USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 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 51 ASN : amide:sc= 0.177 K(o=-0.1,f=-2.9!) USER MOD Set 1.2: A 54 CYS SG : rot -130:sc= -0.279 USER MOD Set 2.1: A 49 ASN : amide:sc= -1.4 K(o=-0.58,f=-4.1!) USER MOD Set 2.2: A 72 THR OG1 : rot 91:sc= 0.82 USER MOD Set 3.1: A 32 GLN : amide:sc= -0.0879 K(o=-0.41,f=-4.1) USER MOD Set 3.2: A 42 THR OG1 : rot -69:sc= -0.327 USER MOD Set 4.1: A 26 LYS NZ :NH3+ 159:sc= 0.235 (180deg=-0.157) USER MOD Set 4.2: A 27 THR OG1 : rot 180:sc= -0.369 USER MOD Set 5.1: A 25 TYR OH : rot -140:sc=-0.00564 USER MOD Set 5.2: A 39 ASN : amide:sc= -0.953 K(o=-0.77,f=-4.8!) USER MOD Set 5.3: A 44 THR OG1 : rot -164:sc= 0.184 USER MOD Single : A 11 GLN : amide:sc= -0.345 K(o=-0.34,f=-4.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 130:sc= -0.413 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.937 K(o=0.94,f=-7.8!) USER MOD Single : A 38 LYS NZ :NH3+ -134:sc= 0.465 (180deg=-0.824!) USER MOD Single : A 41 MET CE :methyl 173:sc= 0 (180deg=-0.0888) USER MOD Single : A 48 GLN : amide:sc= 0.316 X(o=0.32,f=-0.05) USER MOD Single : A 55 LYS NZ :NH3+ -149:sc= 0.612 (180deg=-1.44!) USER MOD Single : A 56 THR OG1 : rot 88:sc= 1.24 USER MOD Single : A 59 LYS NZ :NH3+ -127:sc= 1.26 (180deg=0.667) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 70 MET CE :methyl -175:sc= -0.0297 (180deg=-0.0768) USER MOD Single : A 71 MET CE :methyl 166:sc= 0 (180deg=-0.125) USER MOD Single : A 74 CYS SG : rot 163:sc= 1.35 USER MOD Single : A 75 GLN : amide:sc= -0.0932 K(o=-0.093,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 2.487 -10.154 1.166 1.00 0.00 N ATOM 71 CA ILE A 6 1.622 -11.085 1.921 1.00 0.00 C ATOM 72 C ILE A 6 1.209 -10.521 3.283 1.00 0.00 C ATOM 73 O ILE A 6 0.077 -10.728 3.728 1.00 0.00 O ATOM 74 CB ILE A 6 2.257 -12.496 2.050 1.00 0.00 C ATOM 75 CG1 ILE A 6 3.088 -12.779 3.326 1.00 0.00 C ATOM 76 CG2 ILE A 6 3.137 -12.829 0.834 1.00 0.00 C ATOM 77 CD1 ILE A 6 2.228 -13.053 4.577 1.00 0.00 C ATOM 0 HA ILE A 6 0.708 -11.198 1.338 1.00 0.00 H new ATOM 0 HB ILE A 6 1.377 -13.136 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.734 -13.638 3.145 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.738 -11.926 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.566 -13.823 0.957 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.531 -12.805 -0.071 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.939 -12.095 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.878 -13.243 5.431 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.600 -12.186 4.784 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.597 -13.924 4.401 1.00 0.00 H new ATOM 89 N LEU A 7 2.132 -9.789 3.921 1.00 0.00 N ATOM 90 CA LEU A 7 1.994 -9.183 5.260 1.00 0.00 C ATOM 91 C LEU A 7 0.974 -8.029 5.295 1.00 0.00 C ATOM 92 O LEU A 7 0.723 -7.404 6.319 1.00 0.00 O ATOM 93 CB LEU A 7 3.361 -8.697 5.782 1.00 0.00 C ATOM 94 CG LEU A 7 4.514 -9.725 5.736 1.00 0.00 C ATOM 95 CD1 LEU A 7 5.352 -9.575 4.460 1.00 0.00 C ATOM 96 CD2 LEU A 7 5.453 -9.497 6.920 1.00 0.00 C ATOM 0 H LEU A 7 3.040 -9.592 3.501 1.00 0.00 H new ATOM 0 HA LEU A 7 1.613 -9.967 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.658 -7.823 5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.236 -8.368 6.814 1.00 0.00 H new ATOM 0 HG LEU A 7 4.063 -10.717 5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.153 -10.314 4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.717 -9.730 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 7 5.782 -8.574 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.265 -10.223 6.885 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.865 -8.489 6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.900 -9.616 7.851 1.00 0.00 H new ATOM 108 N ASP A 8 0.394 -7.767 4.129 1.00 0.00 N ATOM 109 CA ASP A 8 -0.627 -6.764 3.805 1.00 0.00 C ATOM 110 C ASP A 8 -2.038 -7.395 3.735 1.00 0.00 C ATOM 111 O ASP A 8 -3.034 -6.776 3.354 1.00 0.00 O ATOM 112 CB ASP A 8 -0.187 -6.169 2.469 1.00 0.00 C ATOM 113 CG ASP A 8 -0.936 -4.907 2.064 1.00 0.00 C ATOM 114 OD1 ASP A 8 -1.462 -4.174 2.927 1.00 0.00 O ATOM 115 OD2 ASP A 8 -1.139 -4.711 0.849 1.00 0.00 O ATOM 0 H ASP A 8 0.650 -8.304 3.300 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.706 -5.994 4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.878 -5.944 2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.318 -6.920 1.690 1.00 0.00 H new ATOM 120 N ILE A 9 -2.090 -8.675 4.102 1.00 0.00 N ATOM 121 CA ILE A 9 -3.274 -9.502 4.347 1.00 0.00 C ATOM 122 C ILE A 9 -3.144 -10.181 5.727 1.00 0.00 C ATOM 123 O ILE A 9 -2.094 -10.178 6.356 1.00 0.00 O ATOM 124 CB ILE A 9 -3.512 -10.549 3.226 1.00 0.00 C ATOM 125 CG1 ILE A 9 -2.754 -10.267 1.909 1.00 0.00 C ATOM 126 CG2 ILE A 9 -5.031 -10.658 2.971 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.027 -11.269 0.781 1.00 0.00 C ATOM 0 H ILE A 9 -1.232 -9.207 4.248 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.149 -8.851 4.341 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.103 -11.495 3.581 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.019 -9.269 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.684 -10.259 2.117 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.216 -11.390 2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.532 -10.973 3.886 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.418 -9.687 2.661 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.452 -10.989 -0.101 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.734 -12.268 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.090 -11.263 0.538 1.00 0.00 H new ATOM 139 N ARG A 10 -4.222 -10.805 6.211 1.00 0.00 N ATOM 140 CA ARG A 10 -4.376 -11.361 7.570 1.00 0.00 C ATOM 141 C ARG A 10 -3.368 -12.408 8.101 1.00 0.00 C ATOM 142 O ARG A 10 -3.591 -12.861 9.214 1.00 0.00 O ATOM 143 CB ARG A 10 -5.837 -11.837 7.718 1.00 0.00 C ATOM 144 CG ARG A 10 -6.368 -12.783 6.622 1.00 0.00 C ATOM 145 CD ARG A 10 -5.663 -14.147 6.504 1.00 0.00 C ATOM 146 NE ARG A 10 -6.395 -15.030 5.567 1.00 0.00 N ATOM 147 CZ ARG A 10 -7.525 -15.679 5.820 1.00 0.00 C ATOM 148 NH1 ARG A 10 -7.966 -15.881 7.027 1.00 0.00 N ATOM 149 NH2 ARG A 10 -8.259 -16.156 4.856 1.00 0.00 N ATOM 0 H ARG A 10 -5.056 -10.946 5.641 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.116 -10.531 8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.936 -12.340 8.680 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.480 -10.958 7.751 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.428 -12.959 6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.291 -12.273 5.662 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.640 -14.005 6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -5.603 -14.618 7.485 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.992 -15.151 4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.437 -15.535 7.828 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.840 -16.386 7.173 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.969 -16.034 3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -9.124 -16.652 5.071 1.00 0.00 H new ATOM 163 N GLN A 11 -2.370 -12.865 7.328 1.00 0.00 N ATOM 164 CA GLN A 11 -1.302 -13.881 7.641 1.00 0.00 C ATOM 165 C GLN A 11 -1.687 -15.171 8.377 1.00 0.00 C ATOM 166 O GLN A 11 -0.868 -15.970 8.814 1.00 0.00 O ATOM 167 CB GLN A 11 -0.136 -13.259 8.398 1.00 0.00 C ATOM 168 CG GLN A 11 0.143 -11.866 7.884 1.00 0.00 C ATOM 169 CD GLN A 11 1.588 -11.490 8.159 1.00 0.00 C ATOM 170 OE1 GLN A 11 2.484 -11.860 7.434 1.00 0.00 O ATOM 171 NE2 GLN A 11 1.887 -10.780 9.220 1.00 0.00 N ATOM 0 H GLN A 11 -2.263 -12.513 6.377 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.047 -14.199 6.630 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.364 -13.221 9.463 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.752 -13.880 8.284 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.056 -11.818 6.813 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.525 -11.152 8.365 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.147 -10.458 9.844 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.860 -10.549 9.422 1.00 0.00 H new ATOM 180 N GLY A 12 -2.979 -15.373 8.474 1.00 0.00 N ATOM 181 CA GLY A 12 -3.664 -16.354 9.299 1.00 0.00 C ATOM 182 C GLY A 12 -4.686 -17.130 8.482 1.00 0.00 C ATOM 183 O GLY A 12 -5.891 -16.970 8.693 1.00 0.00 O ATOM 0 H GLY A 12 -3.638 -14.811 7.935 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.938 -17.043 9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.161 -15.853 10.130 1.00 0.00 H new ATOM 187 N PRO A 13 -4.232 -17.957 7.528 1.00 0.00 N ATOM 188 CA PRO A 13 -5.019 -18.944 6.788 1.00 0.00 C ATOM 189 C PRO A 13 -5.338 -20.175 7.645 1.00 0.00 C ATOM 190 O PRO A 13 -5.217 -21.309 7.192 1.00 0.00 O ATOM 191 CB PRO A 13 -4.144 -19.286 5.589 1.00 0.00 C ATOM 192 CG PRO A 13 -2.733 -19.189 6.155 1.00 0.00 C ATOM 193 CD PRO A 13 -2.842 -18.014 7.110 1.00 0.00 C ATOM 0 HA PRO A 13 -5.995 -18.563 6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -4.357 -20.284 5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.297 -18.588 4.766 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.438 -20.104 6.669 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.994 -19.010 5.374 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.183 -18.148 7.968 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.545 -17.086 6.621 1.00 0.00 H new ATOM 201 N LYS A 14 -5.706 -19.935 8.910 1.00 0.00 N ATOM 202 CA LYS A 14 -5.916 -20.964 9.961 1.00 0.00 C ATOM 203 C LYS A 14 -6.718 -22.215 9.541 1.00 0.00 C ATOM 204 O LYS A 14 -6.615 -23.243 10.200 1.00 0.00 O ATOM 205 CB LYS A 14 -6.517 -20.322 11.219 1.00 0.00 C ATOM 206 CG LYS A 14 -5.734 -20.538 12.529 1.00 0.00 C ATOM 207 CD LYS A 14 -5.518 -21.991 12.991 1.00 0.00 C ATOM 208 CE LYS A 14 -6.792 -22.822 13.212 1.00 0.00 C ATOM 209 NZ LYS A 14 -7.661 -22.290 14.292 1.00 0.00 N ATOM 0 H LYS A 14 -5.874 -18.989 9.252 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.919 -21.353 10.168 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.609 -19.250 11.047 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.526 -20.711 11.354 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.756 -20.070 12.418 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -6.254 -20.005 13.325 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.900 -22.499 12.251 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.952 -21.975 13.922 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.360 -22.857 12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.511 -23.847 13.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.502 -22.894 14.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.134 -22.281 15.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.957 -21.322 14.054 1.00 0.00 H new ATOM 223 N GLU A 15 -7.537 -22.107 8.498 1.00 0.00 N ATOM 224 CA GLU A 15 -8.433 -23.140 7.964 1.00 0.00 C ATOM 225 C GLU A 15 -8.506 -23.099 6.418 1.00 0.00 C ATOM 226 O GLU A 15 -8.387 -24.169 5.814 1.00 0.00 O ATOM 227 CB GLU A 15 -9.837 -23.003 8.581 1.00 0.00 C ATOM 228 CG GLU A 15 -9.848 -23.171 10.105 1.00 0.00 C ATOM 229 CD GLU A 15 -11.244 -22.918 10.661 1.00 0.00 C ATOM 230 OE1 GLU A 15 -12.026 -23.898 10.736 1.00 0.00 O ATOM 231 OE2 GLU A 15 -11.504 -21.756 11.033 1.00 0.00 O ATOM 0 H GLU A 15 -7.600 -21.240 7.965 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.020 -24.110 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.244 -22.024 8.327 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.497 -23.748 8.135 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.523 -24.178 10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.139 -22.478 10.558 1.00 0.00 H new ATOM 238 N PRO A 16 -8.618 -21.921 5.751 1.00 0.00 N ATOM 239 CA PRO A 16 -8.465 -21.784 4.293 1.00 0.00 C ATOM 240 C PRO A 16 -7.003 -21.978 3.838 1.00 0.00 C ATOM 241 O PRO A 16 -6.360 -21.076 3.299 1.00 0.00 O ATOM 242 CB PRO A 16 -9.054 -20.412 3.932 1.00 0.00 C ATOM 243 CG PRO A 16 -8.869 -19.602 5.204 1.00 0.00 C ATOM 244 CD PRO A 16 -9.086 -20.644 6.293 1.00 0.00 C ATOM 0 HA PRO A 16 -9.000 -22.568 3.758 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.532 -19.960 3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.105 -20.487 3.653 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.876 -19.157 5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.589 -18.786 5.274 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.535 -20.381 7.196 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.139 -20.703 6.568 1.00 0.00 H new ATOM 252 N PHE A 17 -6.452 -23.164 4.123 1.00 0.00 N ATOM 253 CA PHE A 17 -5.066 -23.555 3.851 1.00 0.00 C ATOM 254 C PHE A 17 -4.775 -23.425 2.354 1.00 0.00 C ATOM 255 O PHE A 17 -3.891 -22.666 1.994 1.00 0.00 O ATOM 256 CB PHE A 17 -4.808 -24.992 4.352 1.00 0.00 C ATOM 257 CG PHE A 17 -3.481 -25.342 5.018 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.203 -24.902 6.327 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.589 -26.249 4.403 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.038 -25.335 6.994 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.437 -26.697 5.074 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.160 -26.236 6.371 1.00 0.00 C ATOM 0 H PHE A 17 -6.985 -23.910 4.570 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.390 -22.890 4.388 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.600 -25.235 5.060 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.928 -25.659 3.498 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.886 -24.229 6.823 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.795 -26.603 3.404 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.821 -24.972 7.988 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.767 -27.394 4.593 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.274 -26.574 6.888 1.00 0.00 H new ATOM 272 N ARG A 18 -5.541 -24.073 1.456 1.00 0.00 N ATOM 273 CA ARG A 18 -5.317 -24.029 0.005 1.00 0.00 C ATOM 274 C ARG A 18 -5.655 -22.650 -0.576 1.00 0.00 C ATOM 275 O ARG A 18 -4.924 -22.097 -1.395 1.00 0.00 O ATOM 276 CB ARG A 18 -6.004 -25.236 -0.670 1.00 0.00 C ATOM 277 CG ARG A 18 -7.510 -25.130 -0.934 1.00 0.00 C ATOM 278 CD ARG A 18 -7.776 -24.195 -2.124 1.00 0.00 C ATOM 279 NE ARG A 18 -8.463 -24.871 -3.239 1.00 0.00 N ATOM 280 CZ ARG A 18 -9.766 -24.883 -3.475 1.00 0.00 C ATOM 281 NH1 ARG A 18 -10.636 -24.275 -2.726 1.00 0.00 N ATOM 282 NH2 ARG A 18 -10.245 -25.525 -4.506 1.00 0.00 N ATOM 0 H ARG A 18 -6.340 -24.647 1.724 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.256 -24.142 -0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.506 -25.418 -1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.832 -26.114 -0.047 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.921 -26.118 -1.140 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.017 -24.753 -0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.380 -23.351 -1.789 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.829 -23.789 -2.480 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.874 -25.382 -3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.327 -23.753 -1.906 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.628 -24.320 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.615 -26.021 -5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.250 -25.530 -4.682 1.00 0.00 H new ATOM 296 N ASP A 19 -6.765 -22.089 -0.104 1.00 0.00 N ATOM 297 CA ASP A 19 -7.439 -20.885 -0.621 1.00 0.00 C ATOM 298 C ASP A 19 -6.644 -19.603 -0.369 1.00 0.00 C ATOM 299 O ASP A 19 -6.942 -18.549 -0.926 1.00 0.00 O ATOM 300 CB ASP A 19 -8.837 -20.762 0.013 1.00 0.00 C ATOM 301 CG ASP A 19 -9.498 -22.124 0.234 1.00 0.00 C ATOM 302 OD1 ASP A 19 -9.090 -22.815 1.196 1.00 0.00 O ATOM 303 OD2 ASP A 19 -10.247 -22.573 -0.660 1.00 0.00 O ATOM 0 H ASP A 19 -7.254 -22.482 0.700 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.520 -21.003 -1.702 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.756 -20.241 0.967 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.472 -20.153 -0.630 1.00 0.00 H new ATOM 308 N TYR A 20 -5.615 -19.713 0.465 1.00 0.00 N ATOM 309 CA TYR A 20 -4.693 -18.634 0.792 1.00 0.00 C ATOM 310 C TYR A 20 -3.231 -19.052 0.640 1.00 0.00 C ATOM 311 O TYR A 20 -2.431 -18.175 0.347 1.00 0.00 O ATOM 312 CB TYR A 20 -5.003 -18.084 2.187 1.00 0.00 C ATOM 313 CG TYR A 20 -4.111 -16.946 2.687 1.00 0.00 C ATOM 314 CD1 TYR A 20 -2.855 -17.240 3.252 1.00 0.00 C ATOM 315 CD2 TYR A 20 -4.547 -15.604 2.643 1.00 0.00 C ATOM 316 CE1 TYR A 20 -2.074 -16.230 3.838 1.00 0.00 C ATOM 317 CE2 TYR A 20 -3.748 -14.577 3.194 1.00 0.00 C ATOM 318 CZ TYR A 20 -2.512 -14.895 3.806 1.00 0.00 C ATOM 319 OH TYR A 20 -1.725 -13.950 4.385 1.00 0.00 O ATOM 0 H TYR A 20 -5.394 -20.584 0.947 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.842 -17.830 0.071 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.036 -17.736 2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.938 -18.906 2.900 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.487 -18.255 3.235 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -5.495 -15.361 2.186 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.137 -16.479 4.313 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.080 -13.550 3.148 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.591 -13.208 3.759 1.00 0.00 H new ATOM 329 N VAL A 21 -2.842 -20.332 0.744 1.00 0.00 N ATOM 330 CA VAL A 21 -1.443 -20.736 0.478 1.00 0.00 C ATOM 331 C VAL A 21 -0.993 -20.463 -0.938 1.00 0.00 C ATOM 332 O VAL A 21 0.135 -20.029 -1.139 1.00 0.00 O ATOM 333 CB VAL A 21 -1.172 -22.209 0.788 1.00 0.00 C ATOM 334 CG1 VAL A 21 -1.891 -23.204 -0.109 1.00 0.00 C ATOM 335 CG2 VAL A 21 0.296 -22.559 0.677 1.00 0.00 C ATOM 0 H VAL A 21 -3.462 -21.099 1.006 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.866 -20.111 1.159 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.549 -22.300 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.632 -24.219 0.193 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -2.968 -23.062 -0.020 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.589 -23.045 -1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.437 -23.615 0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.642 -22.359 -0.337 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.868 -21.955 1.382 1.00 0.00 H new ATOM 345 N ASP A 22 -1.878 -20.659 -1.905 1.00 0.00 N ATOM 346 CA ASP A 22 -1.618 -20.253 -3.282 1.00 0.00 C ATOM 347 C ASP A 22 -1.232 -18.775 -3.370 1.00 0.00 C ATOM 348 O ASP A 22 -0.173 -18.350 -3.830 1.00 0.00 O ATOM 349 CB ASP A 22 -2.928 -20.501 -4.007 1.00 0.00 C ATOM 350 CG ASP A 22 -2.792 -20.288 -5.501 1.00 0.00 C ATOM 351 OD1 ASP A 22 -1.914 -20.964 -6.071 1.00 0.00 O ATOM 352 OD2 ASP A 22 -3.538 -19.413 -6.018 1.00 0.00 O ATOM 0 H ASP A 22 -2.787 -21.099 -1.762 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.784 -20.807 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.263 -21.520 -3.814 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.694 -19.833 -3.613 1.00 0.00 H new ATOM 357 N ARG A 23 -2.141 -18.014 -2.778 1.00 0.00 N ATOM 358 CA ARG A 23 -2.148 -16.546 -2.680 1.00 0.00 C ATOM 359 C ARG A 23 -1.029 -15.971 -1.806 1.00 0.00 C ATOM 360 O ARG A 23 -0.675 -14.810 -1.974 1.00 0.00 O ATOM 361 CB ARG A 23 -3.531 -16.013 -2.242 1.00 0.00 C ATOM 362 CG ARG A 23 -4.727 -16.902 -2.600 1.00 0.00 C ATOM 363 CD ARG A 23 -4.781 -17.280 -4.077 1.00 0.00 C ATOM 364 NE ARG A 23 -5.845 -16.571 -4.778 1.00 0.00 N ATOM 365 CZ ARG A 23 -6.239 -16.872 -6.006 1.00 0.00 C ATOM 366 NH1 ARG A 23 -5.631 -17.783 -6.718 1.00 0.00 N ATOM 367 NH2 ARG A 23 -7.239 -16.248 -6.566 1.00 0.00 N ATOM 0 H ARG A 23 -2.953 -18.426 -2.319 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.943 -16.190 -3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.519 -15.868 -1.162 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -3.682 -15.032 -2.693 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.686 -17.812 -2.001 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.648 -16.385 -2.331 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.823 -17.054 -4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -4.936 -18.355 -4.172 1.00 0.00 H new ATOM 0 HE ARG A 23 -6.311 -15.802 -4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.831 -18.283 -6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -5.956 -17.994 -7.661 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -7.732 -15.514 -6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -7.528 -16.494 -7.513 1.00 0.00 H new ATOM 381 N PHE A 24 -0.461 -16.774 -0.913 1.00 0.00 N ATOM 382 CA PHE A 24 0.729 -16.487 -0.114 1.00 0.00 C ATOM 383 C PHE A 24 2.027 -16.812 -0.892 1.00 0.00 C ATOM 384 O PHE A 24 2.877 -15.935 -1.080 1.00 0.00 O ATOM 385 CB PHE A 24 0.563 -17.324 1.165 1.00 0.00 C ATOM 386 CG PHE A 24 1.737 -17.361 2.108 1.00 0.00 C ATOM 387 CD1 PHE A 24 2.107 -16.212 2.822 1.00 0.00 C ATOM 388 CD2 PHE A 24 2.430 -18.563 2.318 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.228 -16.241 3.665 1.00 0.00 C ATOM 390 CE2 PHE A 24 3.556 -18.582 3.157 1.00 0.00 C ATOM 391 CZ PHE A 24 4.005 -17.392 3.781 1.00 0.00 C ATOM 0 H PHE A 24 -0.841 -17.700 -0.714 1.00 0.00 H new ATOM 0 HA PHE A 24 0.822 -15.428 0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.300 -16.943 1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 24 0.329 -18.348 0.873 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.529 -15.305 2.723 1.00 0.00 H new ATOM 0 HD2 PHE A 24 2.098 -19.471 1.836 1.00 0.00 H new ATOM 0 HE1 PHE A 24 3.492 -15.360 4.231 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.083 -19.509 3.328 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.931 -17.377 4.336 1.00 0.00 H new ATOM 401 N TYR A 25 2.145 -18.028 -1.448 1.00 0.00 N ATOM 402 CA TYR A 25 3.243 -18.402 -2.357 1.00 0.00 C ATOM 403 C TYR A 25 3.360 -17.491 -3.591 1.00 0.00 C ATOM 404 O TYR A 25 4.475 -17.309 -4.069 1.00 0.00 O ATOM 405 CB TYR A 25 3.200 -19.897 -2.723 1.00 0.00 C ATOM 406 CG TYR A 25 3.965 -20.840 -1.790 1.00 0.00 C ATOM 407 CD1 TYR A 25 4.043 -20.615 -0.396 1.00 0.00 C ATOM 408 CD2 TYR A 25 4.601 -21.979 -2.332 1.00 0.00 C ATOM 409 CE1 TYR A 25 4.688 -21.544 0.442 1.00 0.00 C ATOM 410 CE2 TYR A 25 5.261 -22.901 -1.494 1.00 0.00 C ATOM 411 CZ TYR A 25 5.287 -22.698 -0.098 1.00 0.00 C ATOM 412 OH TYR A 25 5.873 -23.626 0.704 1.00 0.00 O ATOM 0 H TYR A 25 1.480 -18.783 -1.280 1.00 0.00 H new ATOM 0 HA TYR A 25 4.164 -18.237 -1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.157 -20.214 -2.752 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.597 -20.015 -3.731 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.605 -19.724 0.029 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.581 -22.145 -3.399 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.724 -21.370 1.507 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.748 -23.765 -1.922 1.00 0.00 H new ATOM 0 HH TYR A 25 6.698 -23.947 0.284 1.00 0.00 H new ATOM 422 N LYS A 26 2.284 -16.823 -4.027 1.00 0.00 N ATOM 423 CA LYS A 26 2.243 -15.755 -5.059 1.00 0.00 C ATOM 424 C LYS A 26 3.315 -14.656 -4.928 1.00 0.00 C ATOM 425 O LYS A 26 3.589 -13.945 -5.898 1.00 0.00 O ATOM 426 CB LYS A 26 0.784 -15.262 -5.174 1.00 0.00 C ATOM 427 CG LYS A 26 0.491 -13.800 -5.565 1.00 0.00 C ATOM 428 CD LYS A 26 0.554 -12.791 -4.394 1.00 0.00 C ATOM 429 CE LYS A 26 1.775 -11.884 -4.261 1.00 0.00 C ATOM 430 NZ LYS A 26 2.296 -11.323 -5.526 1.00 0.00 N ATOM 0 H LYS A 26 1.356 -17.019 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 26 2.544 -16.181 -6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.284 -15.899 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.305 -15.442 -4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.205 -13.493 -6.330 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.500 -13.751 -6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.325 -12.150 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.463 -13.357 -3.467 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.521 -11.059 -3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.573 -12.448 -3.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.864 -10.476 -5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.889 -12.032 -6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.501 -11.065 -6.145 1.00 0.00 H new ATOM 444 N THR A 27 3.923 -14.511 -3.748 1.00 0.00 N ATOM 445 CA THR A 27 5.145 -13.739 -3.520 1.00 0.00 C ATOM 446 C THR A 27 6.125 -14.576 -2.681 1.00 0.00 C ATOM 447 O THR A 27 7.292 -14.664 -3.062 1.00 0.00 O ATOM 448 CB THR A 27 4.800 -12.365 -2.920 1.00 0.00 C ATOM 449 OG1 THR A 27 4.688 -11.392 -3.940 1.00 0.00 O ATOM 450 CG2 THR A 27 5.775 -11.847 -1.901 1.00 0.00 C ATOM 0 H THR A 27 3.565 -14.943 -2.896 1.00 0.00 H new ATOM 0 HA THR A 27 5.654 -13.524 -4.460 1.00 0.00 H new ATOM 0 HB THR A 27 3.854 -12.531 -2.404 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.467 -10.524 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.442 -10.874 -1.540 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.832 -12.544 -1.065 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.760 -11.747 -2.358 1.00 0.00 H new ATOM 458 N LEU A 28 5.657 -15.299 -1.645 1.00 0.00 N ATOM 459 CA LEU A 28 6.541 -16.024 -0.707 1.00 0.00 C ATOM 460 C LEU A 28 7.614 -16.901 -1.369 1.00 0.00 C ATOM 461 O LEU A 28 8.757 -16.919 -0.914 1.00 0.00 O ATOM 462 CB LEU A 28 5.718 -16.847 0.300 1.00 0.00 C ATOM 463 CG LEU A 28 6.541 -17.539 1.398 1.00 0.00 C ATOM 464 CD1 LEU A 28 7.162 -18.886 0.996 1.00 0.00 C ATOM 465 CD2 LEU A 28 7.524 -16.612 2.097 1.00 0.00 C ATOM 0 H LEU A 28 4.664 -15.398 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 28 7.092 -15.242 -0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.988 -16.190 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.157 -17.606 -0.246 1.00 0.00 H new ATOM 0 HG LEU A 28 5.795 -17.804 2.147 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.722 -19.294 1.837 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.371 -19.582 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.834 -18.739 0.150 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.070 -17.168 2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.227 -16.211 1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.980 -15.792 2.566 1.00 0.00 H new ATOM 477 N ARG A 29 7.224 -17.657 -2.408 1.00 0.00 N ATOM 478 CA ARG A 29 7.943 -18.757 -3.115 1.00 0.00 C ATOM 479 C ARG A 29 9.434 -18.572 -3.455 1.00 0.00 C ATOM 480 O ARG A 29 10.036 -19.500 -3.992 1.00 0.00 O ATOM 481 CB ARG A 29 7.139 -19.119 -4.376 1.00 0.00 C ATOM 482 CG ARG A 29 7.074 -17.956 -5.376 1.00 0.00 C ATOM 483 CD ARG A 29 8.118 -18.010 -6.505 1.00 0.00 C ATOM 484 NE ARG A 29 7.857 -19.117 -7.458 1.00 0.00 N ATOM 485 CZ ARG A 29 7.861 -19.080 -8.780 1.00 0.00 C ATOM 486 NH1 ARG A 29 8.109 -17.986 -9.443 1.00 0.00 N ATOM 487 NH2 ARG A 29 7.618 -20.158 -9.471 1.00 0.00 N ATOM 0 H ARG A 29 6.305 -17.507 -2.825 1.00 0.00 H new ATOM 0 HA ARG A 29 7.990 -19.562 -2.382 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.593 -19.985 -4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.127 -19.407 -4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.080 -17.935 -5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.199 -17.020 -4.831 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.118 -17.062 -7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.111 -18.131 -6.073 1.00 0.00 H new ATOM 0 HE ARG A 29 7.647 -20.023 -7.040 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.309 -17.120 -8.942 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.103 -17.995 -10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.423 -21.037 -8.992 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.623 -20.122 -10.490 1.00 0.00 H new ATOM 501 N ALA A 30 9.978 -17.376 -3.258 1.00 0.00 N ATOM 502 CA ALA A 30 11.405 -17.039 -3.265 1.00 0.00 C ATOM 503 C ALA A 30 11.707 -15.729 -2.489 1.00 0.00 C ATOM 504 O ALA A 30 12.864 -15.340 -2.416 1.00 0.00 O ATOM 505 CB ALA A 30 11.892 -16.950 -4.721 1.00 0.00 C ATOM 0 H ALA A 30 9.397 -16.557 -3.076 1.00 0.00 H new ATOM 0 HA ALA A 30 11.948 -17.829 -2.746 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.953 -16.700 -4.735 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.739 -17.909 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.330 -16.178 -5.246 1.00 0.00 H new ATOM 511 N GLU A 31 10.707 -15.063 -1.891 1.00 0.00 N ATOM 512 CA GLU A 31 10.841 -13.917 -0.977 1.00 0.00 C ATOM 513 C GLU A 31 11.608 -14.285 0.310 1.00 0.00 C ATOM 514 O GLU A 31 12.293 -13.432 0.872 1.00 0.00 O ATOM 515 CB GLU A 31 9.406 -13.396 -0.707 1.00 0.00 C ATOM 516 CG GLU A 31 9.141 -12.650 0.608 1.00 0.00 C ATOM 517 CD GLU A 31 7.649 -12.295 0.789 1.00 0.00 C ATOM 518 OE1 GLU A 31 6.840 -13.227 1.012 1.00 0.00 O ATOM 519 OE2 GLU A 31 7.281 -11.104 0.665 1.00 0.00 O ATOM 0 H GLU A 31 9.732 -15.323 -2.040 1.00 0.00 H new ATOM 0 HA GLU A 31 11.443 -13.127 -1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.133 -12.732 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.729 -14.249 -0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.470 -13.266 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 31 9.735 -11.736 0.631 1.00 0.00 H new ATOM 526 N GLN A 32 11.558 -15.562 0.724 1.00 0.00 N ATOM 527 CA GLN A 32 12.285 -16.080 1.895 1.00 0.00 C ATOM 528 C GLN A 32 13.206 -17.266 1.555 1.00 0.00 C ATOM 529 O GLN A 32 14.311 -17.381 2.076 1.00 0.00 O ATOM 530 CB GLN A 32 11.267 -16.383 3.016 1.00 0.00 C ATOM 531 CG GLN A 32 10.644 -17.793 3.058 1.00 0.00 C ATOM 532 CD GLN A 32 11.402 -18.803 3.915 1.00 0.00 C ATOM 533 OE1 GLN A 32 12.057 -18.483 4.893 1.00 0.00 O ATOM 534 NE2 GLN A 32 11.252 -20.082 3.666 1.00 0.00 N ATOM 0 H GLN A 32 11.004 -16.274 0.248 1.00 0.00 H new ATOM 0 HA GLN A 32 12.974 -15.316 2.256 1.00 0.00 H new ATOM 0 HB2 GLN A 32 11.759 -16.205 3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 32 10.455 -15.660 2.936 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.624 -17.713 3.433 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.580 -18.177 2.040 1.00 0.00 H new ATOM 0 HE21 GLN A 32 10.710 -20.384 2.856 1.00 0.00 H new ATOM 0 HE22 GLN A 32 11.677 -20.775 4.282 1.00 0.00 H new ATOM 543 N ALA A 33 12.769 -18.127 0.634 1.00 0.00 N ATOM 544 CA ALA A 33 13.528 -19.232 0.062 1.00 0.00 C ATOM 545 C ALA A 33 12.786 -19.805 -1.146 1.00 0.00 C ATOM 546 O ALA A 33 11.576 -19.609 -1.269 1.00 0.00 O ATOM 547 CB ALA A 33 13.615 -20.356 1.086 1.00 0.00 C ATOM 0 H ALA A 33 11.826 -18.066 0.249 1.00 0.00 H new ATOM 0 HA ALA A 33 14.513 -18.864 -0.223 1.00 0.00 H new ATOM 0 HB1 ALA A 33 14.181 -21.187 0.666 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.115 -19.992 1.984 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.611 -20.694 1.342 1.00 0.00 H new ATOM 553 N SER A 34 13.480 -20.587 -1.969 1.00 0.00 N ATOM 554 CA SER A 34 12.855 -21.371 -3.035 1.00 0.00 C ATOM 555 C SER A 34 11.735 -22.277 -2.512 1.00 0.00 C ATOM 556 O SER A 34 11.928 -23.040 -1.569 1.00 0.00 O ATOM 557 CB SER A 34 13.905 -22.240 -3.733 1.00 0.00 C ATOM 558 OG SER A 34 14.905 -21.410 -4.287 1.00 0.00 O ATOM 0 H SER A 34 14.493 -20.696 -1.917 1.00 0.00 H new ATOM 0 HA SER A 34 12.419 -20.660 -3.736 1.00 0.00 H new ATOM 0 HB2 SER A 34 14.348 -22.937 -3.022 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.437 -22.837 -4.516 1.00 0.00 H new ATOM 0 HG SER A 34 15.580 -21.964 -4.733 1.00 0.00 H new ATOM 564 N GLN A 35 10.584 -22.218 -3.182 1.00 0.00 N ATOM 565 CA GLN A 35 9.440 -23.097 -3.075 1.00 0.00 C ATOM 566 C GLN A 35 9.834 -24.580 -3.079 1.00 0.00 C ATOM 567 O GLN A 35 10.298 -25.110 -4.089 1.00 0.00 O ATOM 568 CB GLN A 35 8.543 -22.754 -4.269 1.00 0.00 C ATOM 569 CG GLN A 35 9.282 -22.517 -5.610 1.00 0.00 C ATOM 570 CD GLN A 35 8.460 -22.933 -6.815 1.00 0.00 C ATOM 571 OE1 GLN A 35 7.910 -22.111 -7.537 1.00 0.00 O ATOM 572 NE2 GLN A 35 8.344 -24.218 -7.067 1.00 0.00 N ATOM 0 H GLN A 35 10.424 -21.485 -3.873 1.00 0.00 H new ATOM 0 HA GLN A 35 8.927 -22.947 -2.125 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.826 -23.563 -4.407 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.971 -21.859 -4.026 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.538 -21.461 -5.697 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.220 -23.073 -5.606 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.804 -24.900 -6.463 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.794 -24.533 -7.866 1.00 0.00 H new ATOM 581 N GLU A 36 9.608 -25.246 -1.950 1.00 0.00 N ATOM 582 CA GLU A 36 10.102 -26.592 -1.661 1.00 0.00 C ATOM 583 C GLU A 36 9.325 -27.198 -0.479 1.00 0.00 C ATOM 584 O GLU A 36 8.573 -26.505 0.203 1.00 0.00 O ATOM 585 CB GLU A 36 11.597 -26.467 -1.294 1.00 0.00 C ATOM 586 CG GLU A 36 12.397 -27.754 -1.526 1.00 0.00 C ATOM 587 CD GLU A 36 13.781 -27.701 -0.876 1.00 0.00 C ATOM 588 OE1 GLU A 36 14.385 -26.619 -0.712 1.00 0.00 O ATOM 589 OE2 GLU A 36 14.266 -28.758 -0.417 1.00 0.00 O ATOM 0 H GLU A 36 9.059 -24.853 -1.186 1.00 0.00 H new ATOM 0 HA GLU A 36 9.968 -27.242 -2.526 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.040 -25.663 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.682 -26.180 -0.246 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.842 -28.602 -1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 36 12.507 -27.923 -2.597 1.00 0.00 H new ATOM 596 N VAL A 37 9.533 -28.490 -0.202 1.00 0.00 N ATOM 597 CA VAL A 37 9.080 -29.135 1.047 1.00 0.00 C ATOM 598 C VAL A 37 9.730 -28.533 2.298 1.00 0.00 C ATOM 599 O VAL A 37 9.138 -28.485 3.369 1.00 0.00 O ATOM 600 CB VAL A 37 9.371 -30.641 0.983 1.00 0.00 C ATOM 601 CG1 VAL A 37 10.859 -31.022 0.976 1.00 0.00 C ATOM 602 CG2 VAL A 37 8.677 -31.385 2.126 1.00 0.00 C ATOM 0 H VAL A 37 10.021 -29.124 -0.835 1.00 0.00 H new ATOM 0 HA VAL A 37 8.008 -28.958 1.130 1.00 0.00 H new ATOM 0 HB VAL A 37 8.970 -30.945 0.016 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.957 -32.107 0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 37 11.345 -30.576 0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.333 -30.654 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.900 -32.450 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.036 -31.001 3.081 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.600 -31.235 2.057 1.00 0.00 H new ATOM 612 N LYS A 38 10.972 -28.062 2.155 1.00 0.00 N ATOM 613 CA LYS A 38 11.808 -27.441 3.187 1.00 0.00 C ATOM 614 C LYS A 38 11.313 -26.070 3.703 1.00 0.00 C ATOM 615 O LYS A 38 12.124 -25.264 4.157 1.00 0.00 O ATOM 616 CB LYS A 38 13.239 -27.368 2.609 1.00 0.00 C ATOM 617 CG LYS A 38 14.259 -27.631 3.712 1.00 0.00 C ATOM 618 CD LYS A 38 15.717 -27.310 3.344 1.00 0.00 C ATOM 619 CE LYS A 38 16.306 -28.219 2.252 1.00 0.00 C ATOM 620 NZ LYS A 38 16.307 -27.586 0.912 1.00 0.00 N ATOM 0 H LYS A 38 11.452 -28.107 1.256 1.00 0.00 H new ATOM 0 HA LYS A 38 11.765 -28.057 4.085 1.00 0.00 H new ATOM 0 HB2 LYS A 38 13.356 -28.101 1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.413 -26.387 2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.984 -27.043 4.587 1.00 0.00 H new ATOM 0 HG3 LYS A 38 14.196 -28.680 4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.776 -26.274 3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 38 16.333 -27.391 4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.327 -28.487 2.522 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.733 -29.146 2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.949 -28.263 0.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 15.696 -26.744 0.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.277 -27.306 0.661 1.00 0.00 H new ATOM 634 N ASN A 39 10.022 -25.754 3.615 1.00 0.00 N ATOM 635 CA ASN A 39 9.526 -24.402 3.863 1.00 0.00 C ATOM 636 C ASN A 39 9.328 -24.102 5.368 1.00 0.00 C ATOM 637 O ASN A 39 8.299 -24.395 5.964 1.00 0.00 O ATOM 638 CB ASN A 39 8.337 -24.122 2.926 1.00 0.00 C ATOM 639 CG ASN A 39 6.975 -24.472 3.455 1.00 0.00 C ATOM 640 OD1 ASN A 39 6.625 -25.624 3.596 1.00 0.00 O ATOM 641 ND2 ASN A 39 6.152 -23.467 3.648 1.00 0.00 N ATOM 0 H ASN A 39 9.294 -26.425 3.371 1.00 0.00 H new ATOM 0 HA ASN A 39 10.282 -23.662 3.601 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.343 -23.062 2.673 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.495 -24.672 1.999 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.187 -23.644 3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 39 6.478 -22.509 3.521 1.00 0.00 H new ATOM 648 N ALA A 40 10.343 -23.490 5.981 1.00 0.00 N ATOM 649 CA ALA A 40 10.335 -23.035 7.376 1.00 0.00 C ATOM 650 C ALA A 40 11.082 -21.689 7.516 1.00 0.00 C ATOM 651 O ALA A 40 11.441 -21.087 6.506 1.00 0.00 O ATOM 652 CB ALA A 40 10.948 -24.149 8.240 1.00 0.00 C ATOM 0 H ALA A 40 11.223 -23.290 5.506 1.00 0.00 H new ATOM 0 HA ALA A 40 9.317 -22.847 7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.955 -23.837 9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.355 -25.058 8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.969 -24.343 7.913 1.00 0.00 H new ATOM 658 N MET A 41 11.316 -21.232 8.758 1.00 0.00 N ATOM 659 CA MET A 41 12.105 -20.037 9.163 1.00 0.00 C ATOM 660 C MET A 41 11.345 -18.694 9.100 1.00 0.00 C ATOM 661 O MET A 41 11.884 -17.660 9.482 1.00 0.00 O ATOM 662 CB MET A 41 13.462 -19.938 8.430 1.00 0.00 C ATOM 663 CG MET A 41 14.333 -21.192 8.604 1.00 0.00 C ATOM 664 SD MET A 41 15.859 -21.219 7.618 1.00 0.00 S ATOM 665 CE MET A 41 16.729 -19.765 8.269 1.00 0.00 C ATOM 0 H MET A 41 10.935 -21.717 9.570 1.00 0.00 H new ATOM 0 HA MET A 41 12.299 -20.213 10.221 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.283 -19.771 7.368 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.007 -19.070 8.802 1.00 0.00 H new ATOM 0 HG2 MET A 41 14.598 -21.287 9.657 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.737 -22.067 8.345 1.00 0.00 H new ATOM 0 HE1 MET A 41 17.734 -19.724 7.849 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.184 -18.862 7.995 1.00 0.00 H new ATOM 0 HE3 MET A 41 16.792 -19.835 9.355 1.00 0.00 H new ATOM 675 N THR A 42 10.088 -18.718 8.661 1.00 0.00 N ATOM 676 CA THR A 42 9.195 -17.568 8.422 1.00 0.00 C ATOM 677 C THR A 42 7.762 -17.919 8.787 1.00 0.00 C ATOM 678 O THR A 42 7.429 -19.071 9.061 1.00 0.00 O ATOM 679 CB THR A 42 9.175 -17.180 6.916 1.00 0.00 C ATOM 680 OG1 THR A 42 9.507 -18.286 6.111 1.00 0.00 O ATOM 681 CG2 THR A 42 10.230 -16.122 6.642 1.00 0.00 C ATOM 0 H THR A 42 9.626 -19.602 8.445 1.00 0.00 H new ATOM 0 HA THR A 42 9.573 -16.748 9.032 1.00 0.00 H new ATOM 0 HB THR A 42 8.172 -16.820 6.686 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.452 -18.512 6.239 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.211 -15.854 5.586 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.023 -15.237 7.244 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.214 -16.514 6.899 1.00 0.00 H new ATOM 689 N GLU A 43 6.887 -16.925 8.664 1.00 0.00 N ATOM 690 CA GLU A 43 5.420 -17.028 8.618 1.00 0.00 C ATOM 691 C GLU A 43 4.903 -17.940 7.482 1.00 0.00 C ATOM 692 O GLU A 43 3.713 -18.030 7.222 1.00 0.00 O ATOM 693 CB GLU A 43 4.825 -15.622 8.445 1.00 0.00 C ATOM 694 CG GLU A 43 5.405 -14.811 7.271 1.00 0.00 C ATOM 695 CD GLU A 43 6.481 -13.836 7.771 1.00 0.00 C ATOM 696 OE1 GLU A 43 7.614 -14.345 7.964 1.00 0.00 O ATOM 697 OE2 GLU A 43 6.166 -12.646 8.015 1.00 0.00 O ATOM 0 H GLU A 43 7.199 -15.957 8.588 1.00 0.00 H new ATOM 0 HA GLU A 43 5.103 -17.482 9.557 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.748 -15.714 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.981 -15.062 9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.834 -15.487 6.531 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.608 -14.258 6.774 1.00 0.00 H new ATOM 704 N THR A 44 5.807 -18.579 6.752 1.00 0.00 N ATOM 705 CA THR A 44 5.636 -19.658 5.759 1.00 0.00 C ATOM 706 C THR A 44 4.839 -20.911 6.181 1.00 0.00 C ATOM 707 O THR A 44 5.231 -22.043 5.936 1.00 0.00 O ATOM 708 CB THR A 44 6.958 -19.920 5.007 1.00 0.00 C ATOM 709 OG1 THR A 44 6.708 -20.458 3.727 1.00 0.00 O ATOM 710 CG2 THR A 44 7.963 -20.841 5.689 1.00 0.00 C ATOM 0 H THR A 44 6.793 -18.334 6.844 1.00 0.00 H new ATOM 0 HA THR A 44 4.919 -19.264 5.038 1.00 0.00 H new ATOM 0 HB THR A 44 7.413 -18.930 4.974 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.532 -20.849 3.370 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.847 -20.944 5.060 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.250 -20.418 6.652 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.512 -21.821 5.844 1.00 0.00 H new ATOM 718 N LEU A 45 3.662 -20.737 6.779 1.00 0.00 N ATOM 719 CA LEU A 45 2.865 -21.791 7.418 1.00 0.00 C ATOM 720 C LEU A 45 2.417 -22.989 6.544 1.00 0.00 C ATOM 721 O LEU A 45 1.815 -23.911 7.075 1.00 0.00 O ATOM 722 CB LEU A 45 1.609 -21.197 8.110 1.00 0.00 C ATOM 723 CG LEU A 45 1.286 -19.693 8.132 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.922 -19.107 6.752 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.065 -19.492 9.033 1.00 0.00 C ATOM 0 H LEU A 45 3.216 -19.821 6.836 1.00 0.00 H new ATOM 0 HA LEU A 45 3.577 -22.211 8.128 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.748 -21.690 7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.651 -21.518 9.151 1.00 0.00 H new ATOM 0 HG LEU A 45 2.184 -19.184 8.481 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.708 -18.043 6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.758 -19.245 6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.043 -19.618 6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.190 -18.433 9.069 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.779 -20.055 8.633 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.293 -19.845 10.039 1.00 0.00 H new ATOM 737 N LEU A 46 2.569 -22.965 5.220 1.00 0.00 N ATOM 738 CA LEU A 46 1.906 -23.923 4.320 1.00 0.00 C ATOM 739 C LEU A 46 2.518 -23.955 2.910 1.00 0.00 C ATOM 740 O LEU A 46 3.353 -23.120 2.574 1.00 0.00 O ATOM 741 CB LEU A 46 0.378 -23.638 4.292 1.00 0.00 C ATOM 742 CG LEU A 46 -0.147 -22.230 4.659 1.00 0.00 C ATOM 743 CD1 LEU A 46 0.380 -21.082 3.798 1.00 0.00 C ATOM 744 CD2 LEU A 46 -1.676 -22.234 4.650 1.00 0.00 C ATOM 0 H LEU A 46 3.154 -22.283 4.736 1.00 0.00 H new ATOM 0 HA LEU A 46 2.072 -24.924 4.719 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.023 -23.866 3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.098 -24.349 4.967 1.00 0.00 H new ATOM 0 HG LEU A 46 0.244 -22.030 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.052 -20.142 4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.466 -21.034 3.880 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.102 -21.250 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.044 -21.241 4.909 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.033 -22.506 3.657 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.042 -22.958 5.378 1.00 0.00 H new ATOM 756 N VAL A 47 2.080 -24.911 2.084 1.00 0.00 N ATOM 757 CA VAL A 47 2.584 -25.244 0.747 1.00 0.00 C ATOM 758 C VAL A 47 1.403 -25.425 -0.215 1.00 0.00 C ATOM 759 O VAL A 47 0.348 -25.937 0.162 1.00 0.00 O ATOM 760 CB VAL A 47 3.363 -26.573 0.793 1.00 0.00 C ATOM 761 CG1 VAL A 47 4.380 -26.673 -0.349 1.00 0.00 C ATOM 762 CG2 VAL A 47 4.055 -26.800 2.131 1.00 0.00 C ATOM 0 H VAL A 47 1.306 -25.518 2.353 1.00 0.00 H new ATOM 0 HA VAL A 47 3.235 -24.437 0.411 1.00 0.00 H new ATOM 0 HB VAL A 47 2.619 -27.360 0.668 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.909 -27.624 -0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.860 -26.613 -1.305 1.00 0.00 H new ATOM 0 HG13 VAL A 47 5.095 -25.854 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.589 -27.750 2.108 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.762 -25.991 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.310 -26.821 2.927 1.00 0.00 H new ATOM 772 N GLN A 48 1.584 -25.027 -1.473 1.00 0.00 N ATOM 773 CA GLN A 48 0.605 -25.188 -2.565 1.00 0.00 C ATOM 774 C GLN A 48 0.072 -26.622 -2.764 1.00 0.00 C ATOM 775 O GLN A 48 -0.978 -26.802 -3.369 1.00 0.00 O ATOM 776 CB GLN A 48 1.186 -24.616 -3.868 1.00 0.00 C ATOM 777 CG GLN A 48 1.162 -23.082 -3.844 1.00 0.00 C ATOM 778 CD GLN A 48 1.775 -22.477 -5.105 1.00 0.00 C ATOM 779 OE1 GLN A 48 2.968 -22.605 -5.340 1.00 0.00 O ATOM 780 NE2 GLN A 48 1.029 -21.800 -5.955 1.00 0.00 N ATOM 0 H GLN A 48 2.442 -24.568 -1.778 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.276 -24.621 -2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.209 -24.967 -4.001 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.611 -24.981 -4.719 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.133 -22.738 -3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.707 -22.725 -2.970 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.032 -21.682 -5.777 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.449 -21.394 -6.791 1.00 0.00 H new ATOM 789 N ASN A 49 0.742 -27.639 -2.208 1.00 0.00 N ATOM 790 CA ASN A 49 0.249 -29.006 -2.130 1.00 0.00 C ATOM 791 C ASN A 49 -1.041 -29.185 -1.290 1.00 0.00 C ATOM 792 O ASN A 49 -1.571 -30.289 -1.249 1.00 0.00 O ATOM 793 CB ASN A 49 1.417 -29.889 -1.647 1.00 0.00 C ATOM 794 CG ASN A 49 1.783 -29.740 -0.174 1.00 0.00 C ATOM 795 OD1 ASN A 49 0.963 -29.500 0.689 1.00 0.00 O ATOM 796 ND2 ASN A 49 3.048 -29.852 0.169 1.00 0.00 N ATOM 0 H ASN A 49 1.666 -27.523 -1.791 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.078 -29.317 -3.122 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.165 -30.932 -1.838 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.297 -29.659 -2.248 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.324 -29.738 1.144 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.753 -30.053 -0.540 1.00 0.00 H new ATOM 803 N ALA A 50 -1.550 -28.144 -0.619 1.00 0.00 N ATOM 804 CA ALA A 50 -2.758 -28.198 0.202 1.00 0.00 C ATOM 805 C ALA A 50 -3.967 -28.835 -0.525 1.00 0.00 C ATOM 806 O ALA A 50 -4.537 -28.243 -1.441 1.00 0.00 O ATOM 807 CB ALA A 50 -3.053 -26.786 0.698 1.00 0.00 C ATOM 0 H ALA A 50 -1.120 -27.219 -0.635 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.580 -28.860 1.050 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.952 -26.797 1.315 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.212 -26.425 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.207 -26.125 -0.155 1.00 0.00 H new ATOM 813 N ASN A 51 -4.407 -30.010 -0.067 1.00 0.00 N ATOM 814 CA ASN A 51 -5.350 -30.910 -0.744 1.00 0.00 C ATOM 815 C ASN A 51 -6.565 -31.196 0.175 1.00 0.00 C ATOM 816 O ASN A 51 -6.757 -30.446 1.139 1.00 0.00 O ATOM 817 CB ASN A 51 -4.535 -32.146 -1.194 1.00 0.00 C ATOM 818 CG ASN A 51 -4.380 -33.220 -0.141 1.00 0.00 C ATOM 819 OD1 ASN A 51 -4.162 -32.948 1.030 1.00 0.00 O ATOM 820 ND2 ASN A 51 -4.521 -34.464 -0.532 1.00 0.00 N ATOM 0 H ASN A 51 -4.100 -30.380 0.833 1.00 0.00 H new ATOM 0 HA ASN A 51 -5.800 -30.476 -1.637 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.016 -32.582 -2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.544 -31.817 -1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.449 -35.223 0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -4.703 -34.673 -1.514 1.00 0.00 H new ATOM 827 N PRO A 52 -7.467 -32.180 -0.056 1.00 0.00 N ATOM 828 CA PRO A 52 -8.492 -32.489 0.951 1.00 0.00 C ATOM 829 C PRO A 52 -7.880 -32.890 2.304 1.00 0.00 C ATOM 830 O PRO A 52 -8.293 -32.353 3.338 1.00 0.00 O ATOM 831 CB PRO A 52 -9.378 -33.590 0.351 1.00 0.00 C ATOM 832 CG PRO A 52 -8.523 -34.205 -0.752 1.00 0.00 C ATOM 833 CD PRO A 52 -7.659 -33.038 -1.223 1.00 0.00 C ATOM 0 HA PRO A 52 -9.089 -31.605 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.653 -34.332 1.101 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.306 -33.180 -0.047 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -7.916 -35.029 -0.377 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.136 -34.603 -1.561 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.703 -33.392 -1.608 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.147 -32.493 -2.031 1.00 0.00 H new ATOM 841 N ASP A 53 -6.862 -33.750 2.279 1.00 0.00 N ATOM 842 CA ASP A 53 -6.330 -34.433 3.462 1.00 0.00 C ATOM 843 C ASP A 53 -5.772 -33.500 4.534 1.00 0.00 C ATOM 844 O ASP A 53 -6.363 -33.397 5.612 1.00 0.00 O ATOM 845 CB ASP A 53 -5.250 -35.468 3.087 1.00 0.00 C ATOM 846 CG ASP A 53 -5.533 -36.312 1.853 1.00 0.00 C ATOM 847 OD1 ASP A 53 -6.709 -36.557 1.535 1.00 0.00 O ATOM 848 OD2 ASP A 53 -4.546 -36.657 1.167 1.00 0.00 O ATOM 0 H ASP A 53 -6.373 -33.998 1.419 1.00 0.00 H new ATOM 0 HA ASP A 53 -7.198 -34.934 3.892 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.308 -34.941 2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.107 -36.137 3.935 1.00 0.00 H new ATOM 853 N CYS A 54 -4.669 -32.800 4.240 1.00 0.00 N ATOM 854 CA CYS A 54 -3.903 -32.044 5.233 1.00 0.00 C ATOM 855 C CYS A 54 -4.799 -31.113 6.033 1.00 0.00 C ATOM 856 O CYS A 54 -4.980 -31.256 7.234 1.00 0.00 O ATOM 857 CB CYS A 54 -2.756 -31.276 4.556 1.00 0.00 C ATOM 858 SG CYS A 54 -3.258 -30.391 3.051 1.00 0.00 S ATOM 0 H CYS A 54 -4.282 -32.743 3.298 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.467 -32.753 5.937 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.341 -30.561 5.266 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.959 -31.977 4.306 1.00 0.00 H new ATOM 0 HG CYS A 54 -2.435 -30.675 2.086 1.00 0.00 H new ATOM 864 N LYS A 55 -5.476 -30.240 5.310 1.00 0.00 N ATOM 865 CA LYS A 55 -6.538 -29.361 5.817 1.00 0.00 C ATOM 866 C LYS A 55 -7.444 -30.045 6.836 1.00 0.00 C ATOM 867 O LYS A 55 -7.579 -29.566 7.954 1.00 0.00 O ATOM 868 CB LYS A 55 -7.367 -28.929 4.618 1.00 0.00 C ATOM 869 CG LYS A 55 -6.742 -27.709 3.937 1.00 0.00 C ATOM 870 CD LYS A 55 -7.054 -27.517 2.447 1.00 0.00 C ATOM 871 CE LYS A 55 -8.535 -27.649 2.057 1.00 0.00 C ATOM 872 NZ LYS A 55 -8.971 -29.067 2.019 1.00 0.00 N ATOM 0 H LYS A 55 -5.302 -30.111 4.313 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.078 -28.518 6.332 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.441 -29.751 3.906 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.382 -28.693 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.069 -26.817 4.471 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.660 -27.772 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.704 -26.530 2.145 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.480 -28.247 1.877 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.149 -27.099 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -8.696 -27.193 1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.716 -29.182 1.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.161 -29.673 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.342 -29.341 2.951 1.00 0.00 H new ATOM 886 N THR A 56 -8.038 -31.175 6.458 1.00 0.00 N ATOM 887 CA THR A 56 -8.982 -31.938 7.291 1.00 0.00 C ATOM 888 C THR A 56 -8.330 -32.551 8.540 1.00 0.00 C ATOM 889 O THR A 56 -9.034 -32.915 9.478 1.00 0.00 O ATOM 890 CB THR A 56 -9.693 -32.995 6.427 1.00 0.00 C ATOM 891 OG1 THR A 56 -10.169 -32.347 5.262 1.00 0.00 O ATOM 892 CG2 THR A 56 -10.914 -33.633 7.089 1.00 0.00 C ATOM 0 H THR A 56 -7.877 -31.600 5.545 1.00 0.00 H new ATOM 0 HA THR A 56 -9.725 -31.240 7.678 1.00 0.00 H new ATOM 0 HB THR A 56 -8.963 -33.783 6.241 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.472 -32.358 4.574 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.354 -34.365 6.412 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.611 -34.128 8.011 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.649 -32.861 7.316 1.00 0.00 H new ATOM 900 N ILE A 57 -6.996 -32.600 8.591 1.00 0.00 N ATOM 901 CA ILE A 57 -6.223 -33.074 9.755 1.00 0.00 C ATOM 902 C ILE A 57 -5.822 -31.892 10.657 1.00 0.00 C ATOM 903 O ILE A 57 -6.261 -31.819 11.807 1.00 0.00 O ATOM 904 CB ILE A 57 -5.018 -33.918 9.279 1.00 0.00 C ATOM 905 CG1 ILE A 57 -5.519 -35.194 8.559 1.00 0.00 C ATOM 906 CG2 ILE A 57 -4.096 -34.311 10.449 1.00 0.00 C ATOM 907 CD1 ILE A 57 -4.528 -35.690 7.504 1.00 0.00 C ATOM 0 H ILE A 57 -6.406 -32.307 7.812 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.843 -33.727 10.369 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.439 -33.306 8.588 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.688 -35.981 9.294 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.479 -34.988 8.085 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.262 -34.903 10.072 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.714 -33.410 10.929 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.659 -34.898 11.175 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.923 -36.587 7.026 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.378 -34.915 6.753 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.576 -35.923 7.980 1.00 0.00 H new ATOM 919 N LEU A 58 -5.073 -30.902 10.147 1.00 0.00 N ATOM 920 CA LEU A 58 -4.680 -29.706 10.903 1.00 0.00 C ATOM 921 C LEU A 58 -5.865 -28.890 11.427 1.00 0.00 C ATOM 922 O LEU A 58 -5.713 -28.149 12.398 1.00 0.00 O ATOM 923 CB LEU A 58 -3.797 -28.783 10.059 1.00 0.00 C ATOM 924 CG LEU A 58 -2.483 -29.432 9.616 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.583 -30.242 8.338 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.459 -28.331 9.383 1.00 0.00 C ATOM 0 H LEU A 58 -4.721 -30.911 9.190 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.128 -30.087 11.762 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.353 -28.469 9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.573 -27.883 10.632 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.200 -30.122 10.411 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.608 -30.665 8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.305 -31.047 8.473 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.909 -29.596 7.522 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.515 -28.774 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.821 -27.655 8.608 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.307 -27.774 10.308 1.00 0.00 H new ATOM 938 N LYS A 59 -7.050 -29.064 10.838 1.00 0.00 N ATOM 939 CA LYS A 59 -8.319 -28.568 11.411 1.00 0.00 C ATOM 940 C LYS A 59 -8.509 -28.899 12.904 1.00 0.00 C ATOM 941 O LYS A 59 -9.130 -28.116 13.618 1.00 0.00 O ATOM 942 CB LYS A 59 -9.504 -29.089 10.596 1.00 0.00 C ATOM 943 CG LYS A 59 -9.847 -28.151 9.428 1.00 0.00 C ATOM 944 CD LYS A 59 -10.780 -26.978 9.786 1.00 0.00 C ATOM 945 CE LYS A 59 -12.177 -27.411 10.263 1.00 0.00 C ATOM 946 NZ LYS A 59 -13.106 -26.254 10.342 1.00 0.00 N ATOM 0 H LYS A 59 -7.165 -29.552 9.950 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.271 -27.481 11.352 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.272 -30.081 10.210 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.373 -29.195 11.245 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -8.920 -27.747 9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.313 -28.737 8.636 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.311 -26.379 10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.889 -26.335 8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.581 -28.158 9.580 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.098 -27.884 11.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.538 -26.220 11.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -12.580 -25.374 10.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.851 -26.358 9.624 1.00 0.00 H new ATOM 960 N ALA A 60 -7.918 -30.006 13.358 1.00 0.00 N ATOM 961 CA ALA A 60 -7.809 -30.405 14.765 1.00 0.00 C ATOM 962 C ALA A 60 -6.350 -30.455 15.284 1.00 0.00 C ATOM 963 O ALA A 60 -6.135 -30.651 16.477 1.00 0.00 O ATOM 964 CB ALA A 60 -8.513 -31.759 14.929 1.00 0.00 C ATOM 0 H ALA A 60 -7.483 -30.680 12.728 1.00 0.00 H new ATOM 0 HA ALA A 60 -8.293 -29.644 15.378 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.447 -32.080 15.969 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -9.561 -31.661 14.646 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.032 -32.499 14.289 1.00 0.00 H new ATOM 970 N LEU A 61 -5.349 -30.255 14.414 1.00 0.00 N ATOM 971 CA LEU A 61 -3.919 -30.466 14.686 1.00 0.00 C ATOM 972 C LEU A 61 -3.008 -29.291 14.280 1.00 0.00 C ATOM 973 O LEU A 61 -1.818 -29.437 14.013 1.00 0.00 O ATOM 974 CB LEU A 61 -3.507 -31.805 14.049 1.00 0.00 C ATOM 975 CG LEU A 61 -2.867 -32.760 15.074 1.00 0.00 C ATOM 976 CD1 LEU A 61 -2.753 -34.162 14.482 1.00 0.00 C ATOM 977 CD2 LEU A 61 -1.480 -32.292 15.517 1.00 0.00 C ATOM 0 H LEU A 61 -5.520 -29.929 13.463 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.777 -30.511 15.766 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.383 -32.281 13.608 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.803 -31.619 13.238 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.516 -32.768 15.950 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.299 -34.830 15.214 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.746 -34.529 14.222 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.132 -34.130 13.587 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.071 -32.998 16.239 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.821 -32.236 14.651 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.558 -31.307 15.977 1.00 0.00 H new ATOM 989 N GLY A 62 -3.575 -28.089 14.282 1.00 0.00 N ATOM 990 CA GLY A 62 -2.887 -26.828 13.983 1.00 0.00 C ATOM 991 C GLY A 62 -2.818 -25.862 15.168 1.00 0.00 C ATOM 992 O GLY A 62 -3.202 -24.705 14.992 1.00 0.00 O ATOM 0 H GLY A 62 -4.563 -27.956 14.499 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.874 -27.049 13.648 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.396 -26.335 13.155 1.00 0.00 H new ATOM 996 N PRO A 63 -2.336 -26.268 16.366 1.00 0.00 N ATOM 997 CA PRO A 63 -2.274 -25.424 17.570 1.00 0.00 C ATOM 998 C PRO A 63 -1.140 -24.377 17.517 1.00 0.00 C ATOM 999 O PRO A 63 -0.490 -24.108 18.519 1.00 0.00 O ATOM 1000 CB PRO A 63 -2.101 -26.428 18.721 1.00 0.00 C ATOM 1001 CG PRO A 63 -1.186 -27.476 18.094 1.00 0.00 C ATOM 1002 CD PRO A 63 -1.752 -27.573 16.679 1.00 0.00 C ATOM 0 HA PRO A 63 -3.170 -24.813 17.685 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.651 -25.967 19.600 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.053 -26.854 19.037 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.142 -27.162 18.097 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.234 -28.429 18.620 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.968 -27.827 15.966 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.505 -28.358 16.617 1.00 0.00 H new ATOM 1010 N ALA A 64 -0.847 -23.843 16.326 1.00 0.00 N ATOM 1011 CA ALA A 64 0.265 -22.920 16.053 1.00 0.00 C ATOM 1012 C ALA A 64 1.665 -23.420 16.494 1.00 0.00 C ATOM 1013 O ALA A 64 2.554 -22.617 16.746 1.00 0.00 O ATOM 1014 CB ALA A 64 -0.100 -21.523 16.581 1.00 0.00 C ATOM 0 H ALA A 64 -1.398 -24.049 15.493 1.00 0.00 H new ATOM 0 HA ALA A 64 0.386 -22.865 14.971 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.720 -20.833 16.382 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.001 -21.169 16.081 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.278 -21.575 17.655 1.00 0.00 H new ATOM 1020 N ALA A 65 1.865 -24.743 16.544 1.00 0.00 N ATOM 1021 CA ALA A 65 3.172 -25.382 16.730 1.00 0.00 C ATOM 1022 C ALA A 65 3.292 -26.614 15.823 1.00 0.00 C ATOM 1023 O ALA A 65 3.981 -26.561 14.816 1.00 0.00 O ATOM 1024 CB ALA A 65 3.355 -25.717 18.217 1.00 0.00 C ATOM 0 H ALA A 65 1.103 -25.415 16.454 1.00 0.00 H new ATOM 0 HA ALA A 65 3.975 -24.704 16.440 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.324 -26.193 18.366 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.306 -24.801 18.805 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.565 -26.396 18.537 1.00 0.00 H new ATOM 1030 N THR A 66 2.509 -27.676 16.057 1.00 0.00 N ATOM 1031 CA THR A 66 2.550 -28.908 15.235 1.00 0.00 C ATOM 1032 C THR A 66 2.296 -28.695 13.735 1.00 0.00 C ATOM 1033 O THR A 66 2.585 -29.558 12.921 1.00 0.00 O ATOM 1034 CB THR A 66 1.561 -29.970 15.750 1.00 0.00 C ATOM 1035 OG1 THR A 66 1.332 -29.849 17.141 1.00 0.00 O ATOM 1036 CG2 THR A 66 2.082 -31.384 15.503 1.00 0.00 C ATOM 0 H THR A 66 1.830 -27.712 16.817 1.00 0.00 H new ATOM 0 HA THR A 66 3.578 -29.253 15.342 1.00 0.00 H new ATOM 0 HB THR A 66 0.635 -29.800 15.201 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.698 -30.539 17.429 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.360 -32.109 15.879 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.227 -31.537 14.434 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.032 -31.517 16.020 1.00 0.00 H new ATOM 1044 N LEU A 67 1.783 -27.543 13.306 1.00 0.00 N ATOM 1045 CA LEU A 67 1.643 -27.248 11.877 1.00 0.00 C ATOM 1046 C LEU A 67 2.983 -27.338 11.129 1.00 0.00 C ATOM 1047 O LEU A 67 3.038 -27.929 10.065 1.00 0.00 O ATOM 1048 CB LEU A 67 1.009 -25.870 11.754 1.00 0.00 C ATOM 1049 CG LEU A 67 0.432 -25.438 10.384 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.463 -23.916 10.341 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.166 -25.995 9.199 1.00 0.00 C ATOM 0 H LEU A 67 1.458 -26.799 13.924 1.00 0.00 H new ATOM 0 HA LEU A 67 1.005 -27.996 11.405 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.203 -25.810 12.486 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.759 -25.134 12.044 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.579 -25.838 10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.063 -23.571 9.388 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.142 -23.517 11.155 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.491 -23.570 10.450 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.696 -25.642 8.281 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.204 -25.664 9.225 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.132 -27.084 9.229 1.00 0.00 H new ATOM 1063 N GLU A 68 4.054 -26.798 11.694 1.00 0.00 N ATOM 1064 CA GLU A 68 5.422 -26.828 11.128 1.00 0.00 C ATOM 1065 C GLU A 68 5.842 -28.182 10.531 1.00 0.00 C ATOM 1066 O GLU A 68 6.600 -28.221 9.566 1.00 0.00 O ATOM 1067 CB GLU A 68 6.448 -26.387 12.184 1.00 0.00 C ATOM 1068 CG GLU A 68 6.125 -24.988 12.697 1.00 0.00 C ATOM 1069 CD GLU A 68 7.248 -24.404 13.578 1.00 0.00 C ATOM 1070 OE1 GLU A 68 7.351 -24.835 14.750 1.00 0.00 O ATOM 1071 OE2 GLU A 68 7.994 -23.533 13.068 1.00 0.00 O ATOM 0 H GLU A 68 4.008 -26.308 12.588 1.00 0.00 H new ATOM 0 HA GLU A 68 5.402 -26.126 10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.449 -27.093 13.014 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.449 -26.400 11.753 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.952 -24.325 11.849 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.199 -25.020 13.270 1.00 0.00 H new ATOM 1078 N GLU A 69 5.313 -29.283 11.069 1.00 0.00 N ATOM 1079 CA GLU A 69 5.411 -30.604 10.405 1.00 0.00 C ATOM 1080 C GLU A 69 4.260 -30.877 9.407 1.00 0.00 C ATOM 1081 O GLU A 69 4.479 -31.281 8.259 1.00 0.00 O ATOM 1082 CB GLU A 69 5.517 -31.748 11.429 1.00 0.00 C ATOM 1083 CG GLU A 69 4.397 -31.805 12.472 1.00 0.00 C ATOM 1084 CD GLU A 69 4.288 -33.164 13.161 1.00 0.00 C ATOM 1085 OE1 GLU A 69 3.550 -34.013 12.614 1.00 0.00 O ATOM 1086 OE2 GLU A 69 4.904 -33.324 14.238 1.00 0.00 O ATOM 0 H GLU A 69 4.813 -29.296 11.958 1.00 0.00 H new ATOM 0 HA GLU A 69 6.332 -30.569 9.823 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.536 -32.695 10.889 1.00 0.00 H new ATOM 0 HB3 GLU A 69 6.470 -31.659 11.950 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.570 -31.036 13.225 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.448 -31.572 11.990 1.00 0.00 H new ATOM 1093 N MET A 70 3.016 -30.622 9.816 1.00 0.00 N ATOM 1094 CA MET A 70 1.784 -30.916 9.065 1.00 0.00 C ATOM 1095 C MET A 70 1.615 -30.129 7.748 1.00 0.00 C ATOM 1096 O MET A 70 0.830 -30.533 6.884 1.00 0.00 O ATOM 1097 CB MET A 70 0.604 -30.673 9.987 1.00 0.00 C ATOM 1098 CG MET A 70 0.610 -31.384 11.325 1.00 0.00 C ATOM 1099 SD MET A 70 -0.690 -32.619 11.564 1.00 0.00 S ATOM 1100 CE MET A 70 0.340 -33.952 12.250 1.00 0.00 C ATOM 0 H MET A 70 2.826 -30.186 10.718 1.00 0.00 H new ATOM 0 HA MET A 70 1.845 -31.957 8.748 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.538 -29.601 10.175 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.304 -30.960 9.456 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.576 -31.872 11.452 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.524 -30.636 12.113 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.267 -34.848 12.385 1.00 0.00 H new ATOM 0 HE2 MET A 70 1.159 -34.169 11.564 1.00 0.00 H new ATOM 0 HE3 MET A 70 0.746 -33.640 13.212 1.00 0.00 H new ATOM 1110 N MET A 71 2.392 -29.043 7.613 1.00 0.00 N ATOM 1111 CA MET A 71 2.605 -28.154 6.455 1.00 0.00 C ATOM 1112 C MET A 71 2.648 -28.959 5.153 1.00 0.00 C ATOM 1113 O MET A 71 1.957 -28.620 4.195 1.00 0.00 O ATOM 1114 CB MET A 71 3.849 -27.253 6.737 1.00 0.00 C ATOM 1115 CG MET A 71 4.842 -26.969 5.589 1.00 0.00 C ATOM 1116 SD MET A 71 5.954 -28.358 5.214 1.00 0.00 S ATOM 1117 CE MET A 71 7.410 -27.845 6.161 1.00 0.00 C ATOM 0 H MET A 71 2.953 -28.728 8.405 1.00 0.00 H new ATOM 0 HA MET A 71 1.765 -27.474 6.313 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.484 -26.293 7.102 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.410 -27.711 7.552 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.280 -26.714 4.691 1.00 0.00 H new ATOM 0 HG3 MET A 71 5.442 -26.096 5.848 1.00 0.00 H new ATOM 0 HE1 MET A 71 8.099 -28.685 6.253 1.00 0.00 H new ATOM 0 HE2 MET A 71 7.907 -27.022 5.647 1.00 0.00 H new ATOM 0 HE3 MET A 71 7.102 -27.519 7.154 1.00 0.00 H new ATOM 1127 N THR A 72 3.340 -30.100 5.191 1.00 0.00 N ATOM 1128 CA THR A 72 3.344 -31.131 4.151 1.00 0.00 C ATOM 1129 C THR A 72 3.096 -32.527 4.699 1.00 0.00 C ATOM 1130 O THR A 72 2.616 -33.358 3.937 1.00 0.00 O ATOM 1131 CB THR A 72 4.683 -31.161 3.409 1.00 0.00 C ATOM 1132 OG1 THR A 72 4.904 -29.935 2.766 1.00 0.00 O ATOM 1133 CG2 THR A 72 4.813 -32.207 2.296 1.00 0.00 C ATOM 0 H THR A 72 3.938 -30.341 5.981 1.00 0.00 H new ATOM 0 HA THR A 72 2.530 -30.862 3.478 1.00 0.00 H new ATOM 0 HB THR A 72 5.396 -31.400 4.198 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.396 -29.335 3.365 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.802 -32.135 1.842 1.00 0.00 H new ATOM 0 HG22 THR A 72 4.678 -33.204 2.716 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.052 -32.027 1.537 1.00 0.00 H new ATOM 1141 N ALA A 73 3.378 -32.830 5.975 1.00 0.00 N ATOM 1142 CA ALA A 73 3.358 -34.215 6.480 1.00 0.00 C ATOM 1143 C ALA A 73 1.980 -34.908 6.402 1.00 0.00 C ATOM 1144 O ALA A 73 1.868 -36.102 6.666 1.00 0.00 O ATOM 1145 CB ALA A 73 3.928 -34.255 7.904 1.00 0.00 C ATOM 0 H ALA A 73 3.623 -32.134 6.679 1.00 0.00 H new ATOM 0 HA ALA A 73 3.992 -34.796 5.811 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.912 -35.280 8.274 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.955 -33.889 7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.323 -33.624 8.556 1.00 0.00 H new ATOM 1151 N CYS A 74 0.948 -34.164 6.002 1.00 0.00 N ATOM 1152 CA CYS A 74 -0.446 -34.614 5.972 1.00 0.00 C ATOM 1153 C CYS A 74 -1.131 -34.452 4.605 1.00 0.00 C ATOM 1154 O CYS A 74 -2.333 -34.677 4.512 1.00 0.00 O ATOM 1155 CB CYS A 74 -1.200 -33.865 7.084 1.00 0.00 C ATOM 1156 SG CYS A 74 -0.575 -34.439 8.686 1.00 0.00 S ATOM 0 H CYS A 74 1.061 -33.203 5.680 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.465 -35.690 6.146 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.054 -32.790 6.983 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.271 -34.050 7.007 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.913 -33.592 9.612 1.00 0.00 H new ATOM 1162 N GLN A 75 -0.422 -34.035 3.552 1.00 0.00 N ATOM 1163 CA GLN A 75 -0.979 -33.885 2.201 1.00 0.00 C ATOM 1164 C GLN A 75 -0.817 -35.176 1.381 1.00 0.00 C ATOM 1165 O GLN A 75 0.171 -35.893 1.532 1.00 0.00 O ATOM 1166 CB GLN A 75 -0.312 -32.681 1.519 1.00 0.00 C ATOM 1167 CG GLN A 75 1.160 -32.918 1.131 1.00 0.00 C ATOM 1168 CD GLN A 75 1.398 -33.371 -0.306 1.00 0.00 C ATOM 1169 OE1 GLN A 75 0.524 -33.432 -1.151 1.00 0.00 O ATOM 1170 NE2 GLN A 75 2.612 -33.723 -0.658 1.00 0.00 N ATOM 0 H GLN A 75 0.566 -33.789 3.612 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.051 -33.701 2.268 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.877 -32.425 0.623 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.367 -31.821 2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 75 1.714 -31.995 1.298 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.578 -33.667 1.803 1.00 0.00 H new ATOM 0 HE21 GLN A 75 3.371 -33.685 0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.796 -34.034 -1.612 1.00 0.00 H new