USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 651 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: X 64 GLN : amide:sc= -7.04! C(o=-12!,f=-8.4!) USER MOD Set 1.2: X 68 ASN : amide:sc= -4.64! K(o=-12!,f=-9.4) USER MOD Set 2.1: X 16 LYS NZ :NH3+ -176:sc= -8.43! (180deg=-1.05) USER MOD Set 2.2: X 20 LYS NZ :NH3+ -158:sc= -6.31! (180deg=0) USER MOD Single : X 6 SER OG : rot -34:sc= 0.146 USER MOD Single : X 7 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 X(o=0,f=-0.05) USER MOD Single : X 17 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.43) USER MOD Single : X 21 THR OG1 : rot -2:sc= 1.14 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= -1.66 USER MOD Single : X 33 LYS NZ :NH3+ -164:sc= -0.0292 (180deg=-0.426) USER MOD Single : X 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 54 LYS NZ :NH3+ 177:sc= -10.1! (180deg=-10.2!) USER MOD Single : X 62 CYS SG : rot 83:sc= -0.132! USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 69 THR OG1 : rot 86:sc= 1.12 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.0132 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 130:sc= -4.32! USER MOD Single : X 84 ASN : amide:sc= -0.0335 X(o=-0.033,f=0) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N SER X 6 68.777 0.528 -10.325 1.00 1.00 N ATOM 79 CA SER X 6 69.210 1.915 -10.211 1.00 1.00 C ATOM 80 C SER X 6 70.679 2.046 -10.597 1.00 1.00 C ATOM 81 O SER X 6 71.412 1.057 -10.635 1.00 1.00 O ATOM 82 CB SER X 6 69.012 2.410 -8.779 1.00 1.00 C ATOM 83 OG SER X 6 69.646 1.512 -7.879 1.00 1.00 O ATOM 0 HA SER X 6 68.609 2.521 -10.889 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.430 3.410 -8.667 1.00 1.00 H new ATOM 0 HB3 SER X 6 67.949 2.481 -8.551 1.00 1.00 H new ATOM 0 HG SER X 6 69.585 0.599 -8.231 1.00 1.00 H new ATOM 89 N GLN X 7 71.101 3.271 -10.885 1.00 1.00 N ATOM 90 CA GLN X 7 72.485 3.520 -11.274 1.00 1.00 C ATOM 91 C GLN X 7 73.436 3.146 -10.143 1.00 1.00 C ATOM 92 O GLN X 7 74.589 2.787 -10.382 1.00 1.00 O ATOM 93 CB GLN X 7 72.677 4.995 -11.638 1.00 1.00 C ATOM 94 CG GLN X 7 71.897 5.316 -12.915 1.00 1.00 C ATOM 95 CD GLN X 7 72.172 6.753 -13.346 1.00 1.00 C ATOM 96 OE1 GLN X 7 73.095 7.388 -12.835 1.00 1.00 O ATOM 97 NE2 GLN X 7 71.428 7.304 -14.266 1.00 1.00 N ATOM 0 H GLN X 7 70.511 4.102 -10.857 1.00 1.00 H new ATOM 0 HA GLN X 7 72.710 2.903 -12.144 1.00 1.00 H new ATOM 0 HB2 GLN X 7 72.333 5.629 -10.821 1.00 1.00 H new ATOM 0 HB3 GLN X 7 73.736 5.209 -11.783 1.00 1.00 H new ATOM 0 HG2 GLN X 7 72.185 4.628 -13.710 1.00 1.00 H new ATOM 0 HG3 GLN X 7 70.830 5.177 -12.744 1.00 1.00 H new ATOM 0 HE21 GLN X 7 70.664 6.776 -14.688 1.00 1.00 H new ATOM 0 HE22 GLN X 7 71.611 8.263 -14.563 1.00 1.00 H new ATOM 106 N HIS X 8 72.945 3.233 -8.910 1.00 1.00 N ATOM 107 CA HIS X 8 73.761 2.899 -7.749 1.00 1.00 C ATOM 108 C HIS X 8 74.097 1.412 -7.750 1.00 1.00 C ATOM 109 O HIS X 8 75.215 1.017 -7.418 1.00 1.00 O ATOM 110 CB HIS X 8 73.020 3.263 -6.462 1.00 1.00 C ATOM 111 CG HIS X 8 72.975 4.760 -6.317 1.00 1.00 C ATOM 112 ND1 HIS X 8 74.031 5.482 -5.785 1.00 1.00 N ATOM 113 CD2 HIS X 8 72.009 5.684 -6.631 1.00 1.00 C ATOM 114 CE1 HIS X 8 73.679 6.781 -5.792 1.00 1.00 C ATOM 115 NE2 HIS X 8 72.455 6.959 -6.298 1.00 1.00 N ATOM 0 H HIS X 8 71.994 3.529 -8.691 1.00 1.00 H new ATOM 0 HA HIS X 8 74.688 3.471 -7.799 1.00 1.00 H new ATOM 0 HB2 HIS X 8 72.008 2.858 -6.485 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.522 2.818 -5.602 1.00 1.00 H new ATOM 0 HD2 HIS X 8 71.049 5.456 -7.070 1.00 1.00 H new ATOM 0 HE1 HIS X 8 74.309 7.582 -5.433 1.00 1.00 H new ATOM 0 HE2 HIS X 8 71.955 7.840 -6.415 1.00 1.00 H new ATOM 123 N GLU X 9 73.125 0.593 -8.133 1.00 1.00 N ATOM 124 CA GLU X 9 73.331 -0.848 -8.185 1.00 1.00 C ATOM 125 C GLU X 9 74.346 -1.203 -9.267 1.00 1.00 C ATOM 126 O GLU X 9 75.154 -2.112 -9.100 1.00 1.00 O ATOM 127 CB GLU X 9 72.006 -1.555 -8.462 1.00 1.00 C ATOM 128 CG GLU X 9 71.105 -1.450 -7.229 1.00 1.00 C ATOM 129 CD GLU X 9 69.746 -2.077 -7.523 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.582 -2.601 -8.611 1.00 1.00 O ATOM 131 OE2 GLU X 9 68.888 -2.018 -6.657 1.00 1.00 O ATOM 0 H GLU X 9 72.193 0.900 -8.410 1.00 1.00 H new ATOM 0 HA GLU X 9 73.718 -1.179 -7.221 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.514 -1.105 -9.324 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.184 -2.602 -8.707 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.572 -1.954 -6.383 1.00 1.00 H new ATOM 0 HG3 GLU X 9 70.979 -0.404 -6.948 1.00 1.00 H new ATOM 138 N ARG X 10 74.293 -0.490 -10.383 1.00 1.00 N ATOM 139 CA ARG X 10 75.213 -0.749 -11.479 1.00 1.00 C ATOM 140 C ARG X 10 76.645 -0.392 -11.086 1.00 1.00 C ATOM 141 O ARG X 10 77.583 -1.115 -11.409 1.00 1.00 O ATOM 142 CB ARG X 10 74.804 0.072 -12.699 1.00 1.00 C ATOM 143 CG ARG X 10 73.450 -0.421 -13.203 1.00 1.00 C ATOM 144 CD ARG X 10 73.055 0.365 -14.453 1.00 1.00 C ATOM 145 NE ARG X 10 71.752 -0.076 -14.937 1.00 1.00 N ATOM 146 CZ ARG X 10 71.354 0.187 -16.177 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.137 0.844 -16.988 1.00 1.00 N ATOM 148 NH2 ARG X 10 70.182 -0.215 -16.585 1.00 1.00 N ATOM 0 H ARG X 10 73.629 0.265 -10.552 1.00 1.00 H new ATOM 0 HA ARG X 10 75.172 -1.812 -11.716 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.746 1.129 -12.439 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.554 -0.022 -13.484 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.500 -1.486 -13.431 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.694 -0.296 -12.428 1.00 1.00 H new ATOM 0 HD2 ARG X 10 73.025 1.431 -14.226 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.806 0.226 -15.231 1.00 1.00 H new ATOM 0 HE ARG X 10 71.135 -0.596 -14.312 1.00 1.00 H new ATOM 0 HH11 ARG X 10 73.055 1.156 -16.670 1.00 1.00 H new ATOM 0 HH12 ARG X 10 71.831 1.046 -17.940 1.00 1.00 H new ATOM 0 HH21 ARG X 10 69.571 -0.731 -15.952 1.00 1.00 H new ATOM 0 HH22 ARG X 10 69.876 -0.013 -17.537 1.00 1.00 H new ATOM 162 N TYR X 11 76.808 0.734 -10.396 1.00 1.00 N ATOM 163 CA TYR X 11 78.135 1.184 -9.980 1.00 1.00 C ATOM 164 C TYR X 11 78.831 0.146 -9.107 1.00 1.00 C ATOM 165 O TYR X 11 79.971 -0.242 -9.372 1.00 1.00 O ATOM 166 CB TYR X 11 78.005 2.490 -9.192 1.00 1.00 C ATOM 167 CG TYR X 11 79.333 2.825 -8.558 1.00 1.00 C ATOM 168 CD1 TYR X 11 79.680 2.255 -7.327 1.00 1.00 C ATOM 169 CD2 TYR X 11 80.216 3.703 -9.196 1.00 1.00 C ATOM 170 CE1 TYR X 11 80.911 2.561 -6.735 1.00 1.00 C ATOM 171 CE2 TYR X 11 81.448 4.011 -8.604 1.00 1.00 C ATOM 172 CZ TYR X 11 81.795 3.441 -7.374 1.00 1.00 C ATOM 173 OH TYR X 11 83.007 3.745 -6.790 1.00 1.00 O ATOM 0 H TYR X 11 76.044 1.348 -10.114 1.00 1.00 H new ATOM 0 HA TYR X 11 78.735 1.336 -10.878 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.691 3.297 -9.853 1.00 1.00 H new ATOM 0 HB3 TYR X 11 77.238 2.390 -8.424 1.00 1.00 H new ATOM 0 HD1 TYR X 11 78.997 1.579 -6.834 1.00 1.00 H new ATOM 0 HD2 TYR X 11 79.948 4.143 -10.145 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.179 2.119 -5.787 1.00 1.00 H new ATOM 0 HE2 TYR X 11 82.130 4.688 -9.097 1.00 1.00 H new ATOM 0 HH TYR X 11 83.499 4.368 -7.364 1.00 1.00 H new ATOM 183 N VAL X 12 78.142 -0.304 -8.068 1.00 1.00 N ATOM 184 CA VAL X 12 78.707 -1.294 -7.169 1.00 1.00 C ATOM 185 C VAL X 12 78.939 -2.613 -7.899 1.00 1.00 C ATOM 186 O VAL X 12 79.930 -3.302 -7.652 1.00 1.00 O ATOM 187 CB VAL X 12 77.771 -1.503 -5.980 1.00 1.00 C ATOM 188 CG1 VAL X 12 76.401 -1.945 -6.483 1.00 1.00 C ATOM 189 CG2 VAL X 12 78.350 -2.577 -5.065 1.00 1.00 C ATOM 0 H VAL X 12 77.198 -0.001 -7.830 1.00 1.00 H new ATOM 0 HA VAL X 12 79.669 -0.932 -6.807 1.00 1.00 H new ATOM 0 HB VAL X 12 77.669 -0.570 -5.427 1.00 1.00 H new ATOM 0 HG11 VAL X 12 75.733 -2.094 -5.635 1.00 1.00 H new ATOM 0 HG12 VAL X 12 75.989 -1.178 -7.139 1.00 1.00 H new ATOM 0 HG13 VAL X 12 76.500 -2.879 -7.035 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.684 -2.729 -4.215 1.00 1.00 H new ATOM 0 HG22 VAL X 12 78.451 -3.511 -5.618 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.329 -2.260 -4.707 1.00 1.00 H new ATOM 199 N GLU X 13 78.027 -2.952 -8.804 1.00 1.00 N ATOM 200 CA GLU X 13 78.149 -4.184 -9.572 1.00 1.00 C ATOM 201 C GLU X 13 79.373 -4.135 -10.474 1.00 1.00 C ATOM 202 O GLU X 13 80.057 -5.144 -10.664 1.00 1.00 O ATOM 203 CB GLU X 13 76.891 -4.405 -10.412 1.00 1.00 C ATOM 204 CG GLU X 13 75.788 -5.001 -9.534 1.00 1.00 C ATOM 205 CD GLU X 13 74.499 -5.127 -10.338 1.00 1.00 C ATOM 206 OE1 GLU X 13 74.527 -4.808 -11.516 1.00 1.00 O ATOM 207 OE2 GLU X 13 73.504 -5.543 -9.767 1.00 1.00 O ATOM 0 H GLU X 13 77.201 -2.395 -9.022 1.00 1.00 H new ATOM 0 HA GLU X 13 78.265 -5.014 -8.875 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.558 -3.460 -10.842 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.110 -5.074 -11.244 1.00 1.00 H new ATOM 0 HG2 GLU X 13 76.094 -5.980 -9.164 1.00 1.00 H new ATOM 0 HG3 GLU X 13 75.623 -4.368 -8.662 1.00 1.00 H new ATOM 214 N GLN X 14 79.657 -2.961 -11.022 1.00 1.00 N ATOM 215 CA GLN X 14 80.815 -2.809 -11.889 1.00 1.00 C ATOM 216 C GLN X 14 82.087 -3.115 -11.116 1.00 1.00 C ATOM 217 O GLN X 14 83.006 -3.745 -11.642 1.00 1.00 O ATOM 218 CB GLN X 14 80.877 -1.385 -12.445 1.00 1.00 C ATOM 219 CG GLN X 14 79.881 -1.241 -13.597 1.00 1.00 C ATOM 220 CD GLN X 14 79.876 0.197 -14.108 1.00 1.00 C ATOM 221 OE1 GLN X 14 80.931 0.752 -14.413 1.00 1.00 O ATOM 222 NE2 GLN X 14 78.744 0.838 -14.214 1.00 1.00 N ATOM 0 H GLN X 14 79.109 -2.112 -10.884 1.00 1.00 H new ATOM 0 HA GLN X 14 80.724 -3.509 -12.719 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.646 -0.666 -11.659 1.00 1.00 H new ATOM 0 HB3 GLN X 14 81.886 -1.163 -12.793 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.147 -1.922 -14.406 1.00 1.00 H new ATOM 0 HG3 GLN X 14 78.882 -1.520 -13.262 1.00 1.00 H new ATOM 0 HE21 GLN X 14 77.871 0.376 -13.961 1.00 1.00 H new ATOM 0 HE22 GLN X 14 78.733 1.801 -14.550 1.00 1.00 H new ATOM 231 N LEU X 15 82.144 -2.672 -9.867 1.00 1.00 N ATOM 232 CA LEU X 15 83.326 -2.923 -9.055 1.00 1.00 C ATOM 233 C LEU X 15 83.533 -4.418 -8.865 1.00 1.00 C ATOM 234 O LEU X 15 84.628 -4.911 -9.029 1.00 1.00 O ATOM 235 CB LEU X 15 83.181 -2.261 -7.688 1.00 1.00 C ATOM 236 CG LEU X 15 83.247 -0.738 -7.850 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.877 -0.074 -6.529 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.662 -0.300 -8.253 1.00 1.00 C ATOM 0 H LEU X 15 81.403 -2.148 -9.402 1.00 1.00 H new ATOM 0 HA LEU X 15 84.188 -2.502 -9.573 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.234 -2.548 -7.231 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.973 -2.601 -7.021 1.00 1.00 H new ATOM 0 HG LEU X 15 82.548 -0.438 -8.631 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.923 1.009 -6.641 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.866 -0.367 -6.245 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.577 -0.389 -5.755 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.690 0.784 -8.363 1.00 1.00 H new ATOM 0 HD22 LEU X 15 85.370 -0.605 -7.483 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.932 -0.768 -9.200 1.00 1.00 H new ATOM 250 N LYS X 16 82.472 -5.134 -8.536 1.00 1.00 N ATOM 251 CA LYS X 16 82.565 -6.573 -8.330 1.00 1.00 C ATOM 252 C LYS X 16 83.246 -7.253 -9.510 1.00 1.00 C ATOM 253 O LYS X 16 84.121 -8.099 -9.322 1.00 1.00 O ATOM 254 CB LYS X 16 81.161 -7.154 -8.152 1.00 1.00 C ATOM 255 CG LYS X 16 81.242 -8.669 -7.945 1.00 1.00 C ATOM 256 CD LYS X 16 79.835 -9.214 -7.736 1.00 1.00 C ATOM 257 CE LYS X 16 79.903 -10.721 -7.504 1.00 1.00 C ATOM 258 NZ LYS X 16 80.159 -11.406 -8.801 1.00 1.00 N ATOM 0 H LYS X 16 81.538 -4.746 -8.406 1.00 1.00 H new ATOM 0 HA LYS X 16 83.162 -6.753 -7.436 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.672 -6.688 -7.297 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.553 -6.931 -9.028 1.00 1.00 H new ATOM 0 HG2 LYS X 16 81.705 -9.143 -8.810 1.00 1.00 H new ATOM 0 HG3 LYS X 16 81.867 -8.899 -7.082 1.00 1.00 H new ATOM 0 HD2 LYS X 16 79.367 -8.724 -6.882 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.216 -8.997 -8.607 1.00 1.00 H new ATOM 0 HE2 LYS X 16 80.695 -10.956 -6.793 1.00 1.00 H new ATOM 0 HE3 LYS X 16 78.969 -11.077 -7.070 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 80.139 -12.436 -8.659 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 79.425 -11.136 -9.487 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 81.092 -11.125 -9.164 1.00 1.00 H new ATOM 272 N GLN X 17 82.839 -6.903 -10.721 1.00 1.00 N ATOM 273 CA GLN X 17 83.428 -7.517 -11.901 1.00 1.00 C ATOM 274 C GLN X 17 84.917 -7.193 -12.002 1.00 1.00 C ATOM 275 O GLN X 17 85.757 -8.091 -12.142 1.00 1.00 O ATOM 276 CB GLN X 17 82.701 -7.010 -13.143 1.00 1.00 C ATOM 277 CG GLN X 17 81.243 -7.476 -13.102 1.00 1.00 C ATOM 278 CD GLN X 17 81.162 -8.977 -13.365 1.00 1.00 C ATOM 279 OE1 GLN X 17 81.756 -9.471 -14.324 1.00 1.00 O ATOM 280 NE2 GLN X 17 80.455 -9.733 -12.571 1.00 1.00 N ATOM 0 H GLN X 17 82.116 -6.209 -10.911 1.00 1.00 H new ATOM 0 HA GLN X 17 83.323 -8.599 -11.824 1.00 1.00 H new ATOM 0 HB2 GLN X 17 82.746 -5.922 -13.186 1.00 1.00 H new ATOM 0 HB3 GLN X 17 83.189 -7.385 -14.043 1.00 1.00 H new ATOM 0 HG2 GLN X 17 80.807 -7.246 -12.130 1.00 1.00 H new ATOM 0 HG3 GLN X 17 80.660 -6.937 -13.849 1.00 1.00 H new ATOM 0 HE21 GLN X 17 79.964 -9.321 -11.778 1.00 1.00 H new ATOM 0 HE22 GLN X 17 80.393 -10.736 -12.744 1.00 1.00 H new ATOM 289 N ALA X 18 85.241 -5.907 -11.928 1.00 1.00 N ATOM 290 CA ALA X 18 86.631 -5.479 -12.016 1.00 1.00 C ATOM 291 C ALA X 18 87.454 -6.067 -10.875 1.00 1.00 C ATOM 292 O ALA X 18 88.512 -6.642 -11.099 1.00 1.00 O ATOM 293 CB ALA X 18 86.706 -3.951 -11.969 1.00 1.00 C ATOM 0 H ALA X 18 84.568 -5.150 -11.809 1.00 1.00 H new ATOM 0 HA ALA X 18 87.042 -5.838 -12.960 1.00 1.00 H new ATOM 0 HB1 ALA X 18 87.747 -3.636 -12.035 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.147 -3.533 -12.806 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.278 -3.594 -11.032 1.00 1.00 H new ATOM 299 N LEU X 19 86.946 -5.930 -9.656 1.00 1.00 N ATOM 300 CA LEU X 19 87.624 -6.448 -8.476 1.00 1.00 C ATOM 301 C LEU X 19 87.818 -7.953 -8.587 1.00 1.00 C ATOM 302 O LEU X 19 88.818 -8.495 -8.114 1.00 1.00 O ATOM 303 CB LEU X 19 86.816 -6.107 -7.210 1.00 1.00 C ATOM 304 CG LEU X 19 87.293 -4.783 -6.580 1.00 1.00 C ATOM 305 CD1 LEU X 19 88.704 -4.965 -6.038 1.00 1.00 C ATOM 306 CD2 LEU X 19 87.296 -3.620 -7.592 1.00 1.00 C ATOM 0 H LEU X 19 86.062 -5.462 -9.459 1.00 1.00 H new ATOM 0 HA LEU X 19 88.606 -5.979 -8.406 1.00 1.00 H new ATOM 0 HB2 LEU X 19 85.758 -6.032 -7.461 1.00 1.00 H new ATOM 0 HB3 LEU X 19 86.916 -6.914 -6.484 1.00 1.00 H new ATOM 0 HG LEU X 19 86.595 -4.531 -5.781 1.00 1.00 H new ATOM 0 HD11 LEU X 19 89.046 -4.031 -5.592 1.00 1.00 H new ATOM 0 HD12 LEU X 19 88.705 -5.750 -5.282 1.00 1.00 H new ATOM 0 HD13 LEU X 19 89.373 -5.244 -6.852 1.00 1.00 H new ATOM 0 HD21 LEU X 19 87.640 -2.710 -7.100 1.00 1.00 H new ATOM 0 HD22 LEU X 19 87.964 -3.859 -8.419 1.00 1.00 H new ATOM 0 HD23 LEU X 19 86.286 -3.467 -7.973 1.00 1.00 H new ATOM 318 N LYS X 20 86.877 -8.628 -9.219 1.00 1.00 N ATOM 319 CA LYS X 20 86.995 -10.062 -9.383 1.00 1.00 C ATOM 320 C LYS X 20 88.274 -10.424 -10.128 1.00 1.00 C ATOM 321 O LYS X 20 88.979 -11.358 -9.746 1.00 1.00 O ATOM 322 CB LYS X 20 85.795 -10.602 -10.145 1.00 1.00 C ATOM 323 CG LYS X 20 84.878 -11.348 -9.184 1.00 1.00 C ATOM 324 CD LYS X 20 83.614 -11.762 -9.930 1.00 1.00 C ATOM 325 CE LYS X 20 82.779 -12.686 -9.044 1.00 1.00 C ATOM 326 NZ LYS X 20 81.577 -13.139 -9.798 1.00 1.00 N ATOM 0 H LYS X 20 86.036 -8.214 -9.621 1.00 1.00 H new ATOM 0 HA LYS X 20 87.030 -10.512 -8.391 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.254 -9.784 -10.620 1.00 1.00 H new ATOM 0 HB3 LYS X 20 86.126 -11.269 -10.941 1.00 1.00 H new ATOM 0 HG2 LYS X 20 85.385 -12.226 -8.784 1.00 1.00 H new ATOM 0 HG3 LYS X 20 84.624 -10.713 -8.335 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.034 -10.880 -10.202 1.00 1.00 H new ATOM 0 HD3 LYS X 20 83.876 -12.270 -10.858 1.00 1.00 H new ATOM 0 HE2 LYS X 20 83.373 -13.546 -8.734 1.00 1.00 H new ATOM 0 HE3 LYS X 20 82.477 -12.163 -8.136 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 80.840 -13.440 -9.128 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 81.217 -12.356 -10.380 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 81.833 -13.938 -10.413 1.00 1.00 H new ATOM 340 N THR X 21 88.574 -9.688 -11.190 1.00 1.00 N ATOM 341 CA THR X 21 89.776 -9.965 -11.967 1.00 1.00 C ATOM 342 C THR X 21 91.031 -9.495 -11.235 1.00 1.00 C ATOM 343 O THR X 21 92.141 -9.917 -11.563 1.00 1.00 O ATOM 344 CB THR X 21 89.681 -9.282 -13.332 1.00 1.00 C ATOM 345 OG1 THR X 21 89.519 -7.883 -13.149 1.00 1.00 O ATOM 346 CG2 THR X 21 88.482 -9.850 -14.092 1.00 1.00 C ATOM 0 H THR X 21 88.013 -8.907 -11.530 1.00 1.00 H new ATOM 0 HA THR X 21 89.850 -11.044 -12.104 1.00 1.00 H new ATOM 0 HB THR X 21 90.591 -9.464 -13.903 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.466 -7.682 -12.191 1.00 1.00 H new ATOM 0 HG21 THR X 21 88.407 -9.368 -15.067 1.00 1.00 H new ATOM 0 HG22 THR X 21 88.612 -10.924 -14.227 1.00 1.00 H new ATOM 0 HG23 THR X 21 87.570 -9.664 -13.524 1.00 1.00 H new ATOM 354 N ARG X 22 90.855 -8.614 -10.255 1.00 1.00 N ATOM 355 CA ARG X 22 91.987 -8.098 -9.500 1.00 1.00 C ATOM 356 C ARG X 22 92.475 -9.083 -8.444 1.00 1.00 C ATOM 357 O ARG X 22 93.563 -8.903 -7.894 1.00 1.00 O ATOM 358 CB ARG X 22 91.613 -6.792 -8.821 1.00 1.00 C ATOM 359 CG ARG X 22 91.427 -5.701 -9.877 1.00 1.00 C ATOM 360 CD ARG X 22 91.378 -4.334 -9.203 1.00 1.00 C ATOM 361 NE ARG X 22 92.433 -4.246 -8.204 1.00 1.00 N ATOM 362 CZ ARG X 22 92.286 -3.523 -7.099 1.00 1.00 C ATOM 363 NH1 ARG X 22 91.184 -2.852 -6.901 1.00 1.00 N ATOM 364 NH2 ARG X 22 93.242 -3.485 -6.212 1.00 1.00 N ATOM 0 H ARG X 22 89.948 -8.247 -9.968 1.00 1.00 H new ATOM 0 HA ARG X 22 92.795 -7.936 -10.213 1.00 1.00 H new ATOM 0 HB2 ARG X 22 90.694 -6.918 -8.248 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.391 -6.501 -8.116 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.246 -5.734 -10.595 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.507 -5.875 -10.435 1.00 1.00 H new ATOM 0 HD2 ARG X 22 91.500 -3.546 -9.946 1.00 1.00 H new ATOM 0 HD3 ARG X 22 90.406 -4.183 -8.734 1.00 1.00 H new ATOM 0 HE ARG X 22 93.306 -4.751 -8.356 1.00 1.00 H new ATOM 0 HH11 ARG X 22 90.436 -2.883 -7.594 1.00 1.00 H new ATOM 0 HH12 ARG X 22 91.070 -2.297 -6.053 1.00 1.00 H new ATOM 0 HH21 ARG X 22 94.102 -4.010 -6.367 1.00 1.00 H new ATOM 0 HH22 ARG X 22 93.129 -2.930 -5.364 1.00 1.00 H new ATOM 378 N GLY X 23 91.681 -10.112 -8.160 1.00 1.00 N ATOM 379 CA GLY X 23 92.066 -11.100 -7.154 1.00 1.00 C ATOM 380 C GLY X 23 91.166 -11.052 -5.926 1.00 1.00 C ATOM 381 O GLY X 23 91.567 -11.467 -4.840 1.00 1.00 O ATOM 0 H GLY X 23 90.779 -10.283 -8.605 1.00 1.00 H new ATOM 0 HA2 GLY X 23 92.026 -12.097 -7.593 1.00 1.00 H new ATOM 0 HA3 GLY X 23 93.099 -10.925 -6.852 1.00 1.00 H new ATOM 385 N VAL X 24 89.955 -10.543 -6.104 1.00 1.00 N ATOM 386 CA VAL X 24 89.007 -10.440 -5.002 1.00 1.00 C ATOM 387 C VAL X 24 87.785 -11.325 -5.242 1.00 1.00 C ATOM 388 O VAL X 24 87.260 -11.379 -6.346 1.00 1.00 O ATOM 389 CB VAL X 24 88.563 -8.991 -4.856 1.00 1.00 C ATOM 390 CG1 VAL X 24 87.354 -8.915 -3.922 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.718 -8.167 -4.281 1.00 1.00 C ATOM 0 H VAL X 24 89.606 -10.196 -6.997 1.00 1.00 H new ATOM 0 HA VAL X 24 89.499 -10.777 -4.090 1.00 1.00 H new ATOM 0 HB VAL X 24 88.283 -8.593 -5.831 1.00 1.00 H new ATOM 0 HG11 VAL X 24 87.038 -7.877 -3.819 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.536 -9.504 -4.337 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.625 -9.310 -2.943 1.00 1.00 H new ATOM 0 HG21 VAL X 24 89.406 -7.128 -4.174 1.00 1.00 H new ATOM 0 HG22 VAL X 24 89.998 -8.564 -3.305 1.00 1.00 H new ATOM 0 HG23 VAL X 24 90.574 -8.221 -4.954 1.00 1.00 H new ATOM 401 N LYS X 25 87.341 -12.013 -4.197 1.00 1.00 N ATOM 402 CA LYS X 25 86.176 -12.885 -4.303 1.00 1.00 C ATOM 403 C LYS X 25 85.110 -12.482 -3.286 1.00 1.00 C ATOM 404 O LYS X 25 85.068 -13.011 -2.174 1.00 1.00 O ATOM 405 CB LYS X 25 86.592 -14.334 -4.067 1.00 1.00 C ATOM 406 CG LYS X 25 85.397 -15.254 -4.312 1.00 1.00 C ATOM 407 CD LYS X 25 85.832 -16.708 -4.140 1.00 1.00 C ATOM 408 CE LYS X 25 84.641 -17.631 -4.402 1.00 1.00 C ATOM 409 NZ LYS X 25 85.077 -19.049 -4.275 1.00 1.00 N ATOM 0 H LYS X 25 87.767 -11.985 -3.271 1.00 1.00 H new ATOM 0 HA LYS X 25 85.757 -12.786 -5.305 1.00 1.00 H new ATOM 0 HB2 LYS X 25 87.412 -14.601 -4.733 1.00 1.00 H new ATOM 0 HB3 LYS X 25 86.956 -14.457 -3.047 1.00 1.00 H new ATOM 0 HG2 LYS X 25 84.594 -15.018 -3.614 1.00 1.00 H new ATOM 0 HG3 LYS X 25 85.003 -15.097 -5.316 1.00 1.00 H new ATOM 0 HD2 LYS X 25 86.644 -16.940 -4.829 1.00 1.00 H new ATOM 0 HD3 LYS X 25 86.214 -16.868 -3.132 1.00 1.00 H new ATOM 0 HE2 LYS X 25 83.841 -17.420 -3.693 1.00 1.00 H new ATOM 0 HE3 LYS X 25 84.239 -17.450 -5.399 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 84.268 -19.678 -4.453 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 85.827 -19.245 -4.968 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 85.441 -19.216 -3.315 1.00 1.00 H new ATOM 423 N VAL X 26 84.244 -11.551 -3.678 1.00 1.00 N ATOM 424 CA VAL X 26 83.174 -11.086 -2.799 1.00 1.00 C ATOM 425 C VAL X 26 81.857 -10.980 -3.564 1.00 1.00 C ATOM 426 O VAL X 26 81.848 -10.808 -4.780 1.00 1.00 O ATOM 427 CB VAL X 26 83.530 -9.716 -2.212 1.00 1.00 C ATOM 428 CG1 VAL X 26 84.746 -9.855 -1.297 1.00 1.00 C ATOM 429 CG2 VAL X 26 83.855 -8.731 -3.345 1.00 1.00 C ATOM 0 H VAL X 26 84.262 -11.105 -4.595 1.00 1.00 H new ATOM 0 HA VAL X 26 83.059 -11.809 -1.992 1.00 1.00 H new ATOM 0 HB VAL X 26 82.681 -9.340 -1.641 1.00 1.00 H new ATOM 0 HG11 VAL X 26 85.000 -8.881 -0.879 1.00 1.00 H new ATOM 0 HG12 VAL X 26 84.515 -10.548 -0.488 1.00 1.00 H new ATOM 0 HG13 VAL X 26 85.591 -10.235 -1.871 1.00 1.00 H new ATOM 0 HG21 VAL X 26 84.107 -7.759 -2.921 1.00 1.00 H new ATOM 0 HG22 VAL X 26 84.701 -9.106 -3.922 1.00 1.00 H new ATOM 0 HG23 VAL X 26 82.988 -8.628 -3.998 1.00 1.00 H new ATOM 439 N LYS X 27 80.745 -11.091 -2.842 1.00 1.00 N ATOM 440 CA LYS X 27 79.428 -11.010 -3.463 1.00 1.00 C ATOM 441 C LYS X 27 79.030 -9.552 -3.697 1.00 1.00 C ATOM 442 O LYS X 27 79.452 -8.661 -2.964 1.00 1.00 O ATOM 443 CB LYS X 27 78.409 -11.662 -2.540 1.00 1.00 C ATOM 444 CG LYS X 27 78.822 -13.107 -2.279 1.00 1.00 C ATOM 445 CD LYS X 27 77.863 -13.725 -1.268 1.00 1.00 C ATOM 446 CE LYS X 27 78.270 -15.174 -1.007 1.00 1.00 C ATOM 447 NZ LYS X 27 77.151 -15.895 -0.338 1.00 1.00 N ATOM 0 H LYS X 27 80.730 -11.236 -1.833 1.00 1.00 H new ATOM 0 HA LYS X 27 79.457 -11.523 -4.424 1.00 1.00 H new ATOM 0 HB2 LYS X 27 78.348 -11.113 -1.600 1.00 1.00 H new ATOM 0 HB3 LYS X 27 77.418 -11.630 -2.993 1.00 1.00 H new ATOM 0 HG2 LYS X 27 78.807 -13.676 -3.208 1.00 1.00 H new ATOM 0 HG3 LYS X 27 79.843 -13.144 -1.900 1.00 1.00 H new ATOM 0 HD2 LYS X 27 77.881 -13.157 -0.338 1.00 1.00 H new ATOM 0 HD3 LYS X 27 76.842 -13.685 -1.646 1.00 1.00 H new ATOM 0 HE2 LYS X 27 78.523 -15.666 -1.946 1.00 1.00 H new ATOM 0 HE3 LYS X 27 79.162 -15.205 -0.381 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 77.430 -16.881 -0.161 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 76.930 -15.430 0.566 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 76.311 -15.877 -0.951 1.00 1.00 H new ATOM 461 N TYR X 28 78.205 -9.321 -4.712 1.00 1.00 N ATOM 462 CA TYR X 28 77.739 -7.970 -5.022 1.00 1.00 C ATOM 463 C TYR X 28 76.883 -7.417 -3.889 1.00 1.00 C ATOM 464 O TYR X 28 77.023 -6.260 -3.494 1.00 1.00 O ATOM 465 CB TYR X 28 76.929 -7.993 -6.316 1.00 1.00 C ATOM 466 CG TYR X 28 75.581 -7.359 -6.086 1.00 1.00 C ATOM 467 CD1 TYR X 28 75.431 -5.968 -6.129 1.00 1.00 C ATOM 468 CD2 TYR X 28 74.472 -8.174 -5.831 1.00 1.00 C ATOM 469 CE1 TYR X 28 74.173 -5.392 -5.919 1.00 1.00 C ATOM 470 CE2 TYR X 28 73.213 -7.598 -5.620 1.00 1.00 C ATOM 471 CZ TYR X 28 73.064 -6.207 -5.664 1.00 1.00 C ATOM 472 OH TYR X 28 71.823 -5.642 -5.459 1.00 1.00 O ATOM 0 H TYR X 28 77.845 -10.046 -5.333 1.00 1.00 H new ATOM 0 HA TYR X 28 78.608 -7.323 -5.143 1.00 1.00 H new ATOM 0 HB2 TYR X 28 77.464 -7.457 -7.100 1.00 1.00 H new ATOM 0 HB3 TYR X 28 76.804 -9.020 -6.660 1.00 1.00 H new ATOM 0 HD1 TYR X 28 76.287 -5.339 -6.324 1.00 1.00 H new ATOM 0 HD2 TYR X 28 74.587 -9.247 -5.797 1.00 1.00 H new ATOM 0 HE1 TYR X 28 74.058 -4.319 -5.954 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.357 -8.227 -5.423 1.00 1.00 H new ATOM 0 HH TYR X 28 71.164 -6.349 -5.297 1.00 1.00 H new ATOM 482 N ALA X 29 75.985 -8.251 -3.386 1.00 1.00 N ATOM 483 CA ALA X 29 75.090 -7.847 -2.309 1.00 1.00 C ATOM 484 C ALA X 29 75.880 -7.310 -1.118 1.00 1.00 C ATOM 485 O ALA X 29 75.444 -6.376 -0.451 1.00 1.00 O ATOM 486 CB ALA X 29 74.242 -9.040 -1.855 1.00 1.00 C ATOM 0 H ALA X 29 75.856 -9.211 -3.705 1.00 1.00 H new ATOM 0 HA ALA X 29 74.441 -7.057 -2.688 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.577 -8.728 -1.050 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.650 -9.406 -2.694 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.895 -9.836 -1.498 1.00 1.00 H new ATOM 492 N ASP X 30 77.038 -7.901 -0.853 1.00 1.00 N ATOM 493 CA ASP X 30 77.859 -7.462 0.267 1.00 1.00 C ATOM 494 C ASP X 30 78.249 -5.996 0.107 1.00 1.00 C ATOM 495 O ASP X 30 78.091 -5.200 1.031 1.00 1.00 O ATOM 496 CB ASP X 30 79.119 -8.323 0.343 1.00 1.00 C ATOM 497 CG ASP X 30 78.782 -9.706 0.891 1.00 1.00 C ATOM 498 OD1 ASP X 30 77.670 -9.879 1.362 1.00 1.00 O ATOM 499 OD2 ASP X 30 79.647 -10.565 0.853 1.00 1.00 O ATOM 0 H ASP X 30 77.426 -8.676 -1.391 1.00 1.00 H new ATOM 0 HA ASP X 30 77.283 -7.569 1.186 1.00 1.00 H new ATOM 0 HB2 ASP X 30 79.565 -8.415 -0.647 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.859 -7.841 0.982 1.00 1.00 H new ATOM 504 N LEU X 31 78.751 -5.646 -1.068 1.00 1.00 N ATOM 505 CA LEU X 31 79.149 -4.272 -1.337 1.00 1.00 C ATOM 506 C LEU X 31 77.935 -3.351 -1.308 1.00 1.00 C ATOM 507 O LEU X 31 78.006 -2.237 -0.795 1.00 1.00 O ATOM 508 CB LEU X 31 79.841 -4.167 -2.702 1.00 1.00 C ATOM 509 CG LEU X 31 81.183 -4.911 -2.667 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.801 -4.926 -4.066 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.148 -4.221 -1.692 1.00 1.00 C ATOM 0 H LEU X 31 78.892 -6.290 -1.846 1.00 1.00 H new ATOM 0 HA LEU X 31 79.850 -3.965 -0.560 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.201 -4.589 -3.477 1.00 1.00 H new ATOM 0 HB3 LEU X 31 80.003 -3.120 -2.958 1.00 1.00 H new ATOM 0 HG LEU X 31 81.008 -5.933 -2.332 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.754 -5.455 -4.037 1.00 1.00 H new ATOM 0 HD12 LEU X 31 81.126 -5.431 -4.757 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.965 -3.902 -4.403 1.00 1.00 H new ATOM 0 HD21 LEU X 31 83.096 -4.759 -1.677 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.319 -3.194 -2.015 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.715 -4.220 -0.692 1.00 1.00 H new ATOM 523 N LEU X 32 76.826 -3.817 -1.868 1.00 1.00 N ATOM 524 CA LEU X 32 75.613 -3.010 -1.897 1.00 1.00 C ATOM 525 C LEU X 32 75.139 -2.712 -0.480 1.00 1.00 C ATOM 526 O LEU X 32 74.853 -1.566 -0.136 1.00 1.00 O ATOM 527 CB LEU X 32 74.517 -3.756 -2.669 1.00 1.00 C ATOM 528 CG LEU X 32 73.202 -2.961 -2.635 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.426 -1.566 -3.218 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.147 -3.691 -3.470 1.00 1.00 C ATOM 0 H LEU X 32 76.741 -4.736 -2.302 1.00 1.00 H new ATOM 0 HA LEU X 32 75.829 -2.066 -2.397 1.00 1.00 H new ATOM 0 HB2 LEU X 32 74.830 -3.909 -3.702 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.364 -4.743 -2.233 1.00 1.00 H new ATOM 0 HG LEU X 32 72.862 -2.872 -1.603 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.491 -1.006 -3.192 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.179 -1.042 -2.629 1.00 1.00 H new ATOM 0 HD13 LEU X 32 73.768 -1.653 -4.249 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.213 -3.130 -3.448 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.494 -3.778 -4.500 1.00 1.00 H new ATOM 0 HD23 LEU X 32 71.982 -4.686 -3.058 1.00 1.00 H new ATOM 542 N LYS X 33 75.066 -3.752 0.341 1.00 1.00 N ATOM 543 CA LYS X 33 74.634 -3.590 1.722 1.00 1.00 C ATOM 544 C LYS X 33 75.647 -2.751 2.489 1.00 1.00 C ATOM 545 O LYS X 33 75.280 -1.885 3.284 1.00 1.00 O ATOM 546 CB LYS X 33 74.486 -4.961 2.380 1.00 1.00 C ATOM 547 CG LYS X 33 73.339 -5.720 1.710 1.00 1.00 C ATOM 548 CD LYS X 33 73.275 -7.148 2.258 1.00 1.00 C ATOM 549 CE LYS X 33 72.258 -7.959 1.453 1.00 1.00 C ATOM 550 NZ LYS X 33 70.917 -7.316 1.545 1.00 1.00 N ATOM 0 H LYS X 33 75.298 -4.709 0.077 1.00 1.00 H new ATOM 0 HA LYS X 33 73.671 -3.080 1.738 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.414 -5.525 2.286 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.289 -4.847 3.446 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.395 -5.207 1.893 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.486 -5.741 0.630 1.00 1.00 H new ATOM 0 HD2 LYS X 33 74.258 -7.616 2.199 1.00 1.00 H new ATOM 0 HD3 LYS X 33 72.992 -7.133 3.311 1.00 1.00 H new ATOM 0 HE2 LYS X 33 72.571 -8.021 0.411 1.00 1.00 H new ATOM 0 HE3 LYS X 33 72.210 -8.979 1.833 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 70.187 -7.990 1.238 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 70.735 -7.032 2.529 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 70.892 -6.476 0.932 1.00 1.00 H new ATOM 564 N PHE X 34 76.924 -3.016 2.243 1.00 1.00 N ATOM 565 CA PHE X 34 77.978 -2.281 2.915 1.00 1.00 C ATOM 566 C PHE X 34 77.917 -0.797 2.568 1.00 1.00 C ATOM 567 O PHE X 34 78.122 0.061 3.424 1.00 1.00 O ATOM 568 CB PHE X 34 79.353 -2.837 2.535 1.00 1.00 C ATOM 569 CG PHE X 34 80.447 -1.909 3.038 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.321 -1.237 4.259 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.584 -1.713 2.245 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.332 -0.369 4.688 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.596 -0.846 2.675 1.00 1.00 C ATOM 574 CZ PHE X 34 82.470 -0.174 3.897 1.00 1.00 C ATOM 0 H PHE X 34 77.249 -3.728 1.589 1.00 1.00 H new ATOM 0 HA PHE X 34 77.828 -2.399 3.988 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.483 -3.831 2.963 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.425 -2.944 1.453 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.444 -1.388 4.870 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.681 -2.230 1.302 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.234 0.150 5.630 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.474 -0.696 2.064 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.251 0.494 4.229 1.00 1.00 H new ATOM 584 N PHE X 35 77.654 -0.506 1.298 1.00 1.00 N ATOM 585 CA PHE X 35 77.588 0.874 0.833 1.00 1.00 C ATOM 586 C PHE X 35 76.541 1.642 1.620 1.00 1.00 C ATOM 587 O PHE X 35 76.769 2.775 2.043 1.00 1.00 O ATOM 588 CB PHE X 35 77.243 0.907 -0.660 1.00 1.00 C ATOM 589 CG PHE X 35 77.672 2.228 -1.256 1.00 1.00 C ATOM 590 CD1 PHE X 35 76.969 3.397 -0.942 1.00 1.00 C ATOM 591 CD2 PHE X 35 78.775 2.283 -2.116 1.00 1.00 C ATOM 592 CE1 PHE X 35 77.370 4.622 -1.489 1.00 1.00 C ATOM 593 CE2 PHE X 35 79.177 3.507 -2.661 1.00 1.00 C ATOM 594 CZ PHE X 35 78.474 4.677 -2.349 1.00 1.00 C ATOM 0 H PHE X 35 77.484 -1.205 0.575 1.00 1.00 H new ATOM 0 HA PHE X 35 78.560 1.343 0.986 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.741 0.086 -1.176 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.171 0.766 -0.798 1.00 1.00 H new ATOM 0 HD1 PHE X 35 76.118 3.354 -0.278 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.316 1.380 -2.359 1.00 1.00 H new ATOM 0 HE1 PHE X 35 76.828 5.524 -1.248 1.00 1.00 H new ATOM 0 HE2 PHE X 35 80.030 3.550 -3.322 1.00 1.00 H new ATOM 0 HZ PHE X 35 78.783 5.622 -2.771 1.00 1.00 H new ATOM 604 N ASP X 36 75.391 1.021 1.809 1.00 1.00 N ATOM 605 CA ASP X 36 74.316 1.660 2.548 1.00 1.00 C ATOM 606 C ASP X 36 74.718 1.844 4.009 1.00 1.00 C ATOM 607 O ASP X 36 74.221 2.741 4.690 1.00 1.00 O ATOM 608 CB ASP X 36 73.046 0.809 2.454 1.00 1.00 C ATOM 609 CG ASP X 36 72.287 1.115 1.159 1.00 1.00 C ATOM 610 OD1 ASP X 36 72.692 2.028 0.458 1.00 1.00 O ATOM 611 OD2 ASP X 36 71.326 0.416 0.882 1.00 1.00 O ATOM 0 H ASP X 36 75.178 0.085 1.465 1.00 1.00 H new ATOM 0 HA ASP X 36 74.121 2.641 2.114 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.307 -0.249 2.488 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.405 1.007 3.313 1.00 1.00 H new ATOM 616 N PHE X 37 75.621 0.989 4.489 1.00 1.00 N ATOM 617 CA PHE X 37 76.080 1.076 5.872 1.00 1.00 C ATOM 618 C PHE X 37 76.790 2.404 6.129 1.00 1.00 C ATOM 619 O PHE X 37 76.447 3.136 7.061 1.00 1.00 O ATOM 620 CB PHE X 37 77.054 -0.063 6.153 1.00 1.00 C ATOM 621 CG PHE X 37 77.168 -0.274 7.637 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.935 0.604 8.411 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.501 -1.344 8.246 1.00 1.00 C ATOM 624 CE1 PHE X 37 78.036 0.412 9.795 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.602 -1.536 9.630 1.00 1.00 C ATOM 626 CZ PHE X 37 77.370 -0.657 10.404 1.00 1.00 C ATOM 0 H PHE X 37 76.044 0.236 3.946 1.00 1.00 H new ATOM 0 HA PHE X 37 75.211 1.007 6.527 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.709 -0.978 5.671 1.00 1.00 H new ATOM 0 HB3 PHE X 37 78.032 0.169 5.732 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.449 1.430 7.941 1.00 1.00 H new ATOM 0 HD2 PHE X 37 75.909 -2.021 7.649 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.628 1.090 10.392 1.00 1.00 H new ATOM 0 HE2 PHE X 37 76.088 -2.361 10.100 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.448 -0.804 11.471 1.00 1.00 H new ATOM 636 N VAL X 38 77.774 2.714 5.285 1.00 1.00 N ATOM 637 CA VAL X 38 78.518 3.965 5.421 1.00 1.00 C ATOM 638 C VAL X 38 77.622 5.150 5.102 1.00 1.00 C ATOM 639 O VAL X 38 77.794 6.230 5.650 1.00 1.00 O ATOM 640 CB VAL X 38 79.748 3.974 4.498 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.319 3.759 3.047 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.459 5.329 4.589 1.00 1.00 C ATOM 0 H VAL X 38 78.072 2.123 4.508 1.00 1.00 H new ATOM 0 HA VAL X 38 78.859 4.045 6.453 1.00 1.00 H new ATOM 0 HB VAL X 38 80.418 3.173 4.813 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.198 3.767 2.403 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.812 2.799 2.956 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.641 4.558 2.746 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.329 5.328 3.933 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.775 6.120 4.283 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.779 5.503 5.616 1.00 1.00 H new ATOM 652 N LYS X 39 76.675 4.943 4.199 1.00 1.00 N ATOM 653 CA LYS X 39 75.766 6.015 3.807 1.00 1.00 C ATOM 654 C LYS X 39 74.912 6.465 4.989 1.00 1.00 C ATOM 655 O LYS X 39 74.702 7.660 5.198 1.00 1.00 O ATOM 656 CB LYS X 39 74.856 5.545 2.671 1.00 1.00 C ATOM 657 CG LYS X 39 74.010 6.720 2.174 1.00 1.00 C ATOM 658 CD LYS X 39 73.147 6.261 0.996 1.00 1.00 C ATOM 659 CE LYS X 39 72.310 7.435 0.484 1.00 1.00 C ATOM 660 NZ LYS X 39 71.473 6.985 -0.665 1.00 1.00 N ATOM 0 H LYS X 39 76.515 4.053 3.727 1.00 1.00 H new ATOM 0 HA LYS X 39 76.367 6.859 3.468 1.00 1.00 H new ATOM 0 HB2 LYS X 39 75.455 5.143 1.854 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.210 4.739 3.019 1.00 1.00 H new ATOM 0 HG2 LYS X 39 73.377 7.093 2.979 1.00 1.00 H new ATOM 0 HG3 LYS X 39 74.655 7.543 1.868 1.00 1.00 H new ATOM 0 HD2 LYS X 39 73.780 5.877 0.196 1.00 1.00 H new ATOM 0 HD3 LYS X 39 72.495 5.445 1.306 1.00 1.00 H new ATOM 0 HE2 LYS X 39 71.675 7.818 1.283 1.00 1.00 H new ATOM 0 HE3 LYS X 39 72.961 8.253 0.175 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 70.904 7.783 -1.013 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 72.089 6.639 -1.429 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 70.842 6.219 -0.356 1.00 1.00 H new ATOM 674 N ASP X 40 74.409 5.498 5.751 1.00 1.00 N ATOM 675 CA ASP X 40 73.566 5.801 6.902 1.00 1.00 C ATOM 676 C ASP X 40 74.353 6.550 7.977 1.00 1.00 C ATOM 677 O ASP X 40 73.839 7.484 8.593 1.00 1.00 O ATOM 678 CB ASP X 40 73.007 4.498 7.491 1.00 1.00 C ATOM 679 CG ASP X 40 71.759 4.055 6.724 1.00 1.00 C ATOM 680 OD1 ASP X 40 71.346 4.780 5.834 1.00 1.00 O ATOM 681 OD2 ASP X 40 71.246 2.990 7.029 1.00 1.00 O ATOM 0 H ASP X 40 74.570 4.503 5.593 1.00 1.00 H new ATOM 0 HA ASP X 40 72.747 6.438 6.567 1.00 1.00 H new ATOM 0 HB2 ASP X 40 73.766 3.717 7.445 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.762 4.643 8.543 1.00 1.00 H new ATOM 836 N ILE X 51 94.631 8.016 -0.026 1.00 1.00 N ATOM 837 CA ILE X 51 93.538 7.070 -0.239 1.00 1.00 C ATOM 838 C ILE X 51 92.271 7.574 0.449 1.00 1.00 C ATOM 839 O ILE X 51 92.164 7.559 1.676 1.00 1.00 O ATOM 840 CB ILE X 51 93.922 5.692 0.330 1.00 1.00 C ATOM 841 CG1 ILE X 51 95.204 5.171 -0.340 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.789 4.701 0.067 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.862 4.112 0.550 1.00 1.00 C ATOM 0 HA ILE X 51 93.352 6.979 -1.309 1.00 1.00 H new ATOM 0 HB ILE X 51 94.094 5.793 1.402 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.968 4.744 -1.315 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.896 5.995 -0.512 1.00 1.00 H new ATOM 0 HG21 ILE X 51 93.059 3.725 0.469 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.878 5.053 0.551 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.621 4.617 -1.007 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.770 3.746 0.070 1.00 1.00 H new ATOM 0 HD12 ILE X 51 96.114 4.553 1.515 1.00 1.00 H new ATOM 0 HD13 ILE X 51 95.171 3.282 0.699 1.00 1.00 H new ATOM 855 N ASP X 52 91.317 8.027 -0.361 1.00 1.00 N ATOM 856 CA ASP X 52 90.055 8.543 0.162 1.00 1.00 C ATOM 857 C ASP X 52 89.184 7.408 0.674 1.00 1.00 C ATOM 858 O ASP X 52 88.505 7.537 1.692 1.00 1.00 O ATOM 859 CB ASP X 52 89.314 9.316 -0.929 1.00 1.00 C ATOM 860 CG ASP X 52 87.897 9.634 -0.471 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.655 9.584 0.724 1.00 1.00 O ATOM 862 OD2 ASP X 52 87.069 9.907 -1.322 1.00 1.00 O ATOM 0 H ASP X 52 91.393 8.047 -1.378 1.00 1.00 H new ATOM 0 HA ASP X 52 90.274 9.215 0.992 1.00 1.00 H new ATOM 0 HB2 ASP X 52 89.847 10.239 -1.158 1.00 1.00 H new ATOM 0 HB3 ASP X 52 89.285 8.729 -1.847 1.00 1.00 H new ATOM 867 N ILE X 53 89.213 6.296 -0.041 1.00 1.00 N ATOM 868 CA ILE X 53 88.429 5.136 0.341 1.00 1.00 C ATOM 869 C ILE X 53 88.816 4.659 1.734 1.00 1.00 C ATOM 870 O ILE X 53 88.038 3.998 2.404 1.00 1.00 O ATOM 871 CB ILE X 53 88.644 4.008 -0.670 1.00 1.00 C ATOM 872 CG1 ILE X 53 87.838 4.305 -1.925 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.157 2.691 -0.083 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.255 3.362 -3.050 1.00 1.00 C ATOM 0 H ILE X 53 89.770 6.173 -0.887 1.00 1.00 H new ATOM 0 HA ILE X 53 87.376 5.419 0.351 1.00 1.00 H new ATOM 0 HB ILE X 53 89.705 3.936 -0.907 1.00 1.00 H new ATOM 0 HG12 ILE X 53 86.774 4.190 -1.719 1.00 1.00 H new ATOM 0 HG13 ILE X 53 87.994 5.340 -2.230 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.312 1.891 -0.807 1.00 1.00 H new ATOM 0 HG22 ILE X 53 88.714 2.470 0.827 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.095 2.768 0.151 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.672 3.582 -3.944 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.315 3.498 -3.265 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.076 2.331 -2.745 1.00 1.00 H new ATOM 886 N LYS X 54 90.019 5.003 2.168 1.00 1.00 N ATOM 887 CA LYS X 54 90.498 4.575 3.476 1.00 1.00 C ATOM 888 C LYS X 54 89.456 4.834 4.551 1.00 1.00 C ATOM 889 O LYS X 54 89.191 3.969 5.387 1.00 1.00 O ATOM 890 CB LYS X 54 91.789 5.323 3.817 1.00 1.00 C ATOM 891 CG LYS X 54 92.312 4.855 5.174 1.00 1.00 C ATOM 892 CD LYS X 54 93.685 5.476 5.430 1.00 1.00 C ATOM 893 CE LYS X 54 94.222 4.998 6.780 1.00 1.00 C ATOM 894 NZ LYS X 54 93.836 5.975 7.836 1.00 1.00 N ATOM 0 H LYS X 54 90.679 5.573 1.639 1.00 1.00 H new ATOM 0 HA LYS X 54 90.690 3.503 3.439 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.539 5.144 3.046 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.604 6.397 3.839 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.617 5.143 5.963 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.383 3.767 5.193 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.375 5.197 4.634 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.611 6.563 5.421 1.00 1.00 H new ATOM 0 HE2 LYS X 54 93.821 4.012 7.016 1.00 1.00 H new ATOM 0 HE3 LYS X 54 95.307 4.899 6.739 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 94.155 5.628 8.763 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 94.281 6.894 7.638 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 92.802 6.086 7.845 1.00 1.00 H new ATOM 908 N ARG X 55 88.858 6.007 4.526 1.00 1.00 N ATOM 909 CA ARG X 55 87.838 6.339 5.506 1.00 1.00 C ATOM 910 C ARG X 55 86.610 5.445 5.362 1.00 1.00 C ATOM 911 O ARG X 55 85.998 5.063 6.360 1.00 1.00 O ATOM 912 CB ARG X 55 87.421 7.796 5.347 1.00 1.00 C ATOM 913 CG ARG X 55 88.549 8.702 5.833 1.00 1.00 C ATOM 914 CD ARG X 55 88.162 10.161 5.599 1.00 1.00 C ATOM 915 NE ARG X 55 88.156 10.454 4.171 1.00 1.00 N ATOM 916 CZ ARG X 55 89.284 10.753 3.535 1.00 1.00 C ATOM 917 NH1 ARG X 55 90.412 10.792 4.191 1.00 1.00 N ATOM 918 NH2 ARG X 55 89.264 11.011 2.257 1.00 1.00 N ATOM 0 H ARG X 55 89.056 6.741 3.846 1.00 1.00 H new ATOM 0 HA ARG X 55 88.265 6.178 6.496 1.00 1.00 H new ATOM 0 HB2 ARG X 55 87.193 8.009 4.302 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.513 7.990 5.917 1.00 1.00 H new ATOM 0 HG2 ARG X 55 88.738 8.530 6.892 1.00 1.00 H new ATOM 0 HG3 ARG X 55 89.472 8.469 5.302 1.00 1.00 H new ATOM 0 HD2 ARG X 55 87.177 10.357 6.023 1.00 1.00 H new ATOM 0 HD3 ARG X 55 88.865 10.819 6.110 1.00 1.00 H new ATOM 0 HE ARG X 55 87.277 10.429 3.654 1.00 1.00 H new ATOM 0 HH11 ARG X 55 90.427 10.593 5.191 1.00 1.00 H new ATOM 0 HH12 ARG X 55 91.278 11.021 3.703 1.00 1.00 H new ATOM 0 HH21 ARG X 55 88.382 10.983 1.745 1.00 1.00 H new ATOM 0 HH22 ARG X 55 90.130 11.240 1.769 1.00 1.00 H new ATOM 932 N TRP X 56 86.233 5.130 4.125 1.00 1.00 N ATOM 933 CA TRP X 56 85.056 4.305 3.901 1.00 1.00 C ATOM 934 C TRP X 56 85.236 2.914 4.510 1.00 1.00 C ATOM 935 O TRP X 56 84.357 2.402 5.205 1.00 1.00 O ATOM 936 CB TRP X 56 84.784 4.189 2.391 1.00 1.00 C ATOM 937 CG TRP X 56 83.633 3.258 2.132 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.674 2.944 3.034 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.304 2.528 0.915 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.780 2.067 2.449 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.125 1.779 1.143 1.00 1.00 C ATOM 942 CE3 TRP X 56 83.909 2.442 -0.353 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.566 0.975 0.149 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.349 1.633 -1.355 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.179 0.901 -1.104 1.00 1.00 C ATOM 0 H TRP X 56 86.717 5.429 3.278 1.00 1.00 H new ATOM 0 HA TRP X 56 84.204 4.780 4.388 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.562 5.174 1.979 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.676 3.824 1.882 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.617 3.318 4.046 1.00 1.00 H new ATOM 0 HE1 TRP X 56 80.965 1.680 2.924 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.810 3.002 -0.557 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.665 0.413 0.347 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 83.822 1.574 -2.324 1.00 1.00 H new ATOM 0 HH2 TRP X 56 81.753 0.281 -1.879 1.00 1.00 H new ATOM 956 N ARG X 57 86.383 2.310 4.242 1.00 1.00 N ATOM 957 CA ARG X 57 86.686 0.976 4.753 1.00 1.00 C ATOM 958 C ARG X 57 86.842 1.001 6.264 1.00 1.00 C ATOM 959 O ARG X 57 86.462 0.056 6.947 1.00 1.00 O ATOM 960 CB ARG X 57 87.971 0.440 4.115 1.00 1.00 C ATOM 961 CG ARG X 57 88.009 0.802 2.630 1.00 1.00 C ATOM 962 CD ARG X 57 86.922 0.058 1.867 1.00 1.00 C ATOM 963 NE ARG X 57 87.036 0.310 0.437 1.00 1.00 N ATOM 964 CZ ARG X 57 85.973 0.250 -0.358 1.00 1.00 C ATOM 965 NH1 ARG X 57 84.802 -0.037 0.141 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.100 0.478 -1.637 1.00 1.00 N ATOM 0 H ARG X 57 87.123 2.721 3.673 1.00 1.00 H new ATOM 0 HA ARG X 57 85.855 0.320 4.495 1.00 1.00 H new ATOM 0 HB2 ARG X 57 88.840 0.859 4.622 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.022 -0.642 4.235 1.00 1.00 H new ATOM 0 HG2 ARG X 57 87.874 1.877 2.509 1.00 1.00 H new ATOM 0 HG3 ARG X 57 88.986 0.554 2.215 1.00 1.00 H new ATOM 0 HD2 ARG X 57 87.001 -1.012 2.061 1.00 1.00 H new ATOM 0 HD3 ARG X 57 85.941 0.374 2.220 1.00 1.00 H new ATOM 0 HE ARG X 57 87.947 0.536 0.039 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.703 -0.215 1.140 1.00 1.00 H new ATOM 0 HH12 ARG X 57 83.985 -0.083 -0.468 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.016 0.702 -2.027 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.284 0.432 -2.247 1.00 1.00 H new ATOM 980 N ARG X 58 87.409 2.080 6.778 1.00 1.00 N ATOM 981 CA ARG X 58 87.605 2.196 8.217 1.00 1.00 C ATOM 982 C ARG X 58 86.273 2.120 8.956 1.00 1.00 C ATOM 983 O ARG X 58 86.164 1.451 9.982 1.00 1.00 O ATOM 984 CB ARG X 58 88.301 3.511 8.569 1.00 1.00 C ATOM 985 CG ARG X 58 89.815 3.357 8.417 1.00 1.00 C ATOM 986 CD ARG X 58 90.498 4.675 8.783 1.00 1.00 C ATOM 987 NE ARG X 58 91.945 4.538 8.673 1.00 1.00 N ATOM 988 CZ ARG X 58 92.672 4.070 9.684 1.00 1.00 C ATOM 989 NH1 ARG X 58 92.092 3.731 10.803 1.00 1.00 N ATOM 990 NH2 ARG X 58 93.965 3.951 9.558 1.00 1.00 N ATOM 0 H ARG X 58 87.738 2.877 6.233 1.00 1.00 H new ATOM 0 HA ARG X 58 88.235 1.363 8.528 1.00 1.00 H new ATOM 0 HB2 ARG X 58 87.941 4.308 7.919 1.00 1.00 H new ATOM 0 HB3 ARG X 58 88.057 3.799 9.592 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.177 2.556 9.061 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.062 3.078 7.393 1.00 1.00 H new ATOM 0 HD2 ARG X 58 90.149 5.470 8.123 1.00 1.00 H new ATOM 0 HD3 ARG X 58 90.229 4.963 9.799 1.00 1.00 H new ATOM 0 HE ARG X 58 92.409 4.806 7.805 1.00 1.00 H new ATOM 0 HH11 ARG X 58 91.081 3.825 10.902 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.650 3.372 11.578 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.419 4.217 8.684 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.522 3.592 10.333 1.00 1.00 H new ATOM 1004 N VAL X 59 85.264 2.803 8.433 1.00 1.00 N ATOM 1005 CA VAL X 59 83.949 2.798 9.064 1.00 1.00 C ATOM 1006 C VAL X 59 83.356 1.394 9.032 1.00 1.00 C ATOM 1007 O VAL X 59 82.791 0.921 10.018 1.00 1.00 O ATOM 1008 CB VAL X 59 83.016 3.760 8.322 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.653 3.805 9.012 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.634 5.161 8.312 1.00 1.00 C ATOM 0 H VAL X 59 85.328 3.362 7.582 1.00 1.00 H new ATOM 0 HA VAL X 59 84.056 3.118 10.101 1.00 1.00 H new ATOM 0 HB VAL X 59 82.883 3.411 7.298 1.00 1.00 H new ATOM 0 HG11 VAL X 59 80.997 4.492 8.477 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.212 2.808 9.012 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.776 4.147 10.039 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.972 5.847 7.784 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.771 5.505 9.337 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.600 5.129 7.807 1.00 1.00 H new ATOM 1020 N GLY X 60 83.481 0.737 7.886 1.00 1.00 N ATOM 1021 CA GLY X 60 82.943 -0.606 7.728 1.00 1.00 C ATOM 1022 C GLY X 60 83.696 -1.612 8.586 1.00 1.00 C ATOM 1023 O GLY X 60 83.089 -2.386 9.303 1.00 1.00 O ATOM 0 H GLY X 60 83.947 1.110 7.059 1.00 1.00 H new ATOM 0 HA2 GLY X 60 81.888 -0.611 8.001 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.003 -0.902 6.681 1.00 1.00 H new ATOM 1027 N ASP X 61 85.020 -1.596 8.501 1.00 1.00 N ATOM 1028 CA ASP X 61 85.848 -2.520 9.266 1.00 1.00 C ATOM 1029 C ASP X 61 85.650 -2.326 10.767 1.00 1.00 C ATOM 1030 O ASP X 61 85.546 -3.298 11.515 1.00 1.00 O ATOM 1031 CB ASP X 61 87.324 -2.295 8.914 1.00 1.00 C ATOM 1032 CG ASP X 61 87.683 -2.998 7.603 1.00 1.00 C ATOM 1033 OD1 ASP X 61 86.923 -3.855 7.181 1.00 1.00 O ATOM 1034 OD2 ASP X 61 88.711 -2.662 7.038 1.00 1.00 O ATOM 0 H ASP X 61 85.545 -0.952 7.909 1.00 1.00 H new ATOM 0 HA ASP X 61 85.552 -3.537 9.009 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.523 -1.227 8.825 1.00 1.00 H new ATOM 0 HB3 ASP X 61 87.956 -2.671 9.719 1.00 1.00 H new ATOM 1039 N CYS X 62 85.601 -1.072 11.205 1.00 1.00 N ATOM 1040 CA CYS X 62 85.421 -0.786 12.626 1.00 1.00 C ATOM 1041 C CYS X 62 84.061 -1.275 13.114 1.00 1.00 C ATOM 1042 O CYS X 62 83.965 -2.103 14.038 1.00 1.00 O ATOM 1043 CB CYS X 62 85.533 0.721 12.863 1.00 1.00 C ATOM 1044 SG CYS X 62 87.208 1.274 12.461 1.00 1.00 S ATOM 0 H CYS X 62 85.682 -0.249 10.608 1.00 1.00 H new ATOM 0 HA CYS X 62 86.198 -1.310 13.183 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.806 1.251 12.248 1.00 1.00 H new ATOM 0 HB3 CYS X 62 85.301 0.954 13.902 1.00 1.00 H new ATOM 0 HG CYS X 62 87.303 1.476 11.180 1.00 1.00 H new ATOM 1050 N PHE X 63 83.008 -0.771 12.486 1.00 1.00 N ATOM 1051 CA PHE X 63 81.663 -1.165 12.863 1.00 1.00 C ATOM 1052 C PHE X 63 81.454 -2.654 12.629 1.00 1.00 C ATOM 1053 O PHE X 63 80.725 -3.304 13.366 1.00 1.00 O ATOM 1054 CB PHE X 63 80.624 -0.361 12.082 1.00 1.00 C ATOM 1055 CG PHE X 63 80.370 0.953 12.785 1.00 1.00 C ATOM 1056 CD1 PHE X 63 79.786 0.960 14.056 1.00 1.00 C ATOM 1057 CD2 PHE X 63 80.713 2.160 12.166 1.00 1.00 C ATOM 1058 CE1 PHE X 63 79.545 2.176 14.710 1.00 1.00 C ATOM 1059 CE2 PHE X 63 80.473 3.375 12.817 1.00 1.00 C ATOM 1060 CZ PHE X 63 79.889 3.383 14.090 1.00 1.00 C ATOM 0 H PHE X 63 83.060 -0.097 11.722 1.00 1.00 H new ATOM 0 HA PHE X 63 81.537 -0.957 13.926 1.00 1.00 H new ATOM 0 HB2 PHE X 63 80.977 -0.180 11.067 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.696 -0.927 12.001 1.00 1.00 H new ATOM 0 HD1 PHE X 63 79.521 0.028 14.533 1.00 1.00 H new ATOM 0 HD2 PHE X 63 81.164 2.154 11.184 1.00 1.00 H new ATOM 0 HE1 PHE X 63 79.094 2.182 15.691 1.00 1.00 H new ATOM 0 HE2 PHE X 63 80.738 4.306 12.338 1.00 1.00 H new ATOM 0 HZ PHE X 63 79.704 4.320 14.593 1.00 1.00 H new ATOM 1070 N GLN X 64 82.094 -3.184 11.596 1.00 1.00 N ATOM 1071 CA GLN X 64 81.972 -4.597 11.267 1.00 1.00 C ATOM 1072 C GLN X 64 82.492 -5.463 12.404 1.00 1.00 C ATOM 1073 O GLN X 64 81.998 -6.562 12.629 1.00 1.00 O ATOM 1074 CB GLN X 64 82.774 -4.910 10.002 1.00 1.00 C ATOM 1075 CG GLN X 64 82.948 -6.422 9.865 1.00 1.00 C ATOM 1076 CD GLN X 64 84.198 -6.876 10.610 1.00 1.00 C ATOM 1077 OE1 GLN X 64 85.291 -6.364 10.367 1.00 1.00 O ATOM 1078 NE2 GLN X 64 84.099 -7.808 11.517 1.00 1.00 N ATOM 0 H GLN X 64 82.703 -2.656 10.971 1.00 1.00 H new ATOM 0 HA GLN X 64 80.917 -4.815 11.104 1.00 1.00 H new ATOM 0 HB2 GLN X 64 82.261 -4.512 9.126 1.00 1.00 H new ATOM 0 HB3 GLN X 64 83.749 -4.424 10.048 1.00 1.00 H new ATOM 0 HG2 GLN X 64 82.072 -6.934 10.263 1.00 1.00 H new ATOM 0 HG3 GLN X 64 83.024 -6.693 8.812 1.00 1.00 H new ATOM 0 HE21 GLN X 64 83.193 -8.231 11.717 1.00 1.00 H new ATOM 0 HE22 GLN X 64 84.928 -8.114 12.026 1.00 1.00 H new ATOM 1087 N ASP X 65 83.504 -4.971 13.108 1.00 1.00 N ATOM 1088 CA ASP X 65 84.086 -5.730 14.208 1.00 1.00 C ATOM 1089 C ASP X 65 83.075 -5.893 15.328 1.00 1.00 C ATOM 1090 O ASP X 65 82.881 -6.989 15.855 1.00 1.00 O ATOM 1091 CB ASP X 65 85.336 -5.023 14.735 1.00 1.00 C ATOM 1092 CG ASP X 65 86.475 -5.155 13.729 1.00 1.00 C ATOM 1093 OD1 ASP X 65 86.315 -5.900 12.776 1.00 1.00 O ATOM 1094 OD2 ASP X 65 87.489 -4.506 13.925 1.00 1.00 O ATOM 0 H ASP X 65 83.934 -4.062 12.940 1.00 1.00 H new ATOM 0 HA ASP X 65 84.366 -6.717 13.839 1.00 1.00 H new ATOM 0 HB2 ASP X 65 85.119 -3.970 14.915 1.00 1.00 H new ATOM 0 HB3 ASP X 65 85.632 -5.455 15.691 1.00 1.00 H new ATOM 1099 N TYR X 66 82.428 -4.791 15.682 1.00 1.00 N ATOM 1100 CA TYR X 66 81.426 -4.823 16.740 1.00 1.00 C ATOM 1101 C TYR X 66 80.132 -5.482 16.257 1.00 1.00 C ATOM 1102 O TYR X 66 79.494 -6.229 16.998 1.00 1.00 O ATOM 1103 CB TYR X 66 81.155 -3.404 17.234 1.00 1.00 C ATOM 1104 CG TYR X 66 79.752 -3.320 17.774 1.00 1.00 C ATOM 1105 CD1 TYR X 66 79.316 -4.231 18.743 1.00 1.00 C ATOM 1106 CD2 TYR X 66 78.882 -2.332 17.298 1.00 1.00 C ATOM 1107 CE1 TYR X 66 78.008 -4.154 19.237 1.00 1.00 C ATOM 1108 CE2 TYR X 66 77.574 -2.256 17.792 1.00 1.00 C ATOM 1109 CZ TYR X 66 77.137 -3.166 18.762 1.00 1.00 C ATOM 1110 OH TYR X 66 75.847 -3.092 19.248 1.00 1.00 O ATOM 0 H TYR X 66 82.576 -3.875 15.259 1.00 1.00 H new ATOM 0 HA TYR X 66 81.812 -5.422 17.565 1.00 1.00 H new ATOM 0 HB2 TYR X 66 81.871 -3.135 18.010 1.00 1.00 H new ATOM 0 HB3 TYR X 66 81.286 -2.692 16.419 1.00 1.00 H new ATOM 0 HD1 TYR X 66 79.988 -4.993 19.109 1.00 1.00 H new ATOM 0 HD2 TYR X 66 79.219 -1.629 16.551 1.00 1.00 H new ATOM 0 HE1 TYR X 66 77.671 -4.857 19.985 1.00 1.00 H new ATOM 0 HE2 TYR X 66 76.902 -1.495 17.424 1.00 1.00 H new ATOM 0 HH TYR X 66 75.376 -2.350 18.815 1.00 1.00 H new ATOM 1120 N TYR X 67 79.751 -5.193 15.018 1.00 1.00 N ATOM 1121 CA TYR X 67 78.533 -5.753 14.440 1.00 1.00 C ATOM 1122 C TYR X 67 78.649 -7.268 14.284 1.00 1.00 C ATOM 1123 O TYR X 67 77.713 -8.006 14.591 1.00 1.00 O ATOM 1124 CB TYR X 67 78.265 -5.110 13.074 1.00 1.00 C ATOM 1125 CG TYR X 67 77.476 -3.832 13.253 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.871 -2.893 14.214 1.00 1.00 C ATOM 1127 CD2 TYR X 67 76.343 -3.593 12.466 1.00 1.00 C ATOM 1128 CE1 TYR X 67 77.134 -1.715 14.386 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.607 -2.415 12.638 1.00 1.00 C ATOM 1130 CZ TYR X 67 76.001 -1.476 13.598 1.00 1.00 C ATOM 1131 OH TYR X 67 75.276 -0.315 13.766 1.00 1.00 O ATOM 0 H TYR X 67 80.268 -4.574 14.393 1.00 1.00 H new ATOM 0 HA TYR X 67 77.703 -5.540 15.114 1.00 1.00 H new ATOM 0 HB2 TYR X 67 79.208 -4.898 12.571 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.713 -5.802 12.438 1.00 1.00 H new ATOM 0 HD1 TYR X 67 78.744 -3.077 14.822 1.00 1.00 H new ATOM 0 HD2 TYR X 67 76.037 -4.318 11.726 1.00 1.00 H new ATOM 0 HE1 TYR X 67 77.439 -0.990 15.126 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.734 -2.230 12.029 1.00 1.00 H new ATOM 0 HH TYR X 67 74.522 -0.306 13.140 1.00 1.00 H new ATOM 1141 N ASN X 68 79.799 -7.729 13.797 1.00 1.00 N ATOM 1142 CA ASN X 68 80.011 -9.158 13.602 1.00 1.00 C ATOM 1143 C ASN X 68 79.989 -9.897 14.933 1.00 1.00 C ATOM 1144 O ASN X 68 79.372 -10.953 15.057 1.00 1.00 O ATOM 1145 CB ASN X 68 81.355 -9.397 12.922 1.00 1.00 C ATOM 1146 CG ASN X 68 81.248 -9.102 11.430 1.00 1.00 C ATOM 1147 OD1 ASN X 68 82.198 -9.329 10.681 1.00 1.00 O ATOM 1148 ND2 ASN X 68 80.138 -8.611 10.951 1.00 1.00 N ATOM 0 H ASN X 68 80.589 -7.140 13.533 1.00 1.00 H new ATOM 0 HA ASN X 68 79.205 -9.536 12.974 1.00 1.00 H new ATOM 0 HB2 ASN X 68 82.117 -8.761 13.372 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.670 -10.429 13.075 1.00 1.00 H new ATOM 0 HD21 ASN X 68 80.056 -8.414 9.954 1.00 1.00 H new ATOM 0 HD22 ASN X 68 79.352 -8.424 11.574 1.00 1.00 H new ATOM 1155 N THR X 69 80.676 -9.339 15.924 1.00 1.00 N ATOM 1156 CA THR X 69 80.723 -9.957 17.241 1.00 1.00 C ATOM 1157 C THR X 69 79.328 -10.013 17.837 1.00 1.00 C ATOM 1158 O THR X 69 78.899 -11.045 18.354 1.00 1.00 O ATOM 1159 CB THR X 69 81.652 -9.162 18.164 1.00 1.00 C ATOM 1160 OG1 THR X 69 82.958 -9.143 17.611 1.00 1.00 O ATOM 1161 CG2 THR X 69 81.694 -9.814 19.548 1.00 1.00 C ATOM 0 H THR X 69 81.202 -8.469 15.841 1.00 1.00 H new ATOM 0 HA THR X 69 81.109 -10.971 17.140 1.00 1.00 H new ATOM 0 HB THR X 69 81.278 -8.143 18.260 1.00 1.00 H new ATOM 0 HG1 THR X 69 83.030 -8.407 16.968 1.00 1.00 H new ATOM 0 HG21 THR X 69 82.356 -9.243 20.199 1.00 1.00 H new ATOM 0 HG22 THR X 69 80.691 -9.829 19.974 1.00 1.00 H new ATOM 0 HG23 THR X 69 82.065 -10.835 19.458 1.00 1.00 H new ATOM 1169 N PHE X 70 78.624 -8.889 17.762 1.00 1.00 N ATOM 1170 CA PHE X 70 77.271 -8.813 18.299 1.00 1.00 C ATOM 1171 C PHE X 70 76.349 -9.759 17.533 1.00 1.00 C ATOM 1172 O PHE X 70 75.512 -10.436 18.125 1.00 1.00 O ATOM 1173 CB PHE X 70 76.742 -7.372 18.219 1.00 1.00 C ATOM 1174 CG PHE X 70 75.506 -7.226 19.091 1.00 1.00 C ATOM 1175 CD1 PHE X 70 75.609 -7.411 20.473 1.00 1.00 C ATOM 1176 CD2 PHE X 70 74.270 -6.905 18.517 1.00 1.00 C ATOM 1177 CE1 PHE X 70 74.476 -7.274 21.284 1.00 1.00 C ATOM 1178 CE2 PHE X 70 73.136 -6.768 19.327 1.00 1.00 C ATOM 1179 CZ PHE X 70 73.240 -6.953 20.711 1.00 1.00 C ATOM 0 H PHE X 70 78.964 -8.025 17.339 1.00 1.00 H new ATOM 0 HA PHE X 70 77.293 -9.115 19.346 1.00 1.00 H new ATOM 0 HB2 PHE X 70 77.513 -6.674 18.545 1.00 1.00 H new ATOM 0 HB3 PHE X 70 76.501 -7.121 17.186 1.00 1.00 H new ATOM 0 HD1 PHE X 70 76.563 -7.660 20.915 1.00 1.00 H new ATOM 0 HD2 PHE X 70 74.191 -6.763 17.449 1.00 1.00 H new ATOM 0 HE1 PHE X 70 74.556 -7.416 22.352 1.00 1.00 H new ATOM 0 HE2 PHE X 70 72.182 -6.520 18.885 1.00 1.00 H new ATOM 0 HZ PHE X 70 72.366 -6.848 21.337 1.00 1.00 H new ATOM 1189 N GLY X 71 76.498 -9.790 16.207 1.00 1.00 N ATOM 1190 CA GLY X 71 75.659 -10.648 15.380 1.00 1.00 C ATOM 1191 C GLY X 71 75.547 -10.091 13.962 1.00 1.00 C ATOM 1192 O GLY X 71 76.048 -10.691 13.010 1.00 1.00 O ATOM 0 H GLY X 71 77.183 -9.237 15.692 1.00 1.00 H new ATOM 0 HA2 GLY X 71 76.078 -11.654 15.349 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.666 -10.730 15.823 1.00 1.00 H new ATOM 1196 N PRO X 72 74.900 -8.964 13.810 1.00 1.00 N ATOM 1197 CA PRO X 72 74.715 -8.306 12.492 1.00 1.00 C ATOM 1198 C PRO X 72 75.914 -8.506 11.572 1.00 1.00 C ATOM 1199 O PRO X 72 76.922 -7.816 11.680 1.00 1.00 O ATOM 1200 CB PRO X 72 74.532 -6.831 12.852 1.00 1.00 C ATOM 1201 CG PRO X 72 74.096 -6.791 14.285 1.00 1.00 C ATOM 1202 CD PRO X 72 74.268 -8.191 14.884 1.00 1.00 C ATOM 0 HA PRO X 72 73.873 -8.721 11.939 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.463 -6.280 12.715 1.00 1.00 H new ATOM 0 HB3 PRO X 72 73.787 -6.364 12.207 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.689 -6.065 14.841 1.00 1.00 H new ATOM 0 HG3 PRO X 72 73.056 -6.474 14.356 1.00 1.00 H new ATOM 0 HD2 PRO X 72 74.891 -8.168 15.778 1.00 1.00 H new ATOM 0 HD3 PRO X 72 73.309 -8.621 15.174 1.00 1.00 H new ATOM 1210 N GLU X 73 75.786 -9.460 10.663 1.00 1.00 N ATOM 1211 CA GLU X 73 76.852 -9.757 9.714 1.00 1.00 C ATOM 1212 C GLU X 73 76.680 -8.937 8.437 1.00 1.00 C ATOM 1213 O GLU X 73 77.423 -9.118 7.472 1.00 1.00 O ATOM 1214 CB GLU X 73 76.859 -11.251 9.395 1.00 1.00 C ATOM 1215 CG GLU X 73 75.594 -11.621 8.613 1.00 1.00 C ATOM 1216 CD GLU X 73 75.505 -13.135 8.449 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.462 -13.810 8.793 1.00 1.00 O ATOM 1218 OE2 GLU X 73 74.480 -13.598 7.977 1.00 1.00 O ATOM 0 H GLU X 73 74.955 -10.043 10.561 1.00 1.00 H new ATOM 0 HA GLU X 73 77.808 -9.487 10.163 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.745 -11.504 8.812 1.00 1.00 H new ATOM 0 HB3 GLU X 73 76.909 -11.829 10.318 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.712 -11.251 9.136 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.608 -11.141 7.634 1.00 1.00 H new ATOM 1225 N LYS X 74 75.687 -8.047 8.435 1.00 1.00 N ATOM 1226 CA LYS X 74 75.413 -7.217 7.265 1.00 1.00 C ATOM 1227 C LYS X 74 76.707 -6.781 6.595 1.00 1.00 C ATOM 1228 O LYS X 74 76.789 -6.740 5.367 1.00 1.00 O ATOM 1229 CB LYS X 74 74.592 -5.987 7.680 1.00 1.00 C ATOM 1230 CG LYS X 74 74.490 -5.003 6.509 1.00 1.00 C ATOM 1231 CD LYS X 74 73.617 -3.818 6.905 1.00 1.00 C ATOM 1232 CE LYS X 74 73.639 -2.796 5.772 1.00 1.00 C ATOM 1233 NZ LYS X 74 72.790 -1.631 6.139 1.00 1.00 N ATOM 0 H LYS X 74 75.064 -7.884 9.226 1.00 1.00 H new ATOM 0 HA LYS X 74 74.841 -7.807 6.549 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.595 -6.295 7.995 1.00 1.00 H new ATOM 0 HB3 LYS X 74 75.060 -5.499 8.535 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.484 -4.656 6.226 1.00 1.00 H new ATOM 0 HG3 LYS X 74 74.067 -5.503 5.638 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.596 -4.148 7.097 1.00 1.00 H new ATOM 0 HD3 LYS X 74 73.985 -3.368 7.827 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.661 -2.469 5.582 1.00 1.00 H new ATOM 0 HE3 LYS X 74 73.274 -3.250 4.851 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 72.805 -0.934 5.367 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 71.813 -1.950 6.299 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 73.158 -1.193 7.008 1.00 1.00 H new ATOM 1247 N VAL X 75 77.712 -6.464 7.401 1.00 1.00 N ATOM 1248 CA VAL X 75 78.999 -6.041 6.868 1.00 1.00 C ATOM 1249 C VAL X 75 80.106 -6.991 7.324 1.00 1.00 C ATOM 1250 O VAL X 75 80.770 -6.735 8.327 1.00 1.00 O ATOM 1251 CB VAL X 75 79.310 -4.620 7.335 1.00 1.00 C ATOM 1252 CG1 VAL X 75 78.775 -3.620 6.310 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.648 -4.362 8.690 1.00 1.00 C ATOM 0 H VAL X 75 77.661 -6.492 8.419 1.00 1.00 H new ATOM 0 HA VAL X 75 78.950 -6.061 5.779 1.00 1.00 H new ATOM 0 HB VAL X 75 80.389 -4.503 7.434 1.00 1.00 H new ATOM 0 HG11 VAL X 75 78.996 -2.606 6.642 1.00 1.00 H new ATOM 0 HG12 VAL X 75 79.250 -3.798 5.345 1.00 1.00 H new ATOM 0 HG13 VAL X 75 77.696 -3.742 6.211 1.00 1.00 H new ATOM 0 HG21 VAL X 75 78.873 -3.347 9.018 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.569 -4.482 8.596 1.00 1.00 H new ATOM 0 HG23 VAL X 75 79.030 -5.073 9.423 1.00 1.00 H new ATOM 1263 N PRO X 76 80.313 -8.078 6.614 1.00 1.00 N ATOM 1264 CA PRO X 76 81.368 -9.085 6.957 1.00 1.00 C ATOM 1265 C PRO X 76 82.775 -8.497 6.921 1.00 1.00 C ATOM 1266 O PRO X 76 83.046 -7.548 6.187 1.00 1.00 O ATOM 1267 CB PRO X 76 81.218 -10.170 5.884 1.00 1.00 C ATOM 1268 CG PRO X 76 79.866 -9.968 5.290 1.00 1.00 C ATOM 1269 CD PRO X 76 79.567 -8.479 5.409 1.00 1.00 C ATOM 0 HA PRO X 76 81.240 -9.458 7.973 1.00 1.00 H new ATOM 0 HB2 PRO X 76 81.996 -10.080 5.126 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.310 -11.165 6.319 1.00 1.00 H new ATOM 0 HG2 PRO X 76 79.847 -10.287 4.248 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.117 -10.559 5.817 1.00 1.00 H new ATOM 0 HD2 PRO X 76 79.901 -7.930 4.528 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.499 -8.291 5.516 1.00 1.00 H new ATOM 1277 N VAL X 77 83.667 -9.069 7.727 1.00 1.00 N ATOM 1278 CA VAL X 77 85.049 -8.602 7.786 1.00 1.00 C ATOM 1279 C VAL X 77 85.773 -8.878 6.470 1.00 1.00 C ATOM 1280 O VAL X 77 86.716 -8.172 6.110 1.00 1.00 O ATOM 1281 CB VAL X 77 85.792 -9.294 8.931 1.00 1.00 C ATOM 1282 CG1 VAL X 77 85.853 -10.800 8.665 1.00 1.00 C ATOM 1283 CG2 VAL X 77 87.215 -8.737 9.023 1.00 1.00 C ATOM 0 H VAL X 77 83.458 -9.853 8.345 1.00 1.00 H new ATOM 0 HA VAL X 77 85.034 -7.526 7.960 1.00 1.00 H new ATOM 0 HB VAL X 77 85.266 -9.111 9.868 1.00 1.00 H new ATOM 0 HG11 VAL X 77 86.382 -11.292 9.481 1.00 1.00 H new ATOM 0 HG12 VAL X 77 84.841 -11.199 8.596 1.00 1.00 H new ATOM 0 HG13 VAL X 77 86.379 -10.983 7.728 1.00 1.00 H new ATOM 0 HG21 VAL X 77 87.746 -9.229 9.838 1.00 1.00 H new ATOM 0 HG22 VAL X 77 87.739 -8.921 8.085 1.00 1.00 H new ATOM 0 HG23 VAL X 77 87.174 -7.664 9.211 1.00 1.00 H new ATOM 1293 N THR X 78 85.333 -9.912 5.758 1.00 1.00 N ATOM 1294 CA THR X 78 85.956 -10.277 4.488 1.00 1.00 C ATOM 1295 C THR X 78 86.218 -9.032 3.643 1.00 1.00 C ATOM 1296 O THR X 78 87.030 -9.054 2.714 1.00 1.00 O ATOM 1297 CB THR X 78 85.041 -11.237 3.722 1.00 1.00 C ATOM 1298 OG1 THR X 78 83.810 -10.586 3.435 1.00 1.00 O ATOM 1299 CG2 THR X 78 84.774 -12.480 4.572 1.00 1.00 C ATOM 0 H THR X 78 84.553 -10.508 6.036 1.00 1.00 H new ATOM 0 HA THR X 78 86.908 -10.766 4.694 1.00 1.00 H new ATOM 0 HB THR X 78 85.524 -11.533 2.791 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.223 -11.198 2.943 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.123 -13.162 4.025 1.00 1.00 H new ATOM 0 HG22 THR X 78 85.717 -12.979 4.793 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.291 -12.187 5.504 1.00 1.00 H new ATOM 1307 N ALA X 79 85.530 -7.949 3.978 1.00 1.00 N ATOM 1308 CA ALA X 79 85.695 -6.698 3.252 1.00 1.00 C ATOM 1309 C ALA X 79 87.114 -6.163 3.415 1.00 1.00 C ATOM 1310 O ALA X 79 87.631 -5.471 2.539 1.00 1.00 O ATOM 1311 CB ALA X 79 84.691 -5.663 3.764 1.00 1.00 C ATOM 0 H ALA X 79 84.856 -7.911 4.743 1.00 1.00 H new ATOM 0 HA ALA X 79 85.514 -6.887 2.194 1.00 1.00 H new ATOM 0 HB1 ALA X 79 84.820 -4.729 3.217 1.00 1.00 H new ATOM 0 HB2 ALA X 79 83.677 -6.034 3.614 1.00 1.00 H new ATOM 0 HB3 ALA X 79 84.860 -5.487 4.826 1.00 1.00 H new ATOM 1317 N PHE X 80 87.736 -6.480 4.546 1.00 1.00 N ATOM 1318 CA PHE X 80 89.092 -6.014 4.810 1.00 1.00 C ATOM 1319 C PHE X 80 90.054 -6.515 3.736 1.00 1.00 C ATOM 1320 O PHE X 80 90.840 -5.743 3.187 1.00 1.00 O ATOM 1321 CB PHE X 80 89.549 -6.513 6.184 1.00 1.00 C ATOM 1322 CG PHE X 80 90.896 -5.917 6.519 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.061 -6.410 5.921 1.00 1.00 C ATOM 1324 CD2 PHE X 80 90.973 -4.860 7.435 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.303 -5.847 6.236 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.216 -4.297 7.751 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.381 -4.791 7.152 1.00 1.00 C ATOM 0 H PHE X 80 87.328 -7.051 5.286 1.00 1.00 H new ATOM 0 HA PHE X 80 89.094 -4.924 4.796 1.00 1.00 H new ATOM 0 HB2 PHE X 80 88.819 -6.236 6.944 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.612 -7.601 6.184 1.00 1.00 H new ATOM 0 HD1 PHE X 80 92.002 -7.226 5.216 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.074 -4.479 7.897 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.201 -6.227 5.772 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.276 -3.482 8.457 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.340 -4.358 7.396 1.00 1.00 H new ATOM 1337 N SER X 81 89.992 -7.811 3.447 1.00 1.00 N ATOM 1338 CA SER X 81 90.873 -8.406 2.440 1.00 1.00 C ATOM 1339 C SER X 81 90.618 -7.786 1.069 1.00 1.00 C ATOM 1340 O SER X 81 91.554 -7.422 0.341 1.00 1.00 O ATOM 1341 CB SER X 81 90.640 -9.914 2.374 1.00 1.00 C ATOM 1342 OG SER X 81 91.517 -10.489 1.413 1.00 1.00 O ATOM 0 H SER X 81 89.348 -8.467 3.890 1.00 1.00 H new ATOM 0 HA SER X 81 91.907 -8.210 2.725 1.00 1.00 H new ATOM 0 HB2 SER X 81 90.812 -10.362 3.353 1.00 1.00 H new ATOM 0 HB3 SER X 81 89.604 -10.121 2.106 1.00 1.00 H new ATOM 0 HG SER X 81 91.368 -11.457 1.372 1.00 1.00 H new ATOM 1348 N TYR X 82 89.340 -7.646 0.734 1.00 1.00 N ATOM 1349 CA TYR X 82 88.954 -7.053 -0.538 1.00 1.00 C ATOM 1350 C TYR X 82 89.567 -5.665 -0.662 1.00 1.00 C ATOM 1351 O TYR X 82 90.092 -5.275 -1.717 1.00 1.00 O ATOM 1352 CB TYR X 82 87.420 -6.978 -0.613 1.00 1.00 C ATOM 1353 CG TYR X 82 86.987 -5.600 -1.055 1.00 1.00 C ATOM 1354 CD1 TYR X 82 87.291 -5.158 -2.348 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.305 -4.757 -0.169 1.00 1.00 C ATOM 1356 CE1 TYR X 82 86.915 -3.872 -2.755 1.00 1.00 C ATOM 1357 CE2 TYR X 82 85.927 -3.472 -0.576 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.233 -3.029 -1.869 1.00 1.00 C ATOM 1359 OH TYR X 82 85.849 -1.774 -2.281 1.00 1.00 O ATOM 0 H TYR X 82 88.559 -7.934 1.323 1.00 1.00 H new ATOM 0 HA TYR X 82 89.319 -7.666 -1.362 1.00 1.00 H new ATOM 0 HB2 TYR X 82 87.046 -7.726 -1.311 1.00 1.00 H new ATOM 0 HB3 TYR X 82 86.989 -7.208 0.362 1.00 1.00 H new ATOM 0 HD1 TYR X 82 87.816 -5.809 -3.032 1.00 1.00 H new ATOM 0 HD2 TYR X 82 86.071 -5.098 0.829 1.00 1.00 H new ATOM 0 HE1 TYR X 82 87.151 -3.530 -3.752 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.400 -2.822 0.107 1.00 1.00 H new ATOM 0 HH TYR X 82 84.902 -1.636 -2.071 1.00 1.00 H new ATOM 1369 N TRP X 83 89.510 -4.924 0.430 1.00 1.00 N ATOM 1370 CA TRP X 83 90.069 -3.586 0.441 1.00 1.00 C ATOM 1371 C TRP X 83 91.581 -3.631 0.278 1.00 1.00 C ATOM 1372 O TRP X 83 92.185 -2.694 -0.241 1.00 1.00 O ATOM 1373 CB TRP X 83 89.704 -2.863 1.729 1.00 1.00 C ATOM 1374 CG TRP X 83 90.398 -1.540 1.760 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.534 -0.705 0.704 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.040 -0.881 2.889 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.218 0.425 1.114 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.552 0.365 2.452 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.226 -1.238 4.237 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.224 1.225 3.322 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 91.902 -0.374 5.115 1.00 1.00 C ATOM 1382 CH2 TRP X 83 92.401 0.854 4.658 1.00 1.00 C ATOM 0 H TRP X 83 89.088 -5.222 1.310 1.00 1.00 H new ATOM 0 HA TRP X 83 89.645 -3.038 -0.400 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.625 -2.723 1.789 1.00 1.00 H new ATOM 0 HB3 TRP X 83 89.996 -3.461 2.592 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.168 -0.890 -0.295 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.448 1.208 0.502 1.00 1.00 H new ATOM 0 HE3 TRP X 83 90.847 -2.182 4.599 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.605 2.171 2.965 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 92.038 -0.658 6.148 1.00 1.00 H new ATOM 0 HH2 TRP X 83 92.922 1.513 5.337 1.00 1.00 H new ATOM 1393 N ASN X 84 92.195 -4.716 0.744 1.00 1.00 N ATOM 1394 CA ASN X 84 93.643 -4.852 0.654 1.00 1.00 C ATOM 1395 C ASN X 84 94.077 -4.716 -0.793 1.00 1.00 C ATOM 1396 O ASN X 84 95.042 -4.004 -1.099 1.00 1.00 O ATOM 1397 CB ASN X 84 94.072 -6.228 1.151 1.00 1.00 C ATOM 1398 CG ASN X 84 95.454 -6.155 1.790 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.407 -6.743 1.279 1.00 1.00 O ATOM 1400 ND2 ASN X 84 95.622 -5.463 2.884 1.00 1.00 N ATOM 0 H ASN X 84 91.718 -5.504 1.182 1.00 1.00 H new ATOM 0 HA ASN X 84 94.103 -4.075 1.265 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.349 -6.602 1.876 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.085 -6.934 0.321 1.00 1.00 H new ATOM 0 HD21 ASN X 84 96.544 -5.409 3.317 1.00 1.00 H new ATOM 0 HD22 ASN X 84 94.831 -4.976 3.306 1.00 1.00 H new ATOM 1407 N LEU X 85 93.356 -5.386 -1.693 1.00 1.00 N ATOM 1408 CA LEU X 85 93.713 -5.293 -3.098 1.00 1.00 C ATOM 1409 C LEU X 85 93.583 -3.853 -3.579 1.00 1.00 C ATOM 1410 O LEU X 85 94.475 -3.337 -4.255 1.00 1.00 O ATOM 1411 CB LEU X 85 92.853 -6.224 -3.981 1.00 1.00 C ATOM 1412 CG LEU X 85 93.540 -7.586 -4.144 1.00 1.00 C ATOM 1413 CD1 LEU X 85 94.803 -7.447 -5.007 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.914 -8.137 -2.769 1.00 1.00 C ATOM 0 H LEU X 85 92.552 -5.976 -1.481 1.00 1.00 H new ATOM 0 HA LEU X 85 94.749 -5.618 -3.191 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.869 -6.357 -3.531 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.698 -5.768 -4.959 1.00 1.00 H new ATOM 0 HG LEU X 85 92.852 -8.272 -4.638 1.00 1.00 H new ATOM 0 HD11 LEU X 85 95.280 -8.421 -5.114 1.00 1.00 H new ATOM 0 HD12 LEU X 85 94.531 -7.066 -5.991 1.00 1.00 H new ATOM 0 HD13 LEU X 85 95.496 -6.755 -4.529 1.00 1.00 H new ATOM 0 HD21 LEU X 85 94.402 -9.105 -2.885 1.00 1.00 H new ATOM 0 HD22 LEU X 85 94.594 -7.445 -2.272 1.00 1.00 H new ATOM 0 HD23 LEU X 85 93.013 -8.255 -2.167 1.00 1.00 H new ATOM 1426 N ILE X 86 92.493 -3.183 -3.205 1.00 1.00 N ATOM 1427 CA ILE X 86 92.309 -1.796 -3.617 1.00 1.00 C ATOM 1428 C ILE X 86 93.474 -0.914 -3.180 1.00 1.00 C ATOM 1429 O ILE X 86 93.983 -0.113 -3.967 1.00 1.00 O ATOM 1430 CB ILE X 86 91.027 -1.264 -3.008 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.846 -1.592 -3.925 1.00 1.00 C ATOM 1432 CG2 ILE X 86 91.140 0.246 -2.794 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.547 -1.164 -3.242 1.00 1.00 C ATOM 0 H ILE X 86 91.742 -3.568 -2.632 1.00 1.00 H new ATOM 0 HA ILE X 86 92.259 -1.772 -4.706 1.00 1.00 H new ATOM 0 HB ILE X 86 90.861 -1.738 -2.041 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.956 -1.077 -4.879 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.823 -2.660 -4.141 1.00 1.00 H new ATOM 0 HG21 ILE X 86 90.215 0.622 -2.356 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.972 0.457 -2.122 1.00 1.00 H new ATOM 0 HG23 ILE X 86 91.314 0.737 -3.751 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.702 -1.395 -3.890 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.438 -1.700 -2.299 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.574 -0.092 -3.049 1.00 1.00 H new ATOM 1445 N LYS X 87 93.880 -1.042 -1.926 1.00 1.00 N ATOM 1446 CA LYS X 87 94.968 -0.223 -1.416 1.00 1.00 C ATOM 1447 C LYS X 87 96.151 -0.281 -2.352 1.00 1.00 C ATOM 1448 O LYS X 87 96.771 0.739 -2.651 1.00 1.00 O ATOM 1449 CB LYS X 87 95.397 -0.718 -0.034 1.00 1.00 C ATOM 1450 CG LYS X 87 94.497 -0.108 1.039 1.00 1.00 C ATOM 1451 CD LYS X 87 95.071 -0.411 2.428 1.00 1.00 C ATOM 1452 CE LYS X 87 94.873 -1.888 2.774 1.00 1.00 C ATOM 1453 NZ LYS X 87 95.155 -2.093 4.224 1.00 1.00 N ATOM 0 H LYS X 87 93.480 -1.695 -1.252 1.00 1.00 H new ATOM 0 HA LYS X 87 94.617 0.806 -1.341 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.340 -1.806 0.006 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.436 -0.446 0.153 1.00 1.00 H new ATOM 0 HG2 LYS X 87 94.420 0.970 0.894 1.00 1.00 H new ATOM 0 HG3 LYS X 87 93.489 -0.513 0.955 1.00 1.00 H new ATOM 0 HD2 LYS X 87 96.132 -0.164 2.452 1.00 1.00 H new ATOM 0 HD3 LYS X 87 94.581 0.213 3.175 1.00 1.00 H new ATOM 0 HE2 LYS X 87 93.853 -2.195 2.543 1.00 1.00 H new ATOM 0 HE3 LYS X 87 95.537 -2.507 2.171 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 95.022 -3.096 4.465 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 96.136 -1.815 4.430 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 94.504 -1.512 4.790 1.00 1.00 H new ATOM 1467 N GLU X 88 96.452 -1.472 -2.817 1.00 1.00 N ATOM 1468 CA GLU X 88 97.559 -1.651 -3.733 1.00 1.00 C ATOM 1469 C GLU X 88 97.286 -0.947 -5.059 1.00 1.00 C ATOM 1470 O GLU X 88 98.214 -0.508 -5.729 1.00 1.00 O ATOM 1471 CB GLU X 88 97.810 -3.144 -3.968 1.00 1.00 C ATOM 1472 CG GLU X 88 98.389 -3.767 -2.697 1.00 1.00 C ATOM 1473 CD GLU X 88 98.558 -5.270 -2.887 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.323 -5.737 -3.989 1.00 1.00 O ATOM 1475 OE2 GLU X 88 98.912 -5.934 -1.926 1.00 1.00 O ATOM 0 H GLU X 88 95.950 -2.328 -2.579 1.00 1.00 H new ATOM 0 HA GLU X 88 98.449 -1.206 -3.288 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.879 -3.642 -4.239 1.00 1.00 H new ATOM 0 HB3 GLU X 88 98.500 -3.282 -4.801 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.351 -3.311 -2.463 1.00 1.00 H new ATOM 0 HG3 GLU X 88 97.729 -3.570 -1.852 1.00 1.00 H new ATOM 1482 N LEU X 89 96.015 -0.857 -5.449 1.00 1.00 N ATOM 1483 CA LEU X 89 95.671 -0.212 -6.719 1.00 1.00 C ATOM 1484 C LEU X 89 95.771 1.310 -6.638 1.00 1.00 C ATOM 1485 O LEU X 89 96.393 1.943 -7.490 1.00 1.00 O ATOM 1486 CB LEU X 89 94.244 -0.591 -7.108 1.00 1.00 C ATOM 1487 CG LEU X 89 93.899 -0.057 -8.503 1.00 1.00 C ATOM 1488 CD1 LEU X 89 94.760 -0.752 -9.564 1.00 1.00 C ATOM 1489 CD2 LEU X 89 92.421 -0.338 -8.787 1.00 1.00 C ATOM 0 H LEU X 89 95.220 -1.214 -4.918 1.00 1.00 H new ATOM 0 HA LEU X 89 96.384 -0.558 -7.467 1.00 1.00 H new ATOM 0 HB2 LEU X 89 94.134 -1.675 -7.091 1.00 1.00 H new ATOM 0 HB3 LEU X 89 93.544 -0.188 -6.376 1.00 1.00 H new ATOM 0 HG LEU X 89 94.093 1.015 -8.538 1.00 1.00 H new ATOM 0 HD11 LEU X 89 94.505 -0.364 -10.550 1.00 1.00 H new ATOM 0 HD12 LEU X 89 95.814 -0.561 -9.360 1.00 1.00 H new ATOM 0 HD13 LEU X 89 94.574 -1.826 -9.537 1.00 1.00 H new ATOM 0 HD21 LEU X 89 92.163 0.037 -9.777 1.00 1.00 H new ATOM 0 HD22 LEU X 89 92.241 -1.412 -8.748 1.00 1.00 H new ATOM 0 HD23 LEU X 89 91.805 0.161 -8.038 1.00 1.00 H new ATOM 1501 N ILE X 90 95.135 1.890 -5.626 1.00 1.00 N ATOM 1502 CA ILE X 90 95.138 3.340 -5.462 1.00 1.00 C ATOM 1503 C ILE X 90 96.521 3.826 -5.061 1.00 1.00 C ATOM 1504 O ILE X 90 96.892 4.971 -5.324 1.00 1.00 O ATOM 1505 CB ILE X 90 94.111 3.739 -4.403 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.765 3.122 -4.754 1.00 1.00 C ATOM 1507 CG2 ILE X 90 93.943 5.258 -4.401 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.800 3.273 -3.581 1.00 1.00 C ATOM 0 H ILE X 90 94.614 1.383 -4.911 1.00 1.00 H new ATOM 0 HA ILE X 90 94.873 3.804 -6.412 1.00 1.00 H new ATOM 0 HB ILE X 90 94.452 3.393 -3.427 1.00 1.00 H new ATOM 0 HG12 ILE X 90 92.353 3.607 -5.639 1.00 1.00 H new ATOM 0 HG13 ILE X 90 92.892 2.067 -4.998 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.210 5.542 -3.646 1.00 1.00 H new ATOM 0 HG22 ILE X 90 94.899 5.730 -4.175 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.599 5.587 -5.382 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.839 2.829 -3.841 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.209 2.767 -2.706 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.662 4.331 -3.357 1.00 1.00 H new ATOM 1520 N ASP X 91 97.274 2.946 -4.414 1.00 1.00 N ATOM 1521 CA ASP X 91 98.620 3.289 -3.962 1.00 1.00 C ATOM 1522 C ASP X 91 99.534 3.566 -5.157 1.00 1.00 C ATOM 1523 O ASP X 91 100.402 4.437 -5.090 1.00 1.00 O ATOM 1524 CB ASP X 91 99.202 2.139 -3.126 1.00 1.00 C ATOM 1525 CG ASP X 91 98.745 2.258 -1.668 1.00 1.00 C ATOM 1526 OD1 ASP X 91 98.551 3.372 -1.211 1.00 1.00 O ATOM 1527 OD2 ASP X 91 98.571 1.225 -1.042 1.00 1.00 O ATOM 0 H ASP X 91 96.980 1.995 -4.191 1.00 1.00 H new ATOM 0 HA ASP X 91 98.559 4.188 -3.349 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.881 1.182 -3.538 1.00 1.00 H new ATOM 0 HB3 ASP X 91 100.291 2.159 -3.176 1.00 1.00 H new