 -4.052 4.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 61.802 -6.140 5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 62.179 -5.656 6.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 60.564 -5.657 6.258 1.00 0.00 H new ATOM 619 N GLN A 116 64.077 1.666 8.487 1.00 0.00 N ATOM 620 CA GLN A 116 64.010 2.745 9.460 1.00 0.00 C ATOM 621 C GLN A 116 64.585 3.998 8.924 1.00 0.00 C ATOM 622 O GLN A 116 64.404 5.047 9.473 1.00 0.00 O ATOM 623 CB GLN A 116 64.679 2.340 10.756 1.00 0.00 C ATOM 624 CG GLN A 116 63.719 2.073 11.928 1.00 0.00 C ATOM 625 CD GLN A 116 62.680 0.944 11.716 1.00 0.00 C ATOM 626 OE1 GLN A 116 62.259 0.300 12.669 1.00 0.00 O ATOM 627 NE2 GLN A 116 62.280 0.694 10.496 1.00 0.00 N ATOM 0 H GLN A 116 64.738 0.930 8.735 1.00 0.00 H new ATOM 0 HA GLN A 116 62.958 2.940 9.670 1.00 0.00 H new ATOM 0 HB2 GLN A 116 65.269 1.441 10.577 1.00 0.00 H new ATOM 0 HB3 GLN A 116 65.376 3.126 11.049 1.00 0.00 H new ATOM 0 HG2 GLN A 116 64.313 1.831 12.809 1.00 0.00 H new ATOM 0 HG3 GLN A 116 63.182 2.996 12.149 1.00 0.00 H new ATOM 0 HE21 GLN A 116 62.644 1.243 9.717 1.00 0.00 H new ATOM 0 HE22 GLN A 116 61.604 -0.050 10.323 1.00 0.00 H new ATOM 636 N ARG A 117 65.226 3.896 7.828 1.00 0.00 N ATOM 637 CA ARG A 117 65.745 5.083 7.194 1.00 0.00 C ATOM 638 C ARG A 117 64.580 5.805 6.562 1.00 0.00 C ATOM 639 O ARG A 117 64.508 7.022 6.542 1.00 0.00 O ATOM 640 CB ARG A 117 66.720 4.758 6.098 1.00 0.00 C ATOM 641 CG ARG A 117 67.411 5.963 5.537 1.00 0.00 C ATOM 642 CD ARG A 117 68.387 5.537 4.512 1.00 0.00 C ATOM 643 NE ARG A 117 69.338 4.610 5.104 1.00 0.00 N ATOM 644 CZ ARG A 117 69.280 3.292 4.974 1.00 0.00 C ATOM 645 NH1 ARG A 117 68.578 2.736 3.976 1.00 0.00 N ATOM 646 NH2 ARG A 117 69.954 2.535 5.821 1.00 0.00 N ATOM 0 H ARG A 117 65.414 3.021 7.339 1.00 0.00 H new ATOM 0 HA ARG A 117 66.259 5.680 7.948 1.00 0.00 H new ATOM 0 HB2 ARG A 117 67.469 4.065 6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 117 66.193 4.244 5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 117 66.681 6.643 5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 117 67.918 6.509 6.333 1.00 0.00 H new ATOM 0 HD2 ARG A 117 67.871 5.062 3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 117 68.910 6.405 4.110 1.00 0.00 H new ATOM 0 HE ARG A 117 70.101 5.000 5.657 1.00 0.00 H new ATOM 0 HH11 ARG A 117 68.083 3.328 3.309 1.00 0.00 H new ATOM 0 HH12 ARG A 117 68.539 1.721 3.884 1.00 0.00 H new ATOM 0 HH21 ARG A 117 70.508 2.966 6.561 1.00 0.00 H new ATOM 0 HH22 ARG A 117 69.920 1.519 5.735 1.00 0.00 H new ATOM 660 N HIS A 118 63.668 5.024 6.066 1.00 0.00 N ATOM 661 CA HIS A 118 62.505 5.516 5.407 1.00 0.00 C ATOM 662 C HIS A 118 61.446 5.881 6.433 1.00 0.00 C ATOM 663 O HIS A 118 60.570 6.686 6.178 1.00 0.00 O ATOM 664 CB HIS A 118 61.996 4.464 4.415 1.00 0.00 C ATOM 665 CG HIS A 118 63.043 4.114 3.352 1.00 0.00 C ATOM 666 ND1 HIS A 118 63.696 5.055 2.601 1.00 0.00 N ATOM 667 CD2 HIS A 118 63.602 2.937 3.004 1.00 0.00 C ATOM 668 CE1 HIS A 118 64.625 4.440 1.867 1.00 0.00 C ATOM 669 NE2 HIS A 118 64.610 3.153 2.069 1.00 0.00 N ATOM 0 H HIS A 118 63.717 4.006 6.111 1.00 0.00 H new ATOM 0 HA HIS A 118 62.748 6.419 4.847 1.00 0.00 H new ATOM 0 HB2 HIS A 118 61.716 3.561 4.958 1.00 0.00 H new ATOM 0 HB3 HIS A 118 61.095 4.834 3.926 1.00 0.00 H new ATOM 0 HD1 HIS A 118 63.504 6.057 2.603 1.00 0.00 H new ATOM 0 HD2 HIS A 118 63.311 1.972 3.392 1.00 0.00 H new ATOM 0 HE1 HIS A 118 65.302 4.944 1.193 1.00 0.00 H new ATOM 677 N LEU A 119 61.565 5.308 7.615 1.00 0.00 N ATOM 678 CA LEU A 119 60.604 5.540 8.689 1.00 0.00 C ATOM 679 C LEU A 119 61.072 6.622 9.644 1.00 0.00 C ATOM 680 O LEU A 119 60.391 7.603 9.846 1.00 0.00 O ATOM 681 CB LEU A 119 60.334 4.256 9.457 1.00 0.00 C ATOM 682 CG LEU A 119 60.025 3.030 8.619 1.00 0.00 C ATOM 683 CD1 LEU A 119 59.544 1.887 9.465 1.00 0.00 C ATOM 684 CD2 LEU A 119 59.027 3.347 7.576 1.00 0.00 C ATOM 0 H LEU A 119 62.323 4.672 7.862 1.00 0.00 H new ATOM 0 HA LEU A 119 59.680 5.880 8.222 1.00 0.00 H new ATOM 0 HB2 LEU A 119 61.204 4.038 10.077 1.00 0.00 H new ATOM 0 HB3 LEU A 119 59.496 4.430 10.133 1.00 0.00 H new ATOM 0 HG LEU A 119 60.954 2.724 8.138 1.00 0.00 H new ATOM 0 HD11 LEU A 119 59.333 1.027 8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 119 60.314 1.622 10.190 1.00 0.00 H new ATOM 0 HD13 LEU A 119 58.636 2.181 9.991 1.00 0.00 H new ATOM 0 HD21 LEU A 119 58.820 2.454 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 119 58.106 3.693 8.046 1.00 0.00 H new ATOM 0 HD23 LEU A 119 59.417 4.129 6.925 1.00 0.00 H new ATOM 696 N ASP A 120 62.225 6.422 10.241 1.00 0.00 N ATOM 697 CA ASP A 120 62.797 7.410 11.185 1.00 0.00 C ATOM 698 C ASP A 120 63.203 8.677 10.474 1.00 0.00 C ATOM 699 O ASP A 120 62.657 9.756 10.727 1.00 0.00 O ATOM 700 CB ASP A 120 64.044 6.856 11.845 1.00 0.00 C ATOM 701 CG ASP A 120 64.671 7.833 12.817 1.00 0.00 C ATOM 702 OD1 ASP A 120 64.215 7.919 13.967 1.00 0.00 O ATOM 703 OD2 ASP A 120 65.656 8.507 12.452 1.00 0.00 O ATOM 0 H ASP A 120 62.800 5.591 10.103 1.00 0.00 H new ATOM 0 HA ASP A 120 62.023 7.621 11.923 1.00 0.00 H new ATOM 0 HB2 ASP A 120 63.793 5.935 12.372 1.00 0.00 H new ATOM 0 HB3 ASP A 120 64.772 6.596 11.077 1.00 0.00 H new ATOM 708 N LYS A 121 64.146 8.526 9.544 1.00 0.00 N ATOM 709 CA LYS A 121 64.700 9.659 8.816 1.00 0.00 C ATOM 710 C LYS A 121 63.742 10.067 7.724 1.00 0.00 C ATOM 711 O LYS A 121 63.858 11.144 7.130 1.00 0.00 O ATOM 712 CB LYS A 121 66.050 9.307 8.211 1.00 0.00 C ATOM 713 CG LYS A 121 67.008 8.626 9.164 1.00 0.00 C ATOM 714 CD LYS A 121 68.361 8.418 8.504 1.00 0.00 C ATOM 715 CE LYS A 121 69.266 7.512 9.320 1.00 0.00 C ATOM 716 NZ LYS A 121 69.658 8.093 10.624 1.00 0.00 N ATOM 0 H LYS A 121 64.541 7.624 9.279 1.00 0.00 H new ATOM 0 HA LYS A 121 64.843 10.486 9.512 1.00 0.00 H new ATOM 0 HB2 LYS A 121 65.890 8.657 7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 121 66.516 10.219 7.838 1.00 0.00 H new ATOM 0 HG2 LYS A 121 67.125 9.230 10.064 1.00 0.00 H new ATOM 0 HG3 LYS A 121 66.598 7.665 9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 121 68.217 7.987 7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 121 68.847 9.384 8.364 1.00 0.00 H new ATOM 0 HE2 LYS A 121 68.758 6.563 9.491 1.00 0.00 H new ATOM 0 HE3 LYS A 121 70.165 7.293 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 70.274 7.426 11.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 70.169 8.985 10.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 68.807 8.277 11.192 1.00 0.00 H new ATOM 730 N LYS A 122 62.821 9.158 7.463 1.00 0.00 N ATOM 731 CA LYS A 122 61.723 9.320 6.544 1.00 0.00 C ATOM 732 C LYS A 122 62.185 9.532 5.101 1.00 0.00 C ATOM 733 O LYS A 122 61.587 10.287 4.359 1.00 0.00 O ATOM 734 CB LYS A 122 60.788 10.419 7.027 1.00 0.00 C ATOM 735 CG LYS A 122 60.374 10.264 8.460 1.00 0.00 C ATOM 736 CD LYS A 122 59.460 11.370 8.919 1.00 0.00 C ATOM 737 CE LYS A 122 59.100 11.189 10.380 1.00 0.00 C ATOM 738 NZ LYS A 122 60.293 11.242 11.253 1.00 0.00 N ATOM 0 H LYS A 122 62.824 8.242 7.912 1.00 0.00 H new ATOM 0 HA LYS A 122 61.162 8.386 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 122 61.279 11.384 6.901 1.00 0.00 H new ATOM 0 HB3 LYS A 122 59.897 10.430 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 122 59.872 9.305 8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 122 61.262 10.245 9.092 1.00 0.00 H new ATOM 0 HD2 LYS A 122 59.946 12.335 8.775 1.00 0.00 H new ATOM 0 HD3 LYS A 122 58.554 11.376 8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 122 58.396 11.966 10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 122 58.595 10.232 10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 59.993 11.285 12.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 60.872 10.391 11.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 60.854 12.087 11.024 1.00 0.00 H new ATOM 752 N GLN A 123 63.238 8.822 4.719 1.00 0.00 N ATOM 753 CA GLN A 123 63.740 8.838 3.340 1.00 0.00 C ATOM 754 C GLN A 123 62.658 8.362 2.367 1.00 0.00 C ATOM 755 O GLN A 123 61.913 7.418 2.666 1.00 0.00 O ATOM 756 CB GLN A 123 64.987 7.946 3.211 1.00 0.00 C ATOM 757 CG GLN A 123 66.314 8.698 3.080 1.00 0.00 C ATOM 758 CD GLN A 123 66.572 9.690 4.195 1.00 0.00 C ATOM 759 OE1 GLN A 123 66.170 10.845 4.122 1.00 0.00 O ATOM 760 NE2 GLN A 123 67.293 9.269 5.194 1.00 0.00 N ATOM 0 H GLN A 123 63.770 8.220 5.348 1.00 0.00 H new ATOM 0 HA GLN A 123 64.011 9.864 3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 123 65.041 7.295 4.084 1.00 0.00 H new ATOM 0 HB3 GLN A 123 64.865 7.302 2.340 1.00 0.00 H new ATOM 0 HG2 GLN A 123 67.129 7.975 3.055 1.00 0.00 H new ATOM 0 HG3 GLN A 123 66.328 9.227 2.127 1.00 0.00 H new ATOM 0 HE21 GLN A 123 67.610 8.300 5.221 1.00 0.00 H new ATOM 0 HE22 GLN A 123 67.541 9.908 5.949 1.00 0.00 H new ATOM 769 N ARG A 124 62.594 8.994 1.222 1.00 0.00 N ATOM 770 CA ARG A 124 61.596 8.680 0.205 1.00 0.00 C ATOM 771 C ARG A 124 61.957 7.408 -0.528 1.00 0.00 C ATOM 772 O ARG A 124 63.154 7.087 -0.692 1.00 0.00 O ATOM 773 CB ARG A 124 61.507 9.798 -0.830 1.00 0.00 C ATOM 774 CG ARG A 124 61.058 11.134 -0.302 1.00 0.00 C ATOM 775 CD ARG A 124 61.119 12.173 -1.401 1.00 0.00 C ATOM 776 NE ARG A 124 60.651 13.482 -0.955 1.00 0.00 N ATOM 777 CZ ARG A 124 61.120 14.655 -1.390 1.00 0.00 C ATOM 778 NH1 ARG A 124 62.161 14.700 -2.224 1.00 0.00 N ATOM 779 NH2 ARG A 124 60.564 15.779 -0.968 1.00 0.00 N ATOM 0 H ARG A 124 63.231 9.746 0.959 1.00 0.00 H new ATOM 0 HA ARG A 124 60.642 8.563 0.719 1.00 0.00 H new ATOM 0 HB2 ARG A 124 62.486 9.920 -1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 124 60.819 9.488 -1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 124 60.041 11.059 0.082 1.00 0.00 H new ATOM 0 HG3 ARG A 124 61.692 11.437 0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 124 62.145 12.259 -1.759 1.00 0.00 H new ATOM 0 HD3 ARG A 124 60.514 11.842 -2.245 1.00 0.00 H new ATOM 0 HE ARG A 124 59.908 13.503 -0.257 1.00 0.00 H new ATOM 0 HH11 ARG A 124 62.604 13.835 -2.534 1.00 0.00 H new ATOM 0 HH12 ARG A 124 62.513 15.599 -2.552 1.00 0.00 H new ATOM 0 HH21 ARG A 124 59.782 15.747 -0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 124 60.918 16.678 -1.296 1.00 0.00 H new ATOM 793 N PHE A 125 60.944 6.679 -0.949 1.00 0.00 N ATOM 794 CA PHE A 125 61.139 5.508 -1.775 1.00 0.00 C ATOM 795 C PHE A 125 59.967 5.353 -2.730 1.00 0.00 C ATOM 796 O PHE A 125 59.104 6.251 -2.827 1.00 0.00 O ATOM 797 CB PHE A 125 61.313 4.228 -0.912 1.00 0.00 C ATOM 798 CG PHE A 125 60.267 4.004 0.142 1.00 0.00 C ATOM 799 CD1 PHE A 125 59.028 4.581 0.043 1.00 0.00 C ATOM 800 CD2 PHE A 125 60.533 3.239 1.249 1.00 0.00 C ATOM 801 CE1 PHE A 125 58.105 4.396 0.966 1.00 0.00 C ATOM 802 CE2 PHE A 125 59.568 3.063 2.197 1.00 0.00 C ATOM 803 CZ PHE A 125 58.371 3.636 2.031 1.00 0.00 C ATOM 0 H PHE A 125 59.969 6.881 -0.729 1.00 0.00 H new ATOM 0 HA PHE A 125 62.055 5.642 -2.350 1.00 0.00 H new ATOM 0 HB2 PHE A 125 61.324 3.364 -1.576 1.00 0.00 H new ATOM 0 HB3 PHE A 125 62.288 4.269 -0.427 1.00 0.00 H new ATOM 0 HD1 PHE A 125 58.802 5.202 -0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 125 61.502 2.778 1.370 1.00 0.00 H new ATOM 0 HE1 PHE A 125 57.135 4.859 0.861 1.00 0.00 H new ATOM 0 HE2 PHE A 125 59.769 2.466 3.074 1.00 0.00 H new ATOM 0 HZ PHE A 125 57.603 3.481 2.774 1.00 0.00 H new ATOM 813 N HIS A 126 59.908 4.241 -3.377 1.00 0.00 N ATOM 814 CA HIS A 126 58.838 3.932 -4.248 1.00 0.00 C ATOM 815 C HIS A 126 58.033 2.796 -3.590 1.00 0.00 C ATOM 816 O HIS A 126 58.594 2.000 -2.876 1.00 0.00 O ATOM 817 CB HIS A 126 59.415 3.489 -5.589 1.00 0.00 C ATOM 818 CG HIS A 126 58.399 3.388 -6.651 1.00 0.00 C ATOM 819 ND1 HIS A 126 58.391 4.154 -7.772 1.00 0.00 N ATOM 820 CD2 HIS A 126 57.319 2.603 -6.721 1.00 0.00 C ATOM 821 CE1 HIS A 126 57.323 3.829 -8.476 1.00 0.00 C ATOM 822 NE2 HIS A 126 56.635 2.877 -7.882 1.00 0.00 N ATOM 0 H HIS A 126 60.617 3.511 -3.312 1.00 0.00 H new ATOM 0 HA HIS A 126 58.189 4.790 -4.422 1.00 0.00 H new ATOM 0 HB2 HIS A 126 60.185 4.196 -5.898 1.00 0.00 H new ATOM 0 HB3 HIS A 126 59.901 2.521 -5.467 1.00 0.00 H new ATOM 0 HD2 HIS A 126 57.030 1.870 -5.983 1.00 0.00 H new ATOM 0 HE1 HIS A 126 57.049 4.284 -9.416 1.00 0.00 H new ATOM 0 HE2 HIS A 126 55.777 2.436 -8.213 1.00 0.00 H new ATOM 830 N ASN A 127 56.734 2.772 -3.796 1.00 0.00 N ATOM 831 CA ASN A 127 55.820 1.744 -3.269 1.00 0.00 C ATOM 832 C ASN A 127 55.244 0.917 -4.372 1.00 0.00 C ATOM 833 O ASN A 127 54.725 1.453 -5.352 1.00 0.00 O ATOM 834 CB ASN A 127 54.689 2.372 -2.497 1.00 0.00 C ATOM 835 CG ASN A 127 55.027 2.653 -1.077 1.00 0.00 C ATOM 836 OD1 ASN A 127 54.161 2.715 -0.238 1.00 0.00 O ATOM 837 ND2 ASN A 127 56.282 2.776 -0.790 1.00 0.00 N ATOM 0 H ASN A 127 56.256 3.483 -4.350 1.00 0.00 H new ATOM 0 HA ASN A 127 56.406 1.107 -2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 127 54.399 3.303 -2.985 1.00 0.00 H new ATOM 0 HB3 ASN A 127 53.823 1.710 -2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 127 56.571 2.932 0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 127 56.982 2.717 -1.529 1.00 0.00 H new ATOM 844 N ILE A 128 55.347 -0.381 -4.230 1.00 0.00 N ATOM 845 CA ILE A 128 54.887 -1.291 -5.224 1.00 0.00 C ATOM 846 C ILE A 128 53.891 -2.249 -4.582 1.00 0.00 C ATOM 847 O ILE A 128 53.844 -2.377 -3.360 1.00 0.00 O ATOM 848 CB ILE A 128 56.095 -2.092 -5.871 1.00 0.00 C ATOM 849 CG1 ILE A 128 57.137 -1.110 -6.421 1.00 0.00 C ATOM 850 CG2 ILE A 128 55.615 -3.017 -6.991 1.00 0.00 C ATOM 851 CD1 ILE A 128 58.109 -0.572 -5.451 1.00 0.00 C ATOM 0 H ILE A 128 55.757 -0.830 -3.411 1.00 0.00 H new ATOM 0 HA ILE A 128 54.402 -0.734 -6.026 1.00 0.00 H new ATOM 0 HB ILE A 128 56.546 -2.708 -5.093 1.00 0.00 H new ATOM 0 HG12 ILE A 128 57.690 -1.609 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 128 56.609 -0.272 -6.876 1.00 0.00 H new ATOM 0 HG21 ILE A 128 56.467 -3.550 -7.413 1.00 0.00 H new ATOM 0 HG22 ILE A 128 54.900 -3.735 -6.589 1.00 0.00 H new ATOM 0 HG23 ILE A 128 55.135 -2.426 -7.771 1.00 0.00 H new ATOM 0 HD11 ILE A 128 58.792 0.109 -5.959 1.00 0.00 H new ATOM 0 HD12 ILE A 128 57.579 -0.034 -4.665 1.00 0.00 H new ATOM 0 HD13 ILE A 128 58.676 -1.392 -5.011 1.00 0.00 H new ATOM 863 N ARG A 129 53.096 -2.870 -5.379 1.00 0.00 N ATOM 864 CA ARG A 129 52.131 -3.817 -4.945 1.00 0.00 C ATOM 865 C ARG A 129 52.798 -5.070 -4.352 1.00 0.00 C ATOM 866 O ARG A 129 53.315 -5.919 -5.084 1.00 0.00 O ATOM 867 CB ARG A 129 51.274 -4.192 -6.136 1.00 0.00 C ATOM 868 CG ARG A 129 50.137 -5.118 -5.828 1.00 0.00 C ATOM 869 CD ARG A 129 49.208 -4.501 -4.821 1.00 0.00 C ATOM 870 NE ARG A 129 48.038 -5.346 -4.598 1.00 0.00 N ATOM 871 CZ ARG A 129 47.241 -5.339 -3.528 1.00 0.00 C ATOM 872 NH1 ARG A 129 47.304 -4.361 -2.626 1.00 0.00 N ATOM 873 NH2 ARG A 129 46.343 -6.295 -3.397 1.00 0.00 N ATOM 0 H ARG A 129 53.100 -2.727 -6.389 1.00 0.00 H new ATOM 0 HA ARG A 129 51.521 -3.376 -4.157 1.00 0.00 H new ATOM 0 HB2 ARG A 129 50.872 -3.280 -6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 129 51.909 -4.658 -6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 129 49.590 -5.347 -6.743 1.00 0.00 H new ATOM 0 HG3 ARG A 129 50.524 -6.062 -5.443 1.00 0.00 H new ATOM 0 HD2 ARG A 129 49.736 -4.350 -3.879 1.00 0.00 H new ATOM 0 HD3 ARG A 129 48.890 -3.518 -5.169 1.00 0.00 H new ATOM 0 HE ARG A 129 47.806 -6.010 -5.337 1.00 0.00 H new ATOM 0 HH11 ARG A 129 47.971 -3.598 -2.746 1.00 0.00 H new ATOM 0 HH12 ARG A 129 46.686 -4.375 -1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 129 46.266 -7.023 -4.107 1.00 0.00 H new ATOM 0 HH22 ARG A 129 45.725 -6.306 -2.586 1.00 0.00 H new ATOM 887 N GLY A 130 52.841 -5.140 -3.046 1.00 0.00 N ATOM 888 CA GLY A 130 53.329 -6.335 -2.375 1.00 0.00 C ATOM 889 C GLY A 130 54.786 -6.259 -1.986 1.00 0.00 C ATOM 890 O GLY A 130 55.277 -7.103 -1.234 1.00 0.00 O ATOM 0 H GLY A 130 52.547 -4.390 -2.421 1.00 0.00 H new ATOM 0 HA2 GLY A 130 52.731 -6.508 -1.480 1.00 0.00 H new ATOM 0 HA3 GLY A 130 53.181 -7.195 -3.029 1.00 0.00 H new ATOM 894 N ARG A 131 55.493 -5.312 -2.539 1.00 0.00 N ATOM 895 CA ARG A 131 56.890 -5.103 -2.208 1.00 0.00 C ATOM 896 C ARG A 131 57.210 -3.676 -2.443 1.00 0.00 C ATOM 897 O ARG A 131 56.402 -2.969 -2.988 1.00 0.00 O ATOM 898 CB ARG A 131 57.780 -5.915 -3.146 1.00 0.00 C ATOM 899 CG ARG A 131 57.684 -5.452 -4.596 1.00 0.00 C ATOM 900 CD ARG A 131 59.036 -5.080 -5.156 1.00 0.00 C ATOM 901 NE ARG A 131 58.944 -4.635 -6.555 1.00 0.00 N ATOM 902 CZ ARG A 131 59.853 -3.879 -7.194 1.00 0.00 C ATOM 903 NH1 ARG A 131 60.998 -3.563 -6.603 1.00 0.00 N ATOM 904 NH2 ARG A 131 59.627 -3.480 -8.442 1.00 0.00 N ATOM 0 H ARG A 131 55.125 -4.660 -3.232 1.00 0.00 H new ATOM 0 HA ARG A 131 57.060 -5.400 -1.173 1.00 0.00 H new ATOM 0 HB2 ARG A 131 58.815 -5.841 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 131 57.500 -6.967 -3.085 1.00 0.00 H new ATOM 0 HG2 ARG A 131 57.245 -6.244 -5.202 1.00 0.00 H new ATOM 0 HG3 ARG A 131 57.015 -4.594 -4.660 1.00 0.00 H new ATOM 0 HD2 ARG A 131 59.475 -4.287 -4.550 1.00 0.00 H new ATOM 0 HD3 ARG A 131 59.705 -5.938 -5.091 1.00 0.00 H new ATOM 0 HE ARG A 131 58.122 -4.924 -7.084 1.00 0.00 H new ATOM 0 HH11 ARG A 131 61.193 -3.894 -5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 131 61.684 -2.989 -7.094 1.00 0.00 H new ATOM 0 HH21 ARG A 131 58.764 -3.748 -8.915 1.00 0.00 H new ATOM 0 HH22 ARG A 131 60.317 -2.906 -8.927 1.00 0.00 H new ATOM 918 N TRP A 132 58.360 -3.226 -2.054 1.00 0.00 N ATOM 919 CA TRP A 132 58.795 -2.019 -2.634 1.00 0.00 C ATOM 920 C TRP A 132 60.255 -1.969 -2.994 1.00 0.00 C ATOM 921 O TRP A 132 60.968 -2.973 -2.901 1.00 0.00 O ATOM 922 CB TRP A 132 58.295 -0.766 -1.966 1.00 0.00 C ATOM 923 CG TRP A 132 58.655 -0.423 -0.605 1.00 0.00 C ATOM 924 CD1 TRP A 132 57.830 -0.095 0.339 1.00 0.00 C ATOM 925 CD2 TRP A 132 59.976 -0.292 -0.067 1.00 0.00 C ATOM 926 NE1 TRP A 132 58.524 0.236 1.462 1.00 0.00 N ATOM 927 CE2 TRP A 132 59.874 0.106 1.208 1.00 0.00 C ATOM 928 CE3 TRP A 132 61.196 -0.501 -0.564 1.00 0.00 C ATOM 929 CZ2 TRP A 132 61.025 0.309 2.019 1.00 0.00 C ATOM 930 CZ3 TRP A 132 62.298 -0.327 0.176 1.00 0.00 C ATOM 931 CH2 TRP A 132 62.227 0.078 1.445 1.00 0.00 C ATOM 0 H TRP A 132 58.981 -3.658 -1.370 1.00 0.00 H new ATOM 0 HA TRP A 132 58.281 -2.032 -3.595 1.00 0.00 H new ATOM 0 HB2 TRP A 132 58.606 0.070 -2.593 1.00 0.00 H new ATOM 0 HB3 TRP A 132 57.206 -0.804 -2.003 1.00 0.00 H new ATOM 0 HD1 TRP A 132 56.754 -0.086 0.248 1.00 0.00 H new ATOM 0 HE1 TRP A 132 58.113 0.532 2.347 1.00 0.00 H new ATOM 0 HE3 TRP A 132 61.298 -0.819 -1.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 132 60.942 0.633 3.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 132 63.265 -0.519 -0.264 1.00 0.00 H new ATOM 0 HH2 TRP A 132 63.133 0.222 2.016 1.00 0.00 H new ATOM 942 N THR A 133 60.698 -0.785 -3.401 1.00 0.00 N ATOM 943 CA THR A 133 62.016 -0.545 -3.763 1.00 0.00 C ATOM 944 C THR A 133 62.377 0.877 -3.134 1.00 0.00 C ATOM 945 O THR A 133 61.657 1.878 -3.300 1.00 0.00 O ATOM 946 CB THR A 133 62.056 -0.621 -5.308 1.00 0.00 C ATOM 947 OG1 THR A 133 63.321 -0.753 -5.838 1.00 0.00 O ATOM 948 CG2 THR A 133 61.304 0.507 -5.918 1.00 0.00 C ATOM 0 H THR A 133 60.098 0.037 -3.477 1.00 0.00 H new ATOM 0 HA THR A 133 62.757 -1.256 -3.398 1.00 0.00 H new ATOM 0 HB THR A 133 61.552 -1.550 -5.574 1.00 0.00 H new ATOM 0 HG1 THR A 133 63.709 -1.606 -5.550 1.00 0.00 H new ATOM 0 HG21 THR A 133 61.349 0.429 -7.004 1.00 0.00 H new ATOM 0 HG22 THR A 133 60.264 0.469 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 133 61.747 1.452 -5.604 1.00 0.00 H new ATOM 956 N GLY A 134 63.404 0.864 -2.322 1.00 0.00 N ATOM 957 CA GLY A 134 63.839 1.975 -1.511 1.00 0.00 C ATOM 958 C GLY A 134 65.239 2.352 -1.824 1.00 0.00 C ATOM 959 O GLY A 134 65.581 2.502 -2.933 1.00 0.00 O ATOM 0 H GLY A 134 63.989 0.037 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 134 63.183 2.830 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 134 63.757 1.713 -0.456 1.00 0.00 H new ATOM 963 N ARG A 135 66.047 2.491 -0.841 1.00 0.00 N ATOM 964 CA ARG A 135 67.466 2.740 -1.020 1.00 0.00 C ATOM 965 C ARG A 135 68.189 2.484 0.223 1.00 0.00 C ATOM 966 O ARG A 135 68.001 3.198 1.229 1.00 0.00 O ATOM 967 CB ARG A 135 67.795 4.101 -1.655 1.00 0.00 C ATOM 968 CG ARG A 135 66.858 5.191 -1.310 1.00 0.00 C ATOM 969 CD ARG A 135 66.718 6.110 -2.511 1.00 0.00 C ATOM 970 NE ARG A 135 65.763 7.202 -2.314 1.00 0.00 N ATOM 971 CZ ARG A 135 65.434 8.089 -3.263 1.00 0.00 C ATOM 972 NH1 ARG A 135 65.960 7.989 -4.491 1.00 0.00 N ATOM 973 NH2 ARG A 135 64.585 9.067 -2.986 1.00 0.00 N ATOM 0 H ARG A 135 65.757 2.438 0.135 1.00 0.00 H new ATOM 0 HA ARG A 135 67.822 2.027 -1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 135 68.799 4.395 -1.350 1.00 0.00 H new ATOM 0 HB3 ARG A 135 67.812 3.985 -2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 135 65.887 4.781 -1.033 1.00 0.00 H new ATOM 0 HG3 ARG A 135 67.227 5.748 -0.449 1.00 0.00 H new ATOM 0 HD2 ARG A 135 67.694 6.533 -2.749 1.00 0.00 H new ATOM 0 HD3 ARG A 135 66.408 5.520 -3.373 1.00 0.00 H new ATOM 0 HE ARG A 135 65.321 7.293 -1.399 1.00 0.00 H new ATOM 0 HH11 ARG A 135 66.613 7.236 -4.706 1.00 0.00 H new ATOM 0 HH12 ARG A 135 65.707 8.666 -5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 135 64.183 9.144 -2.052 1.00 0.00 H new ATOM 0 HH22 ARG A 135 64.333 9.743 -3.707 1.00 0.00 H new ATOM 987 N CYS A 136 68.949 1.394 0.215 1.00 0.00 N ATOM 988 CA CYS A 136 69.724 1.013 1.368 1.00 0.00 C ATOM 989 C CYS A 136 70.749 2.088 1.713 1.00 0.00 C ATOM 990 O CYS A 136 70.913 3.015 0.969 1.00 0.00 O ATOM 991 CB CYS A 136 70.456 -0.298 1.128 1.00 0.00 C ATOM 992 SG CYS A 136 71.943 -0.288 0.039 1.00 0.00 S ATOM 0 H CYS A 136 69.038 0.765 -0.583 1.00 0.00 H new ATOM 0 HA CYS A 136 69.027 0.892 2.197 1.00 0.00 H new ATOM 0 HB2 CYS A 136 70.758 -0.691 2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 136 69.741 -1.005 0.706 1.00 0.00 H new ATOM 0 HG CYS A 136 71.709 -1.003 -1.021 1.00 0.00 H new ATOM 997 N MET A 137 71.420 1.922 2.842 1.00 0.00 N ATOM 998 CA MET A 137 72.507 2.821 3.326 1.00 0.00 C ATOM 999 C MET A 137 73.348 3.324 2.198 1.00 0.00 C ATOM 1000 O MET A 137 73.398 4.519 1.959 1.00 0.00 O ATOM 1001 CB MET A 137 73.445 2.081 4.274 1.00 0.00 C ATOM 1002 CG MET A 137 72.788 1.351 5.401 1.00 0.00 C ATOM 1003 SD MET A 137 73.952 0.387 6.378 1.00 0.00 S ATOM 1004 CE MET A 137 74.529 -0.796 5.147 1.00 0.00 C ATOM 0 H MET A 137 71.235 1.146 3.477 1.00 0.00 H new ATOM 0 HA MET A 137 72.012 3.650 3.831 1.00 0.00 H new ATOM 0 HB2 MET A 137 74.028 1.366 3.693 1.00 0.00 H new ATOM 0 HB3 MET A 137 74.149 2.800 4.693 1.00 0.00 H new ATOM 0 HG2 MET A 137 72.284 2.069 6.048 1.00 0.00 H new ATOM 0 HG3 MET A 137 72.020 0.689 5.001 1.00 0.00 H new ATOM 0 HE1 MET A 137 74.882 -1.698 5.647 1.00 0.00 H new ATOM 0 HE2 MET A 137 73.709 -1.051 4.475 1.00 0.00 H new ATOM 0 HE3 MET A 137 75.345 -0.356 4.574 1.00 0.00 H new ATOM 1014 N SER A 138 73.909 2.412 1.471 1.00 0.00 N ATOM 1015 CA SER A 138 74.833 2.708 0.416 1.00 0.00 C ATOM 1016 C SER A 138 74.204 3.666 -0.629 1.00 0.00 C ATOM 1017 O SER A 138 74.841 4.619 -1.110 1.00 0.00 O ATOM 1018 CB SER A 138 75.219 1.388 -0.236 1.00 0.00 C ATOM 1019 OG SER A 138 75.471 0.396 0.770 1.00 0.00 O ATOM 0 H SER A 138 73.735 1.415 1.595 1.00 0.00 H new ATOM 0 HA SER A 138 75.712 3.211 0.820 1.00 0.00 H new ATOM 0 HB2 SER A 138 74.420 1.052 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 138 76.107 1.524 -0.854 1.00 0.00 H new ATOM 0 HG SER A 138 75.717 -0.450 0.341 1.00 0.00 H new ATOM 1025 N CYS A 139 72.933 3.465 -0.864 1.00 0.00 N ATOM 1026 CA CYS A 139 72.224 4.103 -1.865 1.00 0.00 C ATOM 1027 C CYS A 139 71.500 5.338 -1.406 1.00 0.00 C ATOM 1028 O CYS A 139 71.244 6.245 -2.181 1.00 0.00 O ATOM 1029 CB CYS A 139 71.345 3.084 -2.396 1.00 0.00 C ATOM 1030 SG CYS A 139 72.292 1.721 -3.041 1.00 0.00 S ATOM 0 H CYS A 139 72.367 2.815 -0.319 1.00 0.00 H new ATOM 0 HA CYS A 139 72.890 4.501 -2.630 1.00 0.00 H new ATOM 0 HB2 CYS A 139 70.673 2.730 -1.614 1.00 0.00 H new ATOM 0 HB3 CYS A 139 70.722 3.507 -3.184 1.00 0.00 H new ATOM 0 HG CYS A 139 72.384 0.791 -2.138 1.00 0.00 H new