USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 967 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 94 LYS NZ :NH3+ 171:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 0.56 K(o=1.8,f=-5.7!) USER MOD Set 2.1: A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 51 MET CE :methyl -117:sc= -0.169 (180deg=-0.822) USER MOD Set 2.3: A 71 MET CE :methyl 179:sc=-0.00923 (180deg=-0.0118) USER MOD Set 3.1: A 26 THR OG1 : rot -36:sc= 1.78 USER MOD Set 3.2: A 62 THR OG1 : rot 175:sc= 0.0894 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -159:sc= 1.26 (180deg=0.981) USER MOD Single : A 28 THR OG1 : rot -55:sc= 0.746 USER MOD Single : A 29 THR OG1 : rot 91:sc= 0.072 USER MOD Single : A 30 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.11) USER MOD Single : A 34 THR OG1 : rot 74:sc= 0.455 USER MOD Single : A 38 SER OG : rot 86:sc= 1.11 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 42 ASN : amide:sc= -0.0969 X(o=-0.097,f=-0.097) USER MOD Single : A 44 THR OG1 : rot -65:sc= 0.464 USER MOD Single : A 49 GLN : amide:sc= -0.0157 K(o=-0.016,f=-1.5!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 60 ASN : amide:sc=-0.00302 K(o=-0.003,f=-5.1!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0.497 K(o=0.5,f=-2.5!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 158:sc= -0.411 (180deg=-1.35) USER MOD Single : A 110 THR OG1 : rot 64:sc= 0.408 USER MOD Single : A 111 ASN : amide:sc= -0.21 K(o=-0.21,f=-1.7!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -56:sc= 1.05 USER MOD Single : A 124 MET CE :methyl 170:sc= 0 (180deg=-0.224) USER MOD Single : A 135 GLN : amide:sc= 0.527 K(o=0.53,f=-0.026) USER MOD Single : A 137 ASN : amide:sc= -0.666 K(o=-0.67,f=-5.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.0152 X(o=-0.015,f=-0.024) USER MOD Single : A 144 MET CE :methyl -146:sc= -0.138 (180deg=-0.95) USER MOD Single : A 145 MET CE :methyl -164:sc= -0.161 (180deg=-1.04) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.064 16.705 1.586 1.00 0.00 N ATOM 59 CA THR A 5 -13.973 17.734 1.184 1.00 0.00 C ATOM 60 C THR A 5 -15.196 17.195 0.527 1.00 0.00 C ATOM 61 O THR A 5 -15.263 16.042 0.103 1.00 0.00 O ATOM 62 CB THR A 5 -13.385 18.804 0.313 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.994 18.278 -0.946 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.190 19.417 1.063 1.00 0.00 C ATOM 0 HA THR A 5 -14.237 18.204 2.131 1.00 0.00 H new ATOM 0 HB THR A 5 -14.128 19.575 0.109 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.615 18.995 -1.497 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.741 20.200 0.453 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.532 19.843 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.449 18.642 1.262 1.00 0.00 H new ATOM 72 N GLU A 6 -16.246 18.036 0.544 1.00 0.00 N ATOM 73 CA GLU A 6 -17.570 17.788 0.064 1.00 0.00 C ATOM 74 C GLU A 6 -17.575 17.236 -1.320 1.00 0.00 C ATOM 75 O GLU A 6 -18.310 16.313 -1.666 1.00 0.00 O ATOM 76 CB GLU A 6 -18.332 19.120 0.156 1.00 0.00 C ATOM 77 CG GLU A 6 -19.663 19.143 -0.598 1.00 0.00 C ATOM 78 CD GLU A 6 -20.444 20.443 -0.470 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.814 20.640 0.718 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.647 21.191 -1.464 1.00 0.00 O ATOM 0 H GLU A 6 -16.157 18.976 0.930 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.056 17.025 0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.520 19.345 1.206 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.696 19.916 -0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.470 18.953 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.285 18.324 -0.235 1.00 0.00 H new ATOM 87 N GLU A 7 -16.711 17.849 -2.149 1.00 0.00 N ATOM 88 CA GLU A 7 -16.462 17.353 -3.466 1.00 0.00 C ATOM 89 C GLU A 7 -16.053 15.920 -3.495 1.00 0.00 C ATOM 90 O GLU A 7 -16.484 15.050 -4.250 1.00 0.00 O ATOM 91 CB GLU A 7 -15.479 18.258 -4.228 1.00 0.00 C ATOM 92 CG GLU A 7 -14.948 17.859 -5.606 1.00 0.00 C ATOM 93 CD GLU A 7 -14.030 18.946 -6.146 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.903 19.009 -5.586 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.403 19.665 -7.111 1.00 0.00 O ATOM 0 H GLU A 7 -16.185 18.689 -1.907 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.417 17.387 -3.991 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.961 19.229 -4.340 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.613 18.404 -3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.406 16.916 -5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.779 17.700 -6.293 1.00 0.00 H new ATOM 102 N GLN A 8 -15.069 15.500 -2.680 1.00 0.00 N ATOM 103 CA GLN A 8 -14.563 14.163 -2.623 1.00 0.00 C ATOM 104 C GLN A 8 -15.606 13.229 -2.113 1.00 0.00 C ATOM 105 O GLN A 8 -15.638 12.092 -2.582 1.00 0.00 O ATOM 106 CB GLN A 8 -13.359 14.241 -1.670 1.00 0.00 C ATOM 107 CG GLN A 8 -12.173 15.040 -2.216 1.00 0.00 C ATOM 108 CD GLN A 8 -11.028 15.314 -1.252 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.126 15.191 -0.032 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.869 15.720 -1.837 1.00 0.00 N ATOM 0 H GLN A 8 -14.601 16.127 -2.026 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.276 13.782 -3.603 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.683 14.690 -0.731 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.025 13.229 -1.441 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.771 14.506 -3.077 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.547 15.997 -2.580 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.815 15.814 -2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.054 15.931 -1.261 1.00 0.00 H new ATOM 119 N ILE A 9 -16.446 13.740 -1.195 1.00 0.00 N ATOM 120 CA ILE A 9 -17.565 13.009 -0.687 1.00 0.00 C ATOM 121 C ILE A 9 -18.618 12.846 -1.729 1.00 0.00 C ATOM 122 O ILE A 9 -19.013 11.695 -1.912 1.00 0.00 O ATOM 123 CB ILE A 9 -18.105 13.586 0.588 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.970 13.659 1.622 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.374 12.841 1.036 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.351 13.635 3.102 1.00 0.00 C ATOM 0 H ILE A 9 -16.347 14.675 -0.799 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.205 12.013 -0.428 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.446 14.611 0.446 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.294 12.824 1.437 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -16.406 14.573 1.436 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -19.745 13.279 1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -20.138 12.926 0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.140 11.789 1.200 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -16.449 13.693 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -17.995 14.485 3.326 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.881 12.709 3.326 1.00 0.00 H new ATOM 138 N ALA A 10 -19.007 13.843 -2.544 1.00 0.00 N ATOM 139 CA ALA A 10 -19.857 13.663 -3.680 1.00 0.00 C ATOM 140 C ALA A 10 -19.414 12.757 -4.777 1.00 0.00 C ATOM 141 O ALA A 10 -20.224 11.945 -5.222 1.00 0.00 O ATOM 142 CB ALA A 10 -20.420 15.020 -4.135 1.00 0.00 C ATOM 0 H ALA A 10 -18.718 14.812 -2.406 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.673 13.042 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -21.066 14.874 -5.001 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -20.995 15.466 -3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.598 15.683 -4.404 1.00 0.00 H new ATOM 148 N GLU A 11 -18.129 12.854 -5.160 1.00 0.00 N ATOM 149 CA GLU A 11 -17.494 11.862 -5.972 1.00 0.00 C ATOM 150 C GLU A 11 -17.515 10.486 -5.401 1.00 0.00 C ATOM 151 O GLU A 11 -17.870 9.553 -6.119 1.00 0.00 O ATOM 152 CB GLU A 11 -16.118 12.363 -6.441 1.00 0.00 C ATOM 153 CG GLU A 11 -15.627 11.578 -7.660 1.00 0.00 C ATOM 154 CD GLU A 11 -14.395 12.123 -8.369 1.00 0.00 C ATOM 155 OE1 GLU A 11 -14.547 13.120 -9.123 1.00 0.00 O ATOM 156 OE2 GLU A 11 -13.301 11.508 -8.252 1.00 0.00 O ATOM 0 H GLU A 11 -17.521 13.632 -4.903 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.100 11.729 -6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -16.179 13.423 -6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.397 12.267 -5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.415 10.556 -7.345 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -16.441 11.526 -8.383 1.00 0.00 H new ATOM 163 N PHE A 12 -17.337 10.284 -4.083 1.00 0.00 N ATOM 164 CA PHE A 12 -17.439 9.001 -3.459 1.00 0.00 C ATOM 165 C PHE A 12 -18.805 8.446 -3.247 1.00 0.00 C ATOM 166 O PHE A 12 -19.047 7.243 -3.328 1.00 0.00 O ATOM 167 CB PHE A 12 -16.663 8.977 -2.132 1.00 0.00 C ATOM 168 CG PHE A 12 -15.176 8.884 -2.090 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.430 8.141 -2.974 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.512 9.672 -1.179 1.00 0.00 C ATOM 171 CE1 PHE A 12 -13.059 8.085 -2.884 1.00 0.00 C ATOM 172 CE2 PHE A 12 -13.153 9.554 -1.006 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.446 8.699 -1.817 1.00 0.00 C ATOM 0 H PHE A 12 -17.115 11.037 -3.431 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.995 8.338 -4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.937 9.883 -1.591 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -17.047 8.134 -1.558 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.931 7.590 -3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -15.064 10.392 -0.593 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.477 7.571 -3.634 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.647 10.126 -0.242 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.402 8.508 -1.615 1.00 0.00 H new ATOM 183 N LYS A 13 -19.770 9.377 -3.138 1.00 0.00 N ATOM 184 CA LYS A 13 -21.170 9.091 -3.170 1.00 0.00 C ATOM 185 C LYS A 13 -21.634 8.529 -4.470 1.00 0.00 C ATOM 186 O LYS A 13 -22.123 7.402 -4.406 1.00 0.00 O ATOM 187 CB LYS A 13 -21.979 10.372 -2.903 1.00 0.00 C ATOM 188 CG LYS A 13 -23.371 10.051 -2.354 1.00 0.00 C ATOM 189 CD LYS A 13 -23.366 9.234 -1.060 1.00 0.00 C ATOM 190 CE LYS A 13 -24.687 9.090 -0.301 1.00 0.00 C ATOM 191 NZ LYS A 13 -25.604 8.254 -1.107 1.00 0.00 N ATOM 0 H LYS A 13 -19.566 10.370 -3.023 1.00 0.00 H new ATOM 0 HA LYS A 13 -21.333 8.341 -2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.443 11.001 -2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -22.074 10.943 -3.827 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.903 10.986 -2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -23.931 9.504 -3.113 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -23.006 8.233 -1.297 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -22.638 9.683 -0.384 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.516 8.633 0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -25.129 10.070 -0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -26.508 8.146 -0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -25.772 8.710 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.178 7.317 -1.258 1.00 0.00 H new ATOM 205 N GLU A 14 -21.259 9.117 -5.620 1.00 0.00 N ATOM 206 CA GLU A 14 -21.440 8.548 -6.919 1.00 0.00 C ATOM 207 C GLU A 14 -20.717 7.292 -7.266 1.00 0.00 C ATOM 208 O GLU A 14 -21.140 6.378 -7.971 1.00 0.00 O ATOM 209 CB GLU A 14 -21.360 9.734 -7.895 1.00 0.00 C ATOM 210 CG GLU A 14 -22.619 10.600 -7.963 1.00 0.00 C ATOM 211 CD GLU A 14 -23.850 9.876 -8.488 1.00 0.00 C ATOM 212 OE1 GLU A 14 -23.900 9.607 -9.718 1.00 0.00 O ATOM 213 OE2 GLU A 14 -24.766 9.497 -7.710 1.00 0.00 O ATOM 0 H GLU A 14 -20.809 10.032 -5.645 1.00 0.00 H new ATOM 0 HA GLU A 14 -22.417 8.068 -6.980 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.518 10.365 -7.609 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -21.146 9.351 -8.893 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -22.836 10.984 -6.966 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -22.419 11.461 -8.600 1.00 0.00 H new ATOM 220 N ALA A 15 -19.529 7.070 -6.675 1.00 0.00 N ATOM 221 CA ALA A 15 -18.809 5.835 -6.704 1.00 0.00 C ATOM 222 C ALA A 15 -19.498 4.674 -6.072 1.00 0.00 C ATOM 223 O ALA A 15 -19.515 3.550 -6.571 1.00 0.00 O ATOM 224 CB ALA A 15 -17.365 5.883 -6.178 1.00 0.00 C ATOM 0 H ALA A 15 -19.044 7.795 -6.147 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.773 5.676 -7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.919 4.891 -6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.783 6.586 -6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.367 6.207 -5.137 1.00 0.00 H new ATOM 230 N PHE A 16 -20.159 4.993 -4.945 1.00 0.00 N ATOM 231 CA PHE A 16 -20.884 3.974 -4.252 1.00 0.00 C ATOM 232 C PHE A 16 -22.035 3.464 -5.049 1.00 0.00 C ATOM 233 O PHE A 16 -22.190 2.244 -5.037 1.00 0.00 O ATOM 234 CB PHE A 16 -21.516 4.482 -2.945 1.00 0.00 C ATOM 235 CG PHE A 16 -22.076 3.556 -1.921 1.00 0.00 C ATOM 236 CD1 PHE A 16 -23.271 2.879 -1.994 1.00 0.00 C ATOM 237 CD2 PHE A 16 -21.447 3.467 -0.702 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.871 2.235 -0.937 1.00 0.00 C ATOM 239 CE2 PHE A 16 -22.018 2.857 0.391 1.00 0.00 C ATOM 240 CZ PHE A 16 -23.277 2.312 0.301 1.00 0.00 C ATOM 0 H PHE A 16 -20.193 5.922 -4.525 1.00 0.00 H new ATOM 0 HA PHE A 16 -20.138 3.201 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -20.757 5.082 -2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -22.322 5.159 -3.229 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.774 2.851 -2.949 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -20.461 3.895 -0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -24.788 1.681 -1.076 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -21.475 2.806 1.323 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.788 1.953 1.182 1.00 0.00 H new ATOM 250 N SER A 17 -22.824 4.301 -5.745 1.00 0.00 N ATOM 251 CA SER A 17 -23.958 3.774 -6.440 1.00 0.00 C ATOM 252 C SER A 17 -23.725 2.988 -7.684 1.00 0.00 C ATOM 253 O SER A 17 -24.588 2.319 -8.250 1.00 0.00 O ATOM 254 CB SER A 17 -24.919 4.900 -6.854 1.00 0.00 C ATOM 255 OG SER A 17 -25.361 5.641 -5.725 1.00 0.00 O ATOM 0 H SER A 17 -22.686 5.308 -5.827 1.00 0.00 H new ATOM 0 HA SER A 17 -24.349 3.082 -5.694 1.00 0.00 H new ATOM 0 HB2 SER A 17 -24.420 5.567 -7.557 1.00 0.00 H new ATOM 0 HB3 SER A 17 -25.779 4.475 -7.373 1.00 0.00 H new ATOM 0 HG SER A 17 -25.969 6.351 -6.018 1.00 0.00 H new ATOM 261 N LEU A 18 -22.480 2.959 -8.192 1.00 0.00 N ATOM 262 CA LEU A 18 -21.927 1.993 -9.090 1.00 0.00 C ATOM 263 C LEU A 18 -21.722 0.661 -8.454 1.00 0.00 C ATOM 264 O LEU A 18 -21.783 -0.370 -9.121 1.00 0.00 O ATOM 265 CB LEU A 18 -20.555 2.490 -9.575 1.00 0.00 C ATOM 266 CG LEU A 18 -20.597 3.803 -10.375 1.00 0.00 C ATOM 267 CD1 LEU A 18 -19.181 4.288 -10.730 1.00 0.00 C ATOM 268 CD2 LEU A 18 -21.441 3.752 -11.660 1.00 0.00 C ATOM 0 H LEU A 18 -21.799 3.679 -7.950 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.638 1.877 -9.908 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.906 2.627 -8.710 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.101 1.717 -10.194 1.00 0.00 H new ATOM 0 HG LEU A 18 -21.088 4.507 -9.703 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -19.246 5.218 -11.295 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.615 4.459 -9.814 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.678 3.532 -11.332 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -21.410 4.723 -12.155 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -21.040 2.991 -12.329 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.473 3.506 -11.408 1.00 0.00 H new ATOM 280 N PHE A 19 -21.505 0.503 -7.137 1.00 0.00 N ATOM 281 CA PHE A 19 -21.183 -0.687 -6.411 1.00 0.00 C ATOM 282 C PHE A 19 -22.374 -1.224 -5.696 1.00 0.00 C ATOM 283 O PHE A 19 -22.524 -2.443 -5.629 1.00 0.00 O ATOM 284 CB PHE A 19 -20.031 -0.434 -5.424 1.00 0.00 C ATOM 285 CG PHE A 19 -18.747 0.090 -5.969 1.00 0.00 C ATOM 286 CD1 PHE A 19 -18.269 -0.404 -7.159 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.968 0.915 -5.193 1.00 0.00 C ATOM 288 CE1 PHE A 19 -17.077 0.091 -7.633 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.796 1.427 -5.697 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.331 0.998 -6.918 1.00 0.00 C ATOM 0 H PHE A 19 -21.563 1.305 -6.510 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.858 -1.435 -7.134 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.385 0.269 -4.670 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.818 -1.372 -4.911 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.814 -1.159 -7.706 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.277 1.161 -4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.716 -0.242 -8.595 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.242 2.164 -5.135 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.395 1.368 -7.309 1.00 0.00 H new ATOM 300 N ASP A 20 -23.229 -0.376 -5.095 1.00 0.00 N ATOM 301 CA ASP A 20 -24.559 -0.726 -4.706 1.00 0.00 C ATOM 302 C ASP A 20 -25.418 -0.925 -5.906 1.00 0.00 C ATOM 303 O ASP A 20 -25.690 -0.080 -6.758 1.00 0.00 O ATOM 304 CB ASP A 20 -25.175 0.294 -3.732 1.00 0.00 C ATOM 305 CG ASP A 20 -26.376 -0.305 -3.015 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.689 -1.519 -3.144 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.141 0.462 -2.372 1.00 0.00 O ATOM 0 H ASP A 20 -22.984 0.589 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.502 -1.670 -4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.427 0.605 -3.002 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.479 1.187 -4.277 1.00 0.00 H new ATOM 312 N LYS A 21 -25.808 -2.195 -6.121 1.00 0.00 N ATOM 313 CA LYS A 21 -26.582 -2.742 -7.191 1.00 0.00 C ATOM 314 C LYS A 21 -28.061 -2.695 -7.020 1.00 0.00 C ATOM 315 O LYS A 21 -28.783 -2.189 -7.878 1.00 0.00 O ATOM 316 CB LYS A 21 -26.128 -4.147 -7.621 1.00 0.00 C ATOM 317 CG LYS A 21 -24.740 -4.264 -8.254 1.00 0.00 C ATOM 318 CD LYS A 21 -24.332 -3.431 -9.471 1.00 0.00 C ATOM 319 CE LYS A 21 -22.875 -3.635 -9.893 1.00 0.00 C ATOM 320 NZ LYS A 21 -22.458 -2.517 -10.767 1.00 0.00 N ATOM 0 H LYS A 21 -25.545 -2.925 -5.459 1.00 0.00 H new ATOM 0 HA LYS A 21 -26.365 -2.048 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -26.157 -4.795 -6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.858 -4.537 -8.330 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -24.017 -4.048 -7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -24.607 -5.310 -8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.983 -3.683 -10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -24.493 -2.376 -9.249 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.233 -3.683 -9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -22.766 -4.583 -10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.634 -2.807 -11.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -23.241 -2.262 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.205 -1.695 -10.182 1.00 0.00 H new ATOM 334 N ASP A 22 -28.653 -3.216 -5.930 1.00 0.00 N ATOM 335 CA ASP A 22 -30.069 -3.218 -5.733 1.00 0.00 C ATOM 336 C ASP A 22 -30.613 -1.927 -5.226 1.00 0.00 C ATOM 337 O ASP A 22 -31.732 -1.492 -5.497 1.00 0.00 O ATOM 338 CB ASP A 22 -30.455 -4.394 -4.820 1.00 0.00 C ATOM 339 CG ASP A 22 -29.680 -4.844 -3.590 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.526 -4.357 -3.455 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.205 -5.646 -2.772 1.00 0.00 O ATOM 0 H ASP A 22 -28.133 -3.647 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.530 -3.345 -6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.467 -4.182 -4.474 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.516 -5.267 -5.469 1.00 0.00 H new ATOM 346 N GLY A 23 -29.747 -1.159 -4.542 1.00 0.00 N ATOM 347 CA GLY A 23 -30.068 0.202 -4.242 1.00 0.00 C ATOM 348 C GLY A 23 -30.780 0.308 -2.937 1.00 0.00 C ATOM 349 O GLY A 23 -31.835 0.919 -2.778 1.00 0.00 O ATOM 0 H GLY A 23 -28.838 -1.473 -4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -29.155 0.796 -4.211 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.691 0.616 -5.035 1.00 0.00 H new ATOM 353 N ASP A 24 -30.207 -0.223 -1.842 1.00 0.00 N ATOM 354 CA ASP A 24 -30.632 -0.137 -0.479 1.00 0.00 C ATOM 355 C ASP A 24 -29.920 0.918 0.294 1.00 0.00 C ATOM 356 O ASP A 24 -30.341 1.363 1.361 1.00 0.00 O ATOM 357 CB ASP A 24 -30.626 -1.452 0.320 1.00 0.00 C ATOM 358 CG ASP A 24 -29.253 -2.108 0.311 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.735 -2.448 -0.786 1.00 0.00 O ATOM 360 OD2 ASP A 24 -28.599 -2.189 1.384 1.00 0.00 O ATOM 0 H ASP A 24 -29.352 -0.773 -1.924 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.680 0.140 -0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.929 -1.255 1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.360 -2.138 -0.102 1.00 0.00 H new ATOM 365 N GLY A 25 -28.753 1.296 -0.259 1.00 0.00 N ATOM 366 CA GLY A 25 -27.758 2.157 0.301 1.00 0.00 C ATOM 367 C GLY A 25 -26.701 1.522 1.136 1.00 0.00 C ATOM 368 O GLY A 25 -25.964 2.277 1.768 1.00 0.00 O ATOM 0 H GLY A 25 -28.483 0.966 -1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.270 2.686 -0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.264 2.907 0.909 1.00 0.00 H new ATOM 372 N THR A 26 -26.571 0.184 1.087 1.00 0.00 N ATOM 373 CA THR A 26 -25.531 -0.557 1.732 1.00 0.00 C ATOM 374 C THR A 26 -24.980 -1.563 0.781 1.00 0.00 C ATOM 375 O THR A 26 -25.584 -1.956 -0.216 1.00 0.00 O ATOM 376 CB THR A 26 -25.942 -1.030 3.095 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.583 -2.296 3.133 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.879 -0.085 3.866 1.00 0.00 C ATOM 0 H THR A 26 -27.222 -0.409 0.573 1.00 0.00 H new ATOM 0 HA THR A 26 -24.680 0.080 1.975 1.00 0.00 H new ATOM 0 HB THR A 26 -24.962 -1.077 3.569 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.144 -2.403 2.336 1.00 0.00 H new ATOM 0 HG21 THR A 26 -27.115 -0.520 4.837 1.00 0.00 H new ATOM 0 HG22 THR A 26 -26.388 0.878 4.009 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.799 0.058 3.299 1.00 0.00 H new ATOM 386 N ILE A 27 -23.670 -1.850 0.884 1.00 0.00 N ATOM 387 CA ILE A 27 -22.879 -2.670 0.019 1.00 0.00 C ATOM 388 C ILE A 27 -22.705 -3.959 0.746 1.00 0.00 C ATOM 389 O ILE A 27 -22.193 -4.016 1.863 1.00 0.00 O ATOM 390 CB ILE A 27 -21.559 -2.068 -0.360 1.00 0.00 C ATOM 391 CG1 ILE A 27 -21.592 -0.538 -0.515 1.00 0.00 C ATOM 392 CG2 ILE A 27 -21.180 -2.680 -1.719 1.00 0.00 C ATOM 393 CD1 ILE A 27 -20.194 0.011 -0.796 1.00 0.00 C ATOM 0 H ILE A 27 -23.112 -1.469 1.649 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.385 -2.795 -0.938 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.846 -2.281 0.436 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -22.265 -0.265 -1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.989 -0.085 0.393 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -20.222 -2.276 -2.046 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -21.102 -3.763 -1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.947 -2.436 -2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -20.243 1.095 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.530 -0.243 0.030 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.810 -0.426 -1.718 1.00 0.00 H new ATOM 405 N THR A 28 -22.977 -5.053 0.011 1.00 0.00 N ATOM 406 CA THR A 28 -22.867 -6.339 0.626 1.00 0.00 C ATOM 407 C THR A 28 -21.548 -6.935 0.272 1.00 0.00 C ATOM 408 O THR A 28 -20.874 -6.468 -0.645 1.00 0.00 O ATOM 409 CB THR A 28 -23.975 -7.278 0.249 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.294 -7.267 -1.135 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.242 -6.843 1.004 1.00 0.00 C ATOM 0 H THR A 28 -23.262 -5.052 -0.969 1.00 0.00 H new ATOM 0 HA THR A 28 -22.949 -6.191 1.703 1.00 0.00 H new ATOM 0 HB THR A 28 -23.635 -8.282 0.503 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.492 -6.350 -1.418 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.065 -7.510 0.748 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.059 -6.888 2.078 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.501 -5.822 0.722 1.00 0.00 H new ATOM 419 N THR A 29 -21.139 -8.040 0.920 1.00 0.00 N ATOM 420 CA THR A 29 -19.930 -8.766 0.679 1.00 0.00 C ATOM 421 C THR A 29 -19.896 -9.324 -0.703 1.00 0.00 C ATOM 422 O THR A 29 -18.823 -9.486 -1.281 1.00 0.00 O ATOM 423 CB THR A 29 -19.718 -9.882 1.658 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.346 -9.574 2.894 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.244 -10.250 1.897 1.00 0.00 C ATOM 0 H THR A 29 -21.695 -8.456 1.667 1.00 0.00 H new ATOM 0 HA THR A 29 -19.124 -8.043 0.804 1.00 0.00 H new ATOM 0 HB THR A 29 -20.175 -10.761 1.204 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.263 -9.921 2.891 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.185 -11.065 2.618 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.790 -10.563 0.957 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.711 -9.382 2.286 1.00 0.00 H new ATOM 433 N LYS A 30 -21.016 -9.595 -1.396 1.00 0.00 N ATOM 434 CA LYS A 30 -21.031 -9.966 -2.777 1.00 0.00 C ATOM 435 C LYS A 30 -20.964 -8.818 -3.725 1.00 0.00 C ATOM 436 O LYS A 30 -20.433 -9.025 -4.815 1.00 0.00 O ATOM 437 CB LYS A 30 -22.297 -10.773 -3.111 1.00 0.00 C ATOM 438 CG LYS A 30 -22.351 -12.152 -2.451 1.00 0.00 C ATOM 439 CD LYS A 30 -23.412 -13.124 -2.972 1.00 0.00 C ATOM 440 CE LYS A 30 -23.161 -14.561 -2.511 1.00 0.00 C ATOM 441 NZ LYS A 30 -23.135 -14.733 -1.041 1.00 0.00 N ATOM 0 H LYS A 30 -21.946 -9.554 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.127 -10.561 -2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.172 -10.200 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.361 -10.897 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -21.374 -12.622 -2.565 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -22.514 -12.011 -1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -24.396 -12.802 -2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -23.427 -13.092 -4.061 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -23.937 -15.204 -2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -22.210 -14.901 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -23.028 -15.742 -0.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -22.335 -14.201 -0.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -24.024 -14.378 -0.634 1.00 0.00 H new ATOM 455 N GLU A 31 -21.343 -7.593 -3.319 1.00 0.00 N ATOM 456 CA GLU A 31 -21.151 -6.443 -4.146 1.00 0.00 C ATOM 457 C GLU A 31 -19.785 -5.853 -4.069 1.00 0.00 C ATOM 458 O GLU A 31 -19.273 -5.484 -5.124 1.00 0.00 O ATOM 459 CB GLU A 31 -22.186 -5.383 -3.733 1.00 0.00 C ATOM 460 CG GLU A 31 -23.649 -5.692 -4.057 1.00 0.00 C ATOM 461 CD GLU A 31 -24.570 -4.732 -3.317 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.461 -4.624 -2.066 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.554 -4.264 -3.949 1.00 0.00 O ATOM 0 H GLU A 31 -21.782 -7.399 -2.419 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.277 -6.766 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.101 -5.225 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.921 -4.442 -4.216 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.815 -5.611 -5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.882 -6.719 -3.775 1.00 0.00 H new ATOM 470 N LEU A 32 -19.241 -5.856 -2.839 1.00 0.00 N ATOM 471 CA LEU A 32 -17.857 -5.707 -2.511 1.00 0.00 C ATOM 472 C LEU A 32 -16.990 -6.658 -3.263 1.00 0.00 C ATOM 473 O LEU A 32 -16.128 -6.254 -4.042 1.00 0.00 O ATOM 474 CB LEU A 32 -17.534 -5.826 -1.012 1.00 0.00 C ATOM 475 CG LEU A 32 -17.982 -4.585 -0.222 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.944 -4.820 1.298 1.00 0.00 C ATOM 477 CD2 LEU A 32 -17.136 -3.350 -0.571 1.00 0.00 C ATOM 0 H LEU A 32 -19.818 -5.972 -2.006 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.637 -4.683 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -18.025 -6.710 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.461 -5.969 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 32 -19.015 -4.399 -0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -18.269 -3.916 1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.610 -5.644 1.556 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.927 -5.066 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -17.484 -2.495 0.008 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.090 -3.547 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.233 -3.131 -1.634 1.00 0.00 H new ATOM 489 N GLY A 33 -17.281 -7.965 -3.139 1.00 0.00 N ATOM 490 CA GLY A 33 -16.642 -9.025 -3.855 1.00 0.00 C ATOM 491 C GLY A 33 -16.584 -8.868 -5.335 1.00 0.00 C ATOM 492 O GLY A 33 -15.516 -9.104 -5.899 1.00 0.00 O ATOM 0 H GLY A 33 -18.004 -8.301 -2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.624 -9.129 -3.480 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.162 -9.956 -3.628 1.00 0.00 H new ATOM 496 N THR A 34 -17.619 -8.315 -5.993 1.00 0.00 N ATOM 497 CA THR A 34 -17.670 -8.134 -7.411 1.00 0.00 C ATOM 498 C THR A 34 -16.609 -7.202 -7.886 1.00 0.00 C ATOM 499 O THR A 34 -16.001 -7.395 -8.938 1.00 0.00 O ATOM 500 CB THR A 34 -19.046 -7.778 -7.889 1.00 0.00 C ATOM 501 OG1 THR A 34 -19.954 -8.864 -7.772 1.00 0.00 O ATOM 502 CG2 THR A 34 -19.069 -7.330 -9.360 1.00 0.00 C ATOM 0 H THR A 34 -18.456 -7.980 -5.516 1.00 0.00 H new ATOM 0 HA THR A 34 -17.448 -9.096 -7.873 1.00 0.00 H new ATOM 0 HB THR A 34 -19.352 -6.954 -7.245 1.00 0.00 H new ATOM 0 HG1 THR A 34 -20.190 -8.993 -6.830 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.091 -7.085 -9.650 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.437 -6.451 -9.482 1.00 0.00 H new ATOM 0 HG23 THR A 34 -18.696 -8.136 -9.992 1.00 0.00 H new ATOM 510 N VAL A 35 -16.281 -6.194 -7.058 1.00 0.00 N ATOM 511 CA VAL A 35 -15.375 -5.153 -7.431 1.00 0.00 C ATOM 512 C VAL A 35 -14.027 -5.770 -7.278 1.00 0.00 C ATOM 513 O VAL A 35 -13.225 -5.791 -8.211 1.00 0.00 O ATOM 514 CB VAL A 35 -15.449 -3.900 -6.610 1.00 0.00 C ATOM 515 CG1 VAL A 35 -14.558 -2.741 -7.086 1.00 0.00 C ATOM 516 CG2 VAL A 35 -16.925 -3.466 -6.637 1.00 0.00 C ATOM 0 H VAL A 35 -16.652 -6.100 -6.112 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.620 -4.814 -8.438 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.072 -4.129 -5.613 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.688 -1.886 -6.423 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.514 -3.055 -7.072 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.839 -2.459 -8.101 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.047 -2.553 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.231 -3.282 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.544 -4.255 -6.210 1.00 0.00 H new ATOM 526 N MET A 36 -13.666 -6.225 -6.065 1.00 0.00 N ATOM 527 CA MET A 36 -12.395 -6.867 -5.935 1.00 0.00 C ATOM 528 C MET A 36 -12.013 -8.023 -6.794 1.00 0.00 C ATOM 529 O MET A 36 -10.874 -8.053 -7.258 1.00 0.00 O ATOM 530 CB MET A 36 -12.126 -7.446 -4.535 1.00 0.00 C ATOM 531 CG MET A 36 -12.398 -6.411 -3.442 1.00 0.00 C ATOM 532 SD MET A 36 -11.699 -4.746 -3.656 1.00 0.00 S ATOM 533 CE MET A 36 -12.464 -3.987 -2.194 1.00 0.00 C ATOM 0 H MET A 36 -14.222 -6.155 -5.213 1.00 0.00 H new ATOM 0 HA MET A 36 -11.824 -5.989 -6.238 1.00 0.00 H new ATOM 0 HB2 MET A 36 -12.756 -8.321 -4.374 1.00 0.00 H new ATOM 0 HB3 MET A 36 -11.091 -7.782 -4.471 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.478 -6.310 -3.338 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.024 -6.813 -2.500 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.164 -2.941 -2.128 1.00 0.00 H new ATOM 0 HE2 MET A 36 -13.549 -4.049 -2.278 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.139 -4.515 -1.298 1.00 0.00 H new ATOM 543 N ARG A 37 -13.020 -8.792 -7.245 1.00 0.00 N ATOM 544 CA ARG A 37 -12.770 -9.792 -8.236 1.00 0.00 C ATOM 545 C ARG A 37 -12.559 -9.245 -9.606 1.00 0.00 C ATOM 546 O ARG A 37 -11.737 -9.808 -10.326 1.00 0.00 O ATOM 547 CB ARG A 37 -13.768 -10.961 -8.183 1.00 0.00 C ATOM 548 CG ARG A 37 -13.815 -11.720 -6.855 1.00 0.00 C ATOM 549 CD ARG A 37 -12.645 -12.658 -6.549 1.00 0.00 C ATOM 550 NE ARG A 37 -12.948 -13.974 -7.180 1.00 0.00 N ATOM 551 CZ ARG A 37 -12.692 -15.215 -6.675 1.00 0.00 C ATOM 552 NH1 ARG A 37 -12.021 -15.422 -5.504 1.00 0.00 N ATOM 553 NH2 ARG A 37 -13.092 -16.328 -7.357 1.00 0.00 N ATOM 0 H ARG A 37 -13.988 -8.725 -6.932 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.807 -10.225 -7.965 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -14.765 -10.576 -8.398 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.520 -11.666 -8.977 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.883 -10.989 -6.049 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -14.734 -12.306 -6.832 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.714 -12.250 -6.942 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.515 -12.770 -5.473 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.399 -13.943 -8.095 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.684 -14.626 -4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.856 -16.372 -5.172 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -13.583 -16.232 -8.246 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.900 -17.255 -6.978 1.00 0.00 H new ATOM 567 N SER A 38 -13.223 -8.132 -9.966 1.00 0.00 N ATOM 568 CA SER A 38 -13.264 -7.584 -11.286 1.00 0.00 C ATOM 569 C SER A 38 -12.021 -6.781 -11.457 1.00 0.00 C ATOM 570 O SER A 38 -11.580 -6.609 -12.593 1.00 0.00 O ATOM 571 CB SER A 38 -14.523 -6.745 -11.563 1.00 0.00 C ATOM 572 OG SER A 38 -15.690 -7.550 -11.631 1.00 0.00 O ATOM 0 H SER A 38 -13.762 -7.583 -9.296 1.00 0.00 H new ATOM 0 HA SER A 38 -13.316 -8.395 -12.013 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.642 -5.998 -10.778 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.400 -6.204 -12.501 1.00 0.00 H new ATOM 0 HG SER A 38 -16.053 -7.677 -10.730 1.00 0.00 H new ATOM 578 N LEU A 39 -11.369 -6.224 -10.421 1.00 0.00 N ATOM 579 CA LEU A 39 -10.131 -5.508 -10.450 1.00 0.00 C ATOM 580 C LEU A 39 -8.940 -6.402 -10.490 1.00 0.00 C ATOM 581 O LEU A 39 -7.823 -6.027 -10.843 1.00 0.00 O ATOM 582 CB LEU A 39 -10.039 -4.673 -9.161 1.00 0.00 C ATOM 583 CG LEU A 39 -10.847 -3.378 -8.977 1.00 0.00 C ATOM 584 CD1 LEU A 39 -10.629 -2.709 -7.609 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.397 -2.412 -10.087 1.00 0.00 C ATOM 0 H LEU A 39 -11.746 -6.281 -9.475 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.124 -4.901 -11.355 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.309 -5.333 -8.337 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.989 -4.412 -9.029 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.908 -3.622 -9.030 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.229 -1.801 -7.548 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.928 -3.395 -6.817 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.575 -2.456 -7.492 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.945 -1.474 -9.997 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.329 -2.219 -9.990 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.598 -2.858 -11.061 1.00 0.00 H new ATOM 597 N GLY A 40 -9.147 -7.690 -10.163 1.00 0.00 N ATOM 598 CA GLY A 40 -8.229 -8.736 -10.488 1.00 0.00 C ATOM 599 C GLY A 40 -7.586 -9.472 -9.364 1.00 0.00 C ATOM 600 O GLY A 40 -6.569 -10.125 -9.595 1.00 0.00 O ATOM 0 H GLY A 40 -9.974 -8.012 -9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.755 -9.463 -11.106 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.438 -8.308 -11.103 1.00 0.00 H new ATOM 604 N GLN A 41 -8.180 -9.311 -8.168 1.00 0.00 N ATOM 605 CA GLN A 41 -7.717 -10.019 -7.015 1.00 0.00 C ATOM 606 C GLN A 41 -8.468 -11.270 -6.713 1.00 0.00 C ATOM 607 O GLN A 41 -9.492 -11.578 -7.320 1.00 0.00 O ATOM 608 CB GLN A 41 -7.704 -9.244 -5.687 1.00 0.00 C ATOM 609 CG GLN A 41 -7.682 -7.725 -5.868 1.00 0.00 C ATOM 610 CD GLN A 41 -7.638 -6.923 -4.575 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.700 -6.731 -3.987 1.00 0.00 O ATOM 612 NE2 GLN A 41 -6.463 -6.443 -4.087 1.00 0.00 N ATOM 0 H GLN A 41 -8.975 -8.695 -8.000 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.696 -10.218 -7.339 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.584 -9.520 -5.106 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.831 -9.546 -5.108 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.815 -7.459 -6.472 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.567 -7.429 -6.432 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.593 -6.614 -4.592 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.451 -5.912 -3.216 1.00 0.00 H new ATOM 621 N ASN A 42 -8.089 -12.123 -5.744 1.00 0.00 N ATOM 622 CA ASN A 42 -8.857 -13.309 -5.524 1.00 0.00 C ATOM 623 C ASN A 42 -9.317 -13.628 -4.143 1.00 0.00 C ATOM 624 O ASN A 42 -9.018 -14.698 -3.617 1.00 0.00 O ATOM 625 CB ASN A 42 -7.961 -14.455 -6.024 1.00 0.00 C ATOM 626 CG ASN A 42 -7.504 -14.285 -7.465 1.00 0.00 C ATOM 627 OD1 ASN A 42 -8.318 -14.657 -8.308 1.00 0.00 O ATOM 628 ND2 ASN A 42 -6.339 -13.640 -7.746 1.00 0.00 N ATOM 0 H ASN A 42 -7.281 -12.000 -5.133 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.802 -13.158 -6.046 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.085 -14.528 -5.380 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.503 -15.396 -5.932 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.091 -13.434 -8.714 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.714 -13.363 -6.989 1.00 0.00 H new ATOM 635 N PRO A 43 -9.973 -12.772 -3.416 1.00 0.00 N ATOM 636 CA PRO A 43 -10.290 -13.019 -2.039 1.00 0.00 C ATOM 637 C PRO A 43 -11.471 -13.911 -1.870 1.00 0.00 C ATOM 638 O PRO A 43 -12.281 -13.918 -2.796 1.00 0.00 O ATOM 639 CB PRO A 43 -10.703 -11.690 -1.410 1.00 0.00 C ATOM 640 CG PRO A 43 -11.189 -10.918 -2.647 1.00 0.00 C ATOM 641 CD PRO A 43 -10.093 -11.340 -3.639 1.00 0.00 C ATOM 0 HA PRO A 43 -9.413 -13.481 -1.586 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.490 -11.813 -0.665 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.870 -11.192 -0.914 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.186 -11.220 -2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.219 -9.840 -2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.374 -11.115 -4.668 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.154 -10.823 -3.445 1.00 0.00 H new ATOM 649 N THR A 44 -11.688 -14.603 -0.737 1.00 0.00 N ATOM 650 CA THR A 44 -12.909 -15.288 -0.446 1.00 0.00 C ATOM 651 C THR A 44 -13.836 -14.367 0.269 1.00 0.00 C ATOM 652 O THR A 44 -13.491 -13.364 0.892 1.00 0.00 O ATOM 653 CB THR A 44 -12.756 -16.579 0.303 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.112 -16.412 1.557 1.00 0.00 O ATOM 655 CG2 THR A 44 -11.964 -17.626 -0.499 1.00 0.00 C ATOM 0 H THR A 44 -10.990 -14.688 0.002 1.00 0.00 H new ATOM 0 HA THR A 44 -13.324 -15.582 -1.410 1.00 0.00 H new ATOM 0 HB THR A 44 -13.776 -16.929 0.464 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.191 -16.110 1.414 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.879 -18.543 0.084 1.00 0.00 H new ATOM 0 HG22 THR A 44 -12.483 -17.837 -1.434 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.968 -17.241 -0.716 1.00 0.00 H new ATOM 663 N GLU A 45 -15.134 -14.717 0.232 1.00 0.00 N ATOM 664 CA GLU A 45 -16.153 -13.867 0.765 1.00 0.00 C ATOM 665 C GLU A 45 -16.163 -13.852 2.255 1.00 0.00 C ATOM 666 O GLU A 45 -16.394 -12.799 2.845 1.00 0.00 O ATOM 667 CB GLU A 45 -17.470 -14.467 0.246 1.00 0.00 C ATOM 668 CG GLU A 45 -18.710 -13.664 0.645 1.00 0.00 C ATOM 669 CD GLU A 45 -19.921 -14.175 -0.123 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.850 -14.524 -1.332 1.00 0.00 O ATOM 671 OE2 GLU A 45 -21.009 -14.205 0.512 1.00 0.00 O ATOM 0 H GLU A 45 -15.478 -15.590 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.993 -12.833 0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.425 -14.534 -0.841 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.570 -15.484 0.624 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.883 -13.753 1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -18.553 -12.606 0.434 1.00 0.00 H new ATOM 678 N ALA A 46 -15.668 -14.887 2.957 1.00 0.00 N ATOM 679 CA ALA A 46 -15.314 -14.936 4.341 1.00 0.00 C ATOM 680 C ALA A 46 -14.122 -14.094 4.644 1.00 0.00 C ATOM 681 O ALA A 46 -13.976 -13.656 5.784 1.00 0.00 O ATOM 682 CB ALA A 46 -15.181 -16.417 4.733 1.00 0.00 C ATOM 0 H ALA A 46 -15.499 -15.784 2.503 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.092 -14.493 4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.911 -16.492 5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.131 -16.925 4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.407 -16.886 4.126 1.00 0.00 H new ATOM 688 N GLU A 47 -13.068 -14.070 3.809 1.00 0.00 N ATOM 689 CA GLU A 47 -11.982 -13.160 3.999 1.00 0.00 C ATOM 690 C GLU A 47 -12.360 -11.722 3.899 1.00 0.00 C ATOM 691 O GLU A 47 -11.841 -10.868 4.615 1.00 0.00 O ATOM 692 CB GLU A 47 -10.873 -13.390 2.958 1.00 0.00 C ATOM 693 CG GLU A 47 -10.022 -14.629 3.239 1.00 0.00 C ATOM 694 CD GLU A 47 -9.084 -14.816 2.055 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.573 -15.104 0.929 1.00 0.00 O ATOM 696 OE2 GLU A 47 -7.842 -14.863 2.259 1.00 0.00 O ATOM 0 H GLU A 47 -12.968 -14.683 3.000 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.643 -13.367 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.326 -13.486 1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.226 -12.513 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.455 -14.504 4.162 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.654 -15.507 3.370 1.00 0.00 H new ATOM 703 N LEU A 48 -13.304 -11.367 3.009 1.00 0.00 N ATOM 704 CA LEU A 48 -13.876 -10.066 2.855 1.00 0.00 C ATOM 705 C LEU A 48 -14.899 -9.783 3.901 1.00 0.00 C ATOM 706 O LEU A 48 -15.044 -8.626 4.292 1.00 0.00 O ATOM 707 CB LEU A 48 -14.670 -10.101 1.538 1.00 0.00 C ATOM 708 CG LEU A 48 -13.859 -9.908 0.246 1.00 0.00 C ATOM 709 CD1 LEU A 48 -14.699 -10.424 -0.934 1.00 0.00 C ATOM 710 CD2 LEU A 48 -13.543 -8.421 0.012 1.00 0.00 C ATOM 0 H LEU A 48 -13.695 -12.040 2.350 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.077 -9.326 2.901 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.188 -11.058 1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.436 -9.326 1.580 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.920 -10.455 0.332 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.141 -10.296 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.922 -11.481 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -15.631 -9.861 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.969 -8.311 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.474 -7.860 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.962 -8.036 0.850 1.00 0.00 H new ATOM 722 N GLN A 49 -15.625 -10.782 4.434 1.00 0.00 N ATOM 723 CA GLN A 49 -16.396 -10.704 5.636 1.00 0.00 C ATOM 724 C GLN A 49 -15.607 -10.359 6.851 1.00 0.00 C ATOM 725 O GLN A 49 -16.059 -9.444 7.537 1.00 0.00 O ATOM 726 CB GLN A 49 -17.307 -11.932 5.799 1.00 0.00 C ATOM 727 CG GLN A 49 -18.250 -11.819 6.998 1.00 0.00 C ATOM 728 CD GLN A 49 -19.153 -13.043 7.061 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.550 -13.542 6.009 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.677 -13.386 8.268 1.00 0.00 N ATOM 0 H GLN A 49 -15.676 -11.702 3.997 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.056 -9.844 5.523 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.896 -12.064 4.891 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.690 -12.823 5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.673 -11.733 7.919 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.853 -10.915 6.914 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.323 -12.951 9.120 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.424 -14.078 8.321 1.00 0.00 H new ATOM 739 N ASP A 50 -14.400 -10.905 7.086 1.00 0.00 N ATOM 740 CA ASP A 50 -13.449 -10.335 7.989 1.00 0.00 C ATOM 741 C ASP A 50 -13.133 -8.898 7.753 1.00 0.00 C ATOM 742 O ASP A 50 -13.040 -8.155 8.728 1.00 0.00 O ATOM 743 CB ASP A 50 -12.233 -11.276 7.962 1.00 0.00 C ATOM 744 CG ASP A 50 -11.370 -10.948 9.171 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.729 -11.264 10.337 1.00 0.00 O ATOM 746 OD2 ASP A 50 -10.261 -10.367 9.022 1.00 0.00 O ATOM 0 H ASP A 50 -14.078 -11.763 6.638 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.869 -10.278 8.993 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.554 -12.317 7.992 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.667 -11.143 7.040 1.00 0.00 H new ATOM 751 N MET A 51 -12.789 -8.410 6.547 1.00 0.00 N ATOM 752 CA MET A 51 -12.551 -7.031 6.255 1.00 0.00 C ATOM 753 C MET A 51 -13.651 -6.034 6.375 1.00 0.00 C ATOM 754 O MET A 51 -13.435 -4.922 6.855 1.00 0.00 O ATOM 755 CB MET A 51 -12.114 -7.080 4.781 1.00 0.00 C ATOM 756 CG MET A 51 -11.760 -5.711 4.196 1.00 0.00 C ATOM 757 SD MET A 51 -11.469 -5.632 2.403 1.00 0.00 S ATOM 758 CE MET A 51 -13.132 -5.099 1.904 1.00 0.00 C ATOM 0 H MET A 51 -12.671 -9.012 5.732 1.00 0.00 H new ATOM 0 HA MET A 51 -11.855 -6.664 7.010 1.00 0.00 H new ATOM 0 HB2 MET A 51 -11.250 -7.738 4.690 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.915 -7.522 4.189 1.00 0.00 H new ATOM 0 HG2 MET A 51 -12.567 -5.019 4.439 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.865 -5.348 4.701 1.00 0.00 H new ATOM 0 HE1 MET A 51 -13.587 -5.866 1.277 1.00 0.00 H new ATOM 0 HE2 MET A 51 -13.746 -4.944 2.791 1.00 0.00 H new ATOM 0 HE3 MET A 51 -13.062 -4.167 1.344 1.00 0.00 H new ATOM 768 N ILE A 52 -14.922 -6.419 6.162 1.00 0.00 N ATOM 769 CA ILE A 52 -16.084 -5.704 6.589 1.00 0.00 C ATOM 770 C ILE A 52 -16.083 -5.619 8.077 1.00 0.00 C ATOM 771 O ILE A 52 -16.159 -4.560 8.698 1.00 0.00 O ATOM 772 CB ILE A 52 -17.458 -6.143 6.177 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.511 -6.183 4.641 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.541 -5.151 6.632 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.805 -6.822 4.138 1.00 0.00 C ATOM 0 H ILE A 52 -15.151 -7.279 5.663 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.954 -4.767 6.048 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.647 -7.115 6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.428 -5.170 4.247 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.657 -6.743 4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.520 -5.509 6.312 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.523 -5.066 7.719 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.349 -4.174 6.188 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.806 -6.832 3.048 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.875 -7.844 4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.658 -6.246 4.496 1.00 0.00 H new ATOM 787 N ASN A 53 -15.959 -6.764 8.773 1.00 0.00 N ATOM 788 CA ASN A 53 -16.135 -6.793 10.192 1.00 0.00 C ATOM 789 C ASN A 53 -15.172 -5.984 10.992 1.00 0.00 C ATOM 790 O ASN A 53 -15.370 -5.692 12.170 1.00 0.00 O ATOM 791 CB ASN A 53 -15.991 -8.286 10.532 1.00 0.00 C ATOM 792 CG ASN A 53 -16.628 -8.610 11.876 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.361 -7.891 12.551 1.00 0.00 O ATOM 794 ND2 ASN A 53 -16.322 -9.859 12.320 1.00 0.00 N ATOM 0 H ASN A 53 -15.737 -7.667 8.354 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.092 -6.341 10.452 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.459 -8.886 9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.935 -8.557 10.553 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.700 -10.192 13.207 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.714 -10.463 11.766 1.00 0.00 H new ATOM 801 N GLU A 54 -14.074 -5.584 10.326 1.00 0.00 N ATOM 802 CA GLU A 54 -13.173 -4.603 10.845 1.00 0.00 C ATOM 803 C GLU A 54 -13.705 -3.213 10.912 1.00 0.00 C ATOM 804 O GLU A 54 -13.755 -2.537 11.938 1.00 0.00 O ATOM 805 CB GLU A 54 -11.844 -4.492 10.077 1.00 0.00 C ATOM 806 CG GLU A 54 -10.745 -3.614 10.677 1.00 0.00 C ATOM 807 CD GLU A 54 -10.695 -2.270 9.964 1.00 0.00 C ATOM 808 OE1 GLU A 54 -10.481 -2.285 8.722 1.00 0.00 O ATOM 809 OE2 GLU A 54 -10.874 -1.181 10.571 1.00 0.00 O ATOM 0 H GLU A 54 -13.807 -5.948 9.411 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.021 -4.995 11.850 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.441 -5.498 9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.065 -4.116 9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.931 -3.463 11.740 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.781 -4.116 10.590 1.00 0.00 H new ATOM 816 N VAL A 55 -14.342 -2.777 9.810 1.00 0.00 N ATOM 817 CA VAL A 55 -14.947 -1.499 9.595 1.00 0.00 C ATOM 818 C VAL A 55 -16.381 -1.413 9.991 1.00 0.00 C ATOM 819 O VAL A 55 -16.917 -0.313 10.114 1.00 0.00 O ATOM 820 CB VAL A 55 -14.803 -0.859 8.246 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.290 -0.649 8.074 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.401 -1.684 7.093 1.00 0.00 C ATOM 0 H VAL A 55 -14.442 -3.379 8.993 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.322 -0.922 10.276 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.367 0.073 8.203 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.095 -0.183 7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -12.919 -0.003 8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.781 -1.612 8.122 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -15.256 -1.153 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.904 -2.653 7.043 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.467 -1.831 7.266 1.00 0.00 H new ATOM 832 N ASP A 56 -17.019 -2.538 10.361 1.00 0.00 N ATOM 833 CA ASP A 56 -18.380 -2.722 10.758 1.00 0.00 C ATOM 834 C ASP A 56 -18.401 -2.486 12.229 1.00 0.00 C ATOM 835 O ASP A 56 -18.727 -3.350 13.042 1.00 0.00 O ATOM 836 CB ASP A 56 -18.939 -4.124 10.460 1.00 0.00 C ATOM 837 CG ASP A 56 -20.452 -4.234 10.341 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.076 -3.219 9.933 1.00 0.00 O ATOM 839 OD2 ASP A 56 -21.028 -5.263 10.785 1.00 0.00 O ATOM 0 H ASP A 56 -16.515 -3.424 10.383 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.011 -2.037 10.192 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.496 -4.479 9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.608 -4.799 11.249 1.00 0.00 H new ATOM 844 N ALA A 57 -18.078 -1.294 12.764 1.00 0.00 N ATOM 845 CA ALA A 57 -18.146 -1.003 14.162 1.00 0.00 C ATOM 846 C ALA A 57 -19.542 -0.841 14.658 1.00 0.00 C ATOM 847 O ALA A 57 -19.789 -0.686 15.853 1.00 0.00 O ATOM 848 CB ALA A 57 -17.387 0.305 14.443 1.00 0.00 C ATOM 0 H ALA A 57 -17.758 -0.505 12.202 1.00 0.00 H new ATOM 0 HA ALA A 57 -17.701 -1.852 14.682 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.435 0.532 15.508 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.345 0.193 14.143 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -17.842 1.118 13.878 1.00 0.00 H new ATOM 854 N ASP A 58 -20.484 -0.778 13.700 1.00 0.00 N ATOM 855 CA ASP A 58 -21.862 -0.412 13.801 1.00 0.00 C ATOM 856 C ASP A 58 -22.754 -1.591 13.985 1.00 0.00 C ATOM 857 O ASP A 58 -23.543 -1.687 14.924 1.00 0.00 O ATOM 858 CB ASP A 58 -22.286 0.520 12.653 1.00 0.00 C ATOM 859 CG ASP A 58 -22.099 -0.126 11.287 1.00 0.00 C ATOM 860 OD1 ASP A 58 -20.949 -0.554 11.001 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.020 -0.185 10.430 1.00 0.00 O ATOM 0 H ASP A 58 -20.245 -1.014 12.737 1.00 0.00 H new ATOM 0 HA ASP A 58 -21.980 0.170 14.715 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -23.332 0.798 12.781 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -21.703 1.440 12.700 1.00 0.00 H new ATOM 866 N GLY A 59 -22.546 -2.489 13.005 1.00 0.00 N ATOM 867 CA GLY A 59 -22.927 -3.865 13.084 1.00 0.00 C ATOM 868 C GLY A 59 -24.021 -4.289 12.166 1.00 0.00 C ATOM 869 O GLY A 59 -24.687 -5.309 12.335 1.00 0.00 O ATOM 0 H GLY A 59 -22.095 -2.247 12.123 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.049 -4.478 12.880 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.234 -4.079 14.108 1.00 0.00 H new ATOM 873 N ASN A 60 -24.247 -3.604 11.031 1.00 0.00 N ATOM 874 CA ASN A 60 -25.148 -4.092 10.033 1.00 0.00 C ATOM 875 C ASN A 60 -24.694 -5.269 9.240 1.00 0.00 C ATOM 876 O ASN A 60 -25.500 -5.997 8.663 1.00 0.00 O ATOM 877 CB ASN A 60 -25.831 -3.019 9.168 1.00 0.00 C ATOM 878 CG ASN A 60 -24.760 -2.127 8.556 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.589 -2.504 8.544 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.192 -0.950 8.029 1.00 0.00 N ATOM 0 H ASN A 60 -23.806 -2.713 10.804 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.936 -4.492 10.671 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.425 -3.488 8.384 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.516 -2.425 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.528 -0.315 7.587 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.180 -0.703 8.075 1.00 0.00 H new ATOM 887 N GLY A 61 -23.383 -5.563 9.292 1.00 0.00 N ATOM 888 CA GLY A 61 -22.760 -6.610 8.544 1.00 0.00 C ATOM 889 C GLY A 61 -22.302 -6.119 7.214 1.00 0.00 C ATOM 890 O GLY A 61 -21.589 -6.802 6.480 1.00 0.00 O ATOM 0 H GLY A 61 -22.729 -5.048 9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.911 -7.004 9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.462 -7.433 8.409 1.00 0.00 H new ATOM 894 N THR A 62 -22.678 -4.878 6.854 1.00 0.00 N ATOM 895 CA THR A 62 -22.496 -4.328 5.547 1.00 0.00 C ATOM 896 C THR A 62 -21.825 -2.997 5.539 1.00 0.00 C ATOM 897 O THR A 62 -21.645 -2.363 6.577 1.00 0.00 O ATOM 898 CB THR A 62 -23.755 -4.121 4.758 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.576 -3.022 5.124 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.678 -5.349 4.811 1.00 0.00 C ATOM 0 H THR A 62 -23.128 -4.231 7.502 1.00 0.00 H new ATOM 0 HA THR A 62 -21.878 -5.101 5.089 1.00 0.00 H new ATOM 0 HB THR A 62 -23.344 -3.924 3.768 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.316 -2.940 4.487 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.577 -5.154 4.226 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.157 -6.214 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.955 -5.551 5.846 1.00 0.00 H new ATOM 908 N ILE A 63 -21.322 -2.561 4.370 1.00 0.00 N ATOM 909 CA ILE A 63 -20.693 -1.285 4.220 1.00 0.00 C ATOM 910 C ILE A 63 -21.687 -0.245 3.831 1.00 0.00 C ATOM 911 O ILE A 63 -22.450 -0.291 2.867 1.00 0.00 O ATOM 912 CB ILE A 63 -19.417 -1.417 3.442 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.336 -2.051 4.333 1.00 0.00 C ATOM 914 CG2 ILE A 63 -18.940 -0.022 3.007 1.00 0.00 C ATOM 915 CD1 ILE A 63 -16.978 -2.048 3.633 1.00 0.00 C ATOM 0 H ILE A 63 -21.353 -3.108 3.509 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.333 -0.888 5.169 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.592 -2.043 2.567 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.266 -1.502 5.272 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.619 -3.074 4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.013 -0.114 2.441 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.701 0.444 2.382 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -18.767 0.595 3.889 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.232 -2.502 4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -17.045 -2.618 2.706 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.687 -1.022 3.408 1.00 0.00 H new ATOM 927 N ASP A 64 -21.856 0.692 4.781 1.00 0.00 N ATOM 928 CA ASP A 64 -22.664 1.863 4.638 1.00 0.00 C ATOM 929 C ASP A 64 -21.775 3.034 4.394 1.00 0.00 C ATOM 930 O ASP A 64 -20.548 2.956 4.425 1.00 0.00 O ATOM 931 CB ASP A 64 -23.708 1.873 5.767 1.00 0.00 C ATOM 932 CG ASP A 64 -23.064 1.717 7.137 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.412 0.691 7.468 1.00 0.00 O ATOM 934 OD2 ASP A 64 -23.207 2.732 7.871 1.00 0.00 O ATOM 0 H ASP A 64 -21.406 0.629 5.694 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.301 1.898 3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -24.269 2.807 5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.423 1.066 5.608 1.00 0.00 H new ATOM 939 N PHE A 65 -22.315 4.203 4.005 1.00 0.00 N ATOM 940 CA PHE A 65 -21.593 5.252 3.354 1.00 0.00 C ATOM 941 C PHE A 65 -20.477 5.757 4.203 1.00 0.00 C ATOM 942 O PHE A 65 -19.348 5.810 3.719 1.00 0.00 O ATOM 943 CB PHE A 65 -22.421 6.458 2.881 1.00 0.00 C ATOM 944 CG PHE A 65 -21.612 7.394 2.050 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.877 6.957 0.973 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.525 8.707 2.448 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.106 7.857 0.275 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.865 9.631 1.672 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.108 9.190 0.613 1.00 0.00 C ATOM 0 H PHE A 65 -23.299 4.427 4.151 1.00 0.00 H new ATOM 0 HA PHE A 65 -21.223 4.762 2.453 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -23.277 6.107 2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.816 6.990 3.747 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.905 5.918 0.678 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.979 9.016 3.378 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.494 7.514 -0.546 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.940 10.686 1.891 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.514 9.891 0.046 1.00 0.00 H new ATOM 959 N PRO A 66 -20.485 6.231 5.413 1.00 0.00 N ATOM 960 CA PRO A 66 -19.342 6.867 6.000 1.00 0.00 C ATOM 961 C PRO A 66 -18.234 5.926 6.328 1.00 0.00 C ATOM 962 O PRO A 66 -17.088 6.367 6.381 1.00 0.00 O ATOM 963 CB PRO A 66 -19.857 7.583 7.247 1.00 0.00 C ATOM 964 CG PRO A 66 -21.137 6.796 7.568 1.00 0.00 C ATOM 965 CD PRO A 66 -21.702 6.406 6.192 1.00 0.00 C ATOM 0 HA PRO A 66 -18.896 7.558 5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.138 7.543 8.066 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.064 8.636 7.056 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.921 5.915 8.173 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -21.846 7.403 8.131 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.295 5.492 6.237 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.345 7.183 5.778 1.00 0.00 H new ATOM 973 N GLU A 67 -18.602 4.632 6.368 1.00 0.00 N ATOM 974 CA GLU A 67 -17.684 3.539 6.455 1.00 0.00 C ATOM 975 C GLU A 67 -17.041 3.252 5.142 1.00 0.00 C ATOM 976 O GLU A 67 -15.886 2.840 5.046 1.00 0.00 O ATOM 977 CB GLU A 67 -18.491 2.307 6.896 1.00 0.00 C ATOM 978 CG GLU A 67 -17.806 1.105 7.550 1.00 0.00 C ATOM 979 CD GLU A 67 -19.018 0.286 7.971 1.00 0.00 C ATOM 980 OE1 GLU A 67 -19.862 0.748 8.784 1.00 0.00 O ATOM 981 OE2 GLU A 67 -19.220 -0.873 7.519 1.00 0.00 O ATOM 0 H GLU A 67 -19.578 4.336 6.339 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.891 3.787 7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.252 2.658 7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -19.013 1.935 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.163 0.566 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.186 1.393 8.399 1.00 0.00 H new ATOM 988 N PHE A 68 -17.692 3.524 3.997 1.00 0.00 N ATOM 989 CA PHE A 68 -17.189 3.448 2.661 1.00 0.00 C ATOM 990 C PHE A 68 -16.038 4.384 2.517 1.00 0.00 C ATOM 991 O PHE A 68 -15.029 3.997 1.930 1.00 0.00 O ATOM 992 CB PHE A 68 -18.301 3.714 1.632 1.00 0.00 C ATOM 993 CG PHE A 68 -17.908 3.583 0.201 1.00 0.00 C ATOM 994 CD1 PHE A 68 -17.484 2.376 -0.303 1.00 0.00 C ATOM 995 CD2 PHE A 68 -17.742 4.685 -0.604 1.00 0.00 C ATOM 996 CE1 PHE A 68 -17.004 2.239 -1.584 1.00 0.00 C ATOM 997 CE2 PHE A 68 -17.271 4.623 -1.894 1.00 0.00 C ATOM 998 CZ PHE A 68 -16.912 3.377 -2.351 1.00 0.00 C ATOM 0 H PHE A 68 -18.666 3.827 4.011 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.831 2.438 2.461 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -19.123 3.025 1.828 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.685 4.722 1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.530 1.503 0.331 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.996 5.654 -0.200 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -16.711 1.275 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -17.188 5.504 -2.514 1.00 0.00 H new ATOM 0 HZ PHE A 68 -16.540 3.287 -3.361 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.247 5.602 3.048 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.204 6.579 2.988 1.00 0.00 C ATOM 1010 C LEU A 69 -13.906 6.338 3.679 1.00 0.00 C ATOM 1011 O LEU A 69 -12.845 6.581 3.106 1.00 0.00 O ATOM 1012 CB LEU A 69 -15.652 7.975 3.450 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.929 8.554 2.817 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.474 9.771 3.583 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.696 8.960 1.352 1.00 0.00 C ATOM 0 H LEU A 69 -17.108 5.904 3.504 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.006 6.495 1.919 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.796 7.942 4.530 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -14.836 8.671 3.259 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.668 7.754 2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.375 10.137 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -17.712 9.480 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.722 10.560 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.618 9.365 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.913 9.717 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.391 8.086 0.776 1.00 0.00 H new ATOM 1027 N THR A 70 -14.033 5.714 4.864 1.00 0.00 N ATOM 1028 CA THR A 70 -12.862 5.271 5.555 1.00 0.00 C ATOM 1029 C THR A 70 -12.201 4.180 4.784 1.00 0.00 C ATOM 1030 O THR A 70 -10.976 4.267 4.716 1.00 0.00 O ATOM 1031 CB THR A 70 -13.155 4.771 6.939 1.00 0.00 C ATOM 1032 OG1 THR A 70 -13.862 5.769 7.660 1.00 0.00 O ATOM 1033 CG2 THR A 70 -11.904 4.357 7.732 1.00 0.00 C ATOM 0 H THR A 70 -14.918 5.520 5.333 1.00 0.00 H new ATOM 0 HA THR A 70 -12.207 6.138 5.645 1.00 0.00 H new ATOM 0 HB THR A 70 -13.756 3.869 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 70 -14.056 5.444 8.564 1.00 0.00 H new ATOM 0 HG21 THR A 70 -12.199 4.007 8.721 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.387 3.556 7.204 1.00 0.00 H new ATOM 0 HG23 THR A 70 -11.238 5.214 7.834 1.00 0.00 H new ATOM 1041 N MET A 71 -12.932 3.222 4.187 1.00 0.00 N ATOM 1042 CA MET A 71 -12.420 2.166 3.370 1.00 0.00 C ATOM 1043 C MET A 71 -11.614 2.722 2.247 1.00 0.00 C ATOM 1044 O MET A 71 -10.429 2.407 2.142 1.00 0.00 O ATOM 1045 CB MET A 71 -13.545 1.261 2.840 1.00 0.00 C ATOM 1046 CG MET A 71 -13.022 0.032 2.093 1.00 0.00 C ATOM 1047 SD MET A 71 -13.934 -1.528 2.291 1.00 0.00 S ATOM 1048 CE MET A 71 -13.185 -1.864 3.911 1.00 0.00 C ATOM 0 H MET A 71 -13.947 3.183 4.282 1.00 0.00 H new ATOM 0 HA MET A 71 -11.772 1.548 3.992 1.00 0.00 H new ATOM 0 HB2 MET A 71 -14.165 0.935 3.675 1.00 0.00 H new ATOM 0 HB3 MET A 71 -14.185 1.839 2.174 1.00 0.00 H new ATOM 0 HG2 MET A 71 -12.995 0.272 1.030 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.993 -0.139 2.408 1.00 0.00 H new ATOM 0 HE1 MET A 71 -13.585 -2.796 4.311 1.00 0.00 H new ATOM 0 HE2 MET A 71 -12.104 -1.951 3.801 1.00 0.00 H new ATOM 0 HE3 MET A 71 -13.416 -1.047 4.595 1.00 0.00 H new ATOM 1058 N MET A 72 -12.310 3.505 1.404 1.00 0.00 N ATOM 1059 CA MET A 72 -11.754 4.063 0.210 1.00 0.00 C ATOM 1060 C MET A 72 -10.471 4.795 0.404 1.00 0.00 C ATOM 1061 O MET A 72 -9.527 4.587 -0.356 1.00 0.00 O ATOM 1062 CB MET A 72 -12.737 4.914 -0.613 1.00 0.00 C ATOM 1063 CG MET A 72 -12.715 4.564 -2.102 1.00 0.00 C ATOM 1064 SD MET A 72 -13.452 2.952 -2.505 1.00 0.00 S ATOM 1065 CE MET A 72 -13.294 2.852 -4.311 1.00 0.00 C ATOM 0 H MET A 72 -13.286 3.757 1.557 1.00 0.00 H new ATOM 0 HA MET A 72 -11.527 3.172 -0.376 1.00 0.00 H new ATOM 0 HB2 MET A 72 -13.746 4.773 -0.225 1.00 0.00 H new ATOM 0 HB3 MET A 72 -12.492 5.969 -0.488 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.245 5.340 -2.653 1.00 0.00 H new ATOM 0 HG3 MET A 72 -11.682 4.575 -2.450 1.00 0.00 H new ATOM 0 HE1 MET A 72 -13.712 1.908 -4.661 1.00 0.00 H new ATOM 0 HE2 MET A 72 -13.833 3.681 -4.770 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.241 2.907 -4.588 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.447 5.662 1.432 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.398 6.591 1.715 1.00 0.00 C ATOM 1077 C ALA A 73 -8.177 5.909 2.231 1.00 0.00 C ATOM 1078 O ALA A 73 -7.051 6.394 2.136 1.00 0.00 O ATOM 1079 CB ALA A 73 -9.990 7.620 2.693 1.00 0.00 C ATOM 0 H ALA A 73 -11.209 5.717 2.108 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.053 7.096 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.231 8.359 2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.840 8.118 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.320 7.113 3.600 1.00 0.00 H new ATOM 1234 N GLU A 83 2.101 -6.343 1.364 1.00 0.00 N ATOM 1235 CA GLU A 83 3.492 -6.034 1.248 1.00 0.00 C ATOM 1236 C GLU A 83 3.814 -4.707 1.846 1.00 0.00 C ATOM 1237 O GLU A 83 4.915 -4.559 2.373 1.00 0.00 O ATOM 1238 CB GLU A 83 3.908 -5.949 -0.230 1.00 0.00 C ATOM 1239 CG GLU A 83 5.287 -6.511 -0.581 1.00 0.00 C ATOM 1240 CD GLU A 83 5.305 -6.584 -2.101 1.00 0.00 C ATOM 1241 OE1 GLU A 83 4.716 -7.492 -2.746 1.00 0.00 O ATOM 1242 OE2 GLU A 83 5.816 -5.593 -2.687 1.00 0.00 O ATOM 0 HA GLU A 83 4.023 -6.830 1.770 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.162 -6.476 -0.826 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.878 -4.903 -0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 83 6.083 -5.867 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.438 -7.495 -0.136 1.00 0.00 H new ATOM 1249 N GLU A 84 2.976 -3.671 1.666 1.00 0.00 N ATOM 1250 CA GLU A 84 3.296 -2.321 2.015 1.00 0.00 C ATOM 1251 C GLU A 84 3.312 -2.108 3.489 1.00 0.00 C ATOM 1252 O GLU A 84 4.035 -1.206 3.910 1.00 0.00 O ATOM 1253 CB GLU A 84 2.509 -1.200 1.316 1.00 0.00 C ATOM 1254 CG GLU A 84 2.458 -1.381 -0.202 1.00 0.00 C ATOM 1255 CD GLU A 84 1.872 -0.186 -0.941 1.00 0.00 C ATOM 1256 OE1 GLU A 84 0.679 0.152 -0.718 1.00 0.00 O ATOM 1257 OE2 GLU A 84 2.588 0.358 -1.824 1.00 0.00 O ATOM 0 H GLU A 84 2.044 -3.776 1.264 1.00 0.00 H new ATOM 0 HA GLU A 84 4.303 -2.221 1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.493 -1.173 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.967 -0.239 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.467 -1.566 -0.571 1.00 0.00 H new ATOM 0 HG3 GLU A 84 1.866 -2.266 -0.434 1.00 0.00 H new ATOM 1264 N ILE A 85 2.572 -2.844 4.338 1.00 0.00 N ATOM 1265 CA ILE A 85 2.716 -2.924 5.758 1.00 0.00 C ATOM 1266 C ILE A 85 3.970 -3.608 6.183 1.00 0.00 C ATOM 1267 O ILE A 85 4.685 -3.279 7.128 1.00 0.00 O ATOM 1268 CB ILE A 85 1.500 -3.510 6.412 1.00 0.00 C ATOM 1269 CG1 ILE A 85 1.229 -5.021 6.315 1.00 0.00 C ATOM 1270 CG2 ILE A 85 0.342 -2.660 5.863 1.00 0.00 C ATOM 1271 CD1 ILE A 85 -0.121 -5.295 6.977 1.00 0.00 C ATOM 0 H ILE A 85 1.810 -3.432 4.000 1.00 0.00 H new ATOM 0 HA ILE A 85 2.807 -1.896 6.110 1.00 0.00 H new ATOM 0 HB ILE A 85 1.649 -3.461 7.491 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.216 -5.341 5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 85 2.020 -5.584 6.811 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.599 -3.012 6.285 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.495 -1.616 6.137 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.309 -2.748 4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.342 -6.361 6.924 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.084 -4.983 8.021 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.900 -4.737 6.459 1.00 0.00 H new ATOM 1283 N ARG A 86 4.277 -4.618 5.350 1.00 0.00 N ATOM 1284 CA ARG A 86 5.392 -5.469 5.629 1.00 0.00 C ATOM 1285 C ARG A 86 6.717 -4.795 5.521 1.00 0.00 C ATOM 1286 O ARG A 86 7.591 -4.741 6.385 1.00 0.00 O ATOM 1287 CB ARG A 86 5.304 -6.716 4.733 1.00 0.00 C ATOM 1288 CG ARG A 86 5.841 -7.989 5.390 1.00 0.00 C ATOM 1289 CD ARG A 86 5.243 -9.246 4.755 1.00 0.00 C ATOM 1290 NE ARG A 86 5.639 -9.373 3.324 1.00 0.00 N ATOM 1291 CZ ARG A 86 4.786 -9.576 2.278 1.00 0.00 C ATOM 1292 NH1 ARG A 86 3.424 -9.661 2.286 1.00 0.00 N ATOM 1293 NH2 ARG A 86 5.285 -9.763 1.022 1.00 0.00 N ATOM 0 H ARG A 86 3.764 -4.843 4.498 1.00 0.00 H new ATOM 0 HA ARG A 86 5.328 -5.761 6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.264 -6.876 4.450 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.859 -6.531 3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.927 -8.016 5.299 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.611 -7.974 6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.575 -10.126 5.305 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.156 -9.213 4.832 1.00 0.00 H new ATOM 0 HE ARG A 86 6.633 -9.302 3.108 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.912 -9.568 3.164 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.918 -9.817 1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 86 6.293 -9.751 0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.650 -9.915 0.238 1.00 0.00 H new ATOM 1307 N GLU A 87 6.928 -4.230 4.319 1.00 0.00 N ATOM 1308 CA GLU A 87 8.058 -3.409 4.014 1.00 0.00 C ATOM 1309 C GLU A 87 8.018 -2.104 4.732 1.00 0.00 C ATOM 1310 O GLU A 87 9.096 -1.528 4.869 1.00 0.00 O ATOM 1311 CB GLU A 87 8.289 -3.087 2.528 1.00 0.00 C ATOM 1312 CG GLU A 87 8.614 -4.270 1.613 1.00 0.00 C ATOM 1313 CD GLU A 87 10.034 -4.809 1.531 1.00 0.00 C ATOM 1314 OE1 GLU A 87 10.726 -4.877 2.582 1.00 0.00 O ATOM 1315 OE2 GLU A 87 10.389 -5.216 0.392 1.00 0.00 O ATOM 0 H GLU A 87 6.290 -4.349 3.532 1.00 0.00 H new ATOM 0 HA GLU A 87 8.882 -4.040 4.349 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.396 -2.594 2.143 1.00 0.00 H new ATOM 0 HB3 GLU A 87 9.105 -2.368 2.458 1.00 0.00 H new ATOM 0 HG2 GLU A 87 7.972 -5.097 1.915 1.00 0.00 H new ATOM 0 HG3 GLU A 87 8.317 -3.988 0.603 1.00 0.00 H new ATOM 1322 N ALA A 88 6.901 -1.518 5.198 1.00 0.00 N ATOM 1323 CA ALA A 88 6.844 -0.444 6.141 1.00 0.00 C ATOM 1324 C ALA A 88 7.489 -0.803 7.435 1.00 0.00 C ATOM 1325 O ALA A 88 8.243 0.009 7.968 1.00 0.00 O ATOM 1326 CB ALA A 88 5.430 -0.089 6.628 1.00 0.00 C ATOM 0 H ALA A 88 5.974 -1.816 4.894 1.00 0.00 H new ATOM 0 HA ALA A 88 7.318 0.363 5.583 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.486 0.735 7.339 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.816 0.207 5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.984 -0.957 7.113 1.00 0.00 H new ATOM 1332 N PHE A 89 7.294 -2.023 7.967 1.00 0.00 N ATOM 1333 CA PHE A 89 8.061 -2.413 9.109 1.00 0.00 C ATOM 1334 C PHE A 89 9.546 -2.421 8.983 1.00 0.00 C ATOM 1335 O PHE A 89 10.305 -2.013 9.861 1.00 0.00 O ATOM 1336 CB PHE A 89 7.504 -3.691 9.759 1.00 0.00 C ATOM 1337 CG PHE A 89 7.742 -3.728 11.230 1.00 0.00 C ATOM 1338 CD1 PHE A 89 9.015 -3.983 11.681 1.00 0.00 C ATOM 1339 CD2 PHE A 89 6.777 -3.498 12.183 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.358 -3.944 13.012 1.00 0.00 C ATOM 1341 CE2 PHE A 89 7.109 -3.445 13.516 1.00 0.00 C ATOM 1342 CZ PHE A 89 8.420 -3.521 13.923 1.00 0.00 C ATOM 0 H PHE A 89 6.631 -2.717 7.622 1.00 0.00 H new ATOM 0 HA PHE A 89 7.916 -1.577 9.793 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.434 -3.758 9.565 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.967 -4.563 9.296 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.780 -4.225 10.958 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.750 -3.358 11.881 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.345 -4.240 13.335 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.328 -3.342 14.255 1.00 0.00 H new ATOM 0 HZ PHE A 89 8.705 -3.256 14.930 1.00 0.00 H new ATOM 1352 N ARG A 90 10.012 -3.012 7.869 1.00 0.00 N ATOM 1353 CA ARG A 90 11.396 -3.062 7.512 1.00 0.00 C ATOM 1354 C ARG A 90 12.050 -1.744 7.276 1.00 0.00 C ATOM 1355 O ARG A 90 13.205 -1.473 7.601 1.00 0.00 O ATOM 1356 CB ARG A 90 11.585 -4.043 6.343 1.00 0.00 C ATOM 1357 CG ARG A 90 13.026 -4.343 5.927 1.00 0.00 C ATOM 1358 CD ARG A 90 13.978 -4.931 6.970 1.00 0.00 C ATOM 1359 NE ARG A 90 14.633 -3.851 7.760 1.00 0.00 N ATOM 1360 CZ ARG A 90 15.932 -3.837 8.180 1.00 0.00 C ATOM 1361 NH1 ARG A 90 16.804 -4.775 7.709 1.00 0.00 N ATOM 1362 NH2 ARG A 90 16.413 -2.836 8.974 1.00 0.00 N ATOM 0 H ARG A 90 9.403 -3.472 7.192 1.00 0.00 H new ATOM 0 HA ARG A 90 11.928 -3.431 8.389 1.00 0.00 H new ATOM 0 HB2 ARG A 90 11.104 -4.985 6.607 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.056 -3.647 5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.991 -5.033 5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.466 -3.415 5.562 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.428 -5.593 7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.737 -5.537 6.475 1.00 0.00 H new ATOM 0 HE ARG A 90 14.057 -3.047 8.010 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.484 -5.482 7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 90 17.776 -4.769 8.019 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.798 -2.077 9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.388 -2.847 9.275 1.00 0.00 H new ATOM 1376 N VAL A 91 11.343 -0.748 6.713 1.00 0.00 N ATOM 1377 CA VAL A 91 11.798 0.595 6.528 1.00 0.00 C ATOM 1378 C VAL A 91 11.736 1.266 7.857 1.00 0.00 C ATOM 1379 O VAL A 91 12.659 2.010 8.186 1.00 0.00 O ATOM 1380 CB VAL A 91 11.104 1.311 5.407 1.00 0.00 C ATOM 1381 CG1 VAL A 91 10.934 2.831 5.567 1.00 0.00 C ATOM 1382 CG2 VAL A 91 11.840 1.003 4.092 1.00 0.00 C ATOM 0 H VAL A 91 10.395 -0.890 6.366 1.00 0.00 H new ATOM 0 HA VAL A 91 12.832 0.610 6.183 1.00 0.00 H new ATOM 0 HB VAL A 91 10.083 0.929 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.420 3.233 4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.348 3.039 6.462 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.914 3.299 5.658 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.345 1.518 3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.873 1.344 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 91 11.825 -0.071 3.909 1.00 0.00 H new ATOM 1392 N PHE A 92 10.808 0.965 8.782 1.00 0.00 N ATOM 1393 CA PHE A 92 10.796 1.686 10.017 1.00 0.00 C ATOM 1394 C PHE A 92 11.843 1.152 10.933 1.00 0.00 C ATOM 1395 O PHE A 92 12.472 2.012 11.547 1.00 0.00 O ATOM 1396 CB PHE A 92 9.450 1.529 10.745 1.00 0.00 C ATOM 1397 CG PHE A 92 8.444 2.583 10.436 1.00 0.00 C ATOM 1398 CD1 PHE A 92 7.928 2.833 9.186 1.00 0.00 C ATOM 1399 CD2 PHE A 92 7.999 3.380 11.465 1.00 0.00 C ATOM 1400 CE1 PHE A 92 7.029 3.837 8.914 1.00 0.00 C ATOM 1401 CE2 PHE A 92 7.111 4.401 11.223 1.00 0.00 C ATOM 1402 CZ PHE A 92 6.674 4.670 9.948 1.00 0.00 C ATOM 0 H PHE A 92 10.089 0.248 8.683 1.00 0.00 H new ATOM 0 HA PHE A 92 10.974 2.733 9.773 1.00 0.00 H new ATOM 0 HB2 PHE A 92 9.027 0.557 10.490 1.00 0.00 H new ATOM 0 HB3 PHE A 92 9.633 1.525 11.820 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.248 2.203 8.369 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.350 3.202 12.471 1.00 0.00 H new ATOM 0 HE1 PHE A 92 6.617 3.966 7.924 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.752 5.000 12.046 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.053 5.533 9.759 1.00 0.00 H new ATOM 1412 N ASP A 93 12.005 -0.180 11.021 1.00 0.00 N ATOM 1413 CA ASP A 93 12.998 -0.735 11.888 1.00 0.00 C ATOM 1414 C ASP A 93 14.304 -0.546 11.196 1.00 0.00 C ATOM 1415 O ASP A 93 14.668 -1.172 10.201 1.00 0.00 O ATOM 1416 CB ASP A 93 12.722 -2.234 12.091 1.00 0.00 C ATOM 1417 CG ASP A 93 13.586 -2.851 13.182 1.00 0.00 C ATOM 1418 OD1 ASP A 93 14.564 -2.175 13.600 1.00 0.00 O ATOM 1419 OD2 ASP A 93 13.439 -4.053 13.529 1.00 0.00 O ATOM 0 H ASP A 93 11.457 -0.865 10.500 1.00 0.00 H new ATOM 0 HA ASP A 93 12.995 -0.255 12.867 1.00 0.00 H new ATOM 0 HB2 ASP A 93 11.671 -2.374 12.344 1.00 0.00 H new ATOM 0 HB3 ASP A 93 12.898 -2.761 11.153 1.00 0.00 H new ATOM 1424 N LYS A 94 15.145 0.399 11.652 1.00 0.00 N ATOM 1425 CA LYS A 94 16.454 0.666 11.142 1.00 0.00 C ATOM 1426 C LYS A 94 17.470 -0.395 11.389 1.00 0.00 C ATOM 1427 O LYS A 94 17.928 -0.974 10.405 1.00 0.00 O ATOM 1428 CB LYS A 94 16.879 2.034 11.702 1.00 0.00 C ATOM 1429 CG LYS A 94 18.366 2.326 11.491 1.00 0.00 C ATOM 1430 CD LYS A 94 18.779 3.757 11.840 1.00 0.00 C ATOM 1431 CE LYS A 94 20.050 4.135 11.077 1.00 0.00 C ATOM 1432 NZ LYS A 94 19.728 4.588 9.705 1.00 0.00 N ATOM 0 H LYS A 94 14.895 1.015 12.425 1.00 0.00 H new ATOM 0 HA LYS A 94 16.401 0.678 10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.289 2.816 11.224 1.00 0.00 H new ATOM 0 HB3 LYS A 94 16.654 2.071 12.768 1.00 0.00 H new ATOM 0 HG2 LYS A 94 18.950 1.633 12.096 1.00 0.00 H new ATOM 0 HG3 LYS A 94 18.619 2.130 10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 94 17.975 4.448 11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 94 18.950 3.844 12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 94 20.578 4.925 11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 94 20.721 3.277 11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 20.582 4.981 9.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 19.386 3.782 9.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.990 5.320 9.745 1.00 0.00 H new ATOM 1446 N ASP A 95 17.704 -0.701 12.678 1.00 0.00 N ATOM 1447 CA ASP A 95 18.624 -1.718 13.081 1.00 0.00 C ATOM 1448 C ASP A 95 18.328 -3.132 12.716 1.00 0.00 C ATOM 1449 O ASP A 95 19.186 -3.944 12.370 1.00 0.00 O ATOM 1450 CB ASP A 95 18.746 -1.433 14.587 1.00 0.00 C ATOM 1451 CG ASP A 95 17.377 -1.396 15.251 1.00 0.00 C ATOM 1452 OD1 ASP A 95 16.817 -2.466 15.612 1.00 0.00 O ATOM 1453 OD2 ASP A 95 16.756 -0.302 15.322 1.00 0.00 O ATOM 0 H ASP A 95 17.243 -0.231 13.457 1.00 0.00 H new ATOM 0 HA ASP A 95 19.560 -1.654 12.526 1.00 0.00 H new ATOM 0 HB2 ASP A 95 19.361 -2.201 15.057 1.00 0.00 H new ATOM 0 HB3 ASP A 95 19.254 -0.481 14.740 1.00 0.00 H new ATOM 1458 N GLY A 96 17.003 -3.349 12.647 1.00 0.00 N ATOM 1459 CA GLY A 96 16.468 -4.590 12.181 1.00 0.00 C ATOM 1460 C GLY A 96 16.366 -5.629 13.244 1.00 0.00 C ATOM 1461 O GLY A 96 16.843 -6.753 13.093 1.00 0.00 O ATOM 0 H GLY A 96 16.299 -2.661 12.915 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.478 -4.415 11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.096 -4.967 11.374 1.00 0.00 H new ATOM 1465 N ASN A 97 15.799 -5.253 14.404 1.00 0.00 N ATOM 1466 CA ASN A 97 15.464 -6.157 15.461 1.00 0.00 C ATOM 1467 C ASN A 97 14.146 -6.847 15.531 1.00 0.00 C ATOM 1468 O ASN A 97 14.039 -7.931 16.102 1.00 0.00 O ATOM 1469 CB ASN A 97 15.802 -5.521 16.820 1.00 0.00 C ATOM 1470 CG ASN A 97 14.996 -4.395 17.451 1.00 0.00 C ATOM 1471 OD1 ASN A 97 14.289 -3.645 16.780 1.00 0.00 O ATOM 1472 ND2 ASN A 97 15.010 -4.280 18.806 1.00 0.00 N ATOM 0 H ASN A 97 15.565 -4.283 14.614 1.00 0.00 H new ATOM 0 HA ASN A 97 16.091 -7.004 15.182 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.809 -6.335 17.545 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.826 -5.156 16.740 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.435 -3.573 19.264 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.596 -4.901 19.365 1.00 0.00 H new ATOM 1479 N GLY A 98 13.048 -6.236 15.050 1.00 0.00 N ATOM 1480 CA GLY A 98 11.695 -6.676 15.196 1.00 0.00 C ATOM 1481 C GLY A 98 10.891 -5.573 15.792 1.00 0.00 C ATOM 1482 O GLY A 98 9.666 -5.674 15.853 1.00 0.00 O ATOM 0 H GLY A 98 13.113 -5.368 14.518 1.00 0.00 H new ATOM 0 HA2 GLY A 98 11.285 -6.961 14.227 1.00 0.00 H new ATOM 0 HA3 GLY A 98 11.653 -7.560 15.832 1.00 0.00 H new ATOM 1486 N TYR A 99 11.498 -4.532 16.390 1.00 0.00 N ATOM 1487 CA TYR A 99 10.920 -3.419 17.076 1.00 0.00 C ATOM 1488 C TYR A 99 11.171 -2.076 16.481 1.00 0.00 C ATOM 1489 O TYR A 99 12.206 -1.816 15.869 1.00 0.00 O ATOM 1490 CB TYR A 99 11.217 -3.498 18.584 1.00 0.00 C ATOM 1491 CG TYR A 99 10.765 -4.805 19.137 1.00 0.00 C ATOM 1492 CD1 TYR A 99 9.426 -5.070 19.309 1.00 0.00 C ATOM 1493 CD2 TYR A 99 11.751 -5.674 19.539 1.00 0.00 C ATOM 1494 CE1 TYR A 99 9.119 -6.359 19.674 1.00 0.00 C ATOM 1495 CE2 TYR A 99 11.377 -6.885 20.072 1.00 0.00 C ATOM 1496 CZ TYR A 99 10.054 -7.251 20.144 1.00 0.00 C ATOM 1497 OH TYR A 99 9.668 -8.497 20.683 1.00 0.00 O ATOM 0 H TYR A 99 12.516 -4.467 16.390 1.00 0.00 H new ATOM 0 HA TYR A 99 9.844 -3.519 16.934 1.00 0.00 H new ATOM 0 HB2 TYR A 99 12.286 -3.373 18.757 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.713 -2.683 19.103 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.667 -4.315 19.167 1.00 0.00 H new ATOM 0 HD2 TYR A 99 12.794 -5.412 19.439 1.00 0.00 H new ATOM 0 HE1 TYR A 99 8.094 -6.687 19.587 1.00 0.00 H new ATOM 0 HE2 TYR A 99 12.135 -7.560 20.440 1.00 0.00 H new ATOM 0 HH TYR A 99 10.465 -8.994 20.963 1.00 0.00 H new ATOM 1507 N ILE A 100 10.228 -1.165 16.778 1.00 0.00 N ATOM 1508 CA ILE A 100 10.347 0.239 16.533 1.00 0.00 C ATOM 1509 C ILE A 100 10.328 0.944 17.845 1.00 0.00 C ATOM 1510 O ILE A 100 9.453 0.654 18.659 1.00 0.00 O ATOM 1511 CB ILE A 100 9.224 0.714 15.659 1.00 0.00 C ATOM 1512 CG1 ILE A 100 9.578 0.189 14.257 1.00 0.00 C ATOM 1513 CG2 ILE A 100 9.026 2.237 15.733 1.00 0.00 C ATOM 1514 CD1 ILE A 100 8.337 -0.145 13.430 1.00 0.00 C ATOM 0 H ILE A 100 9.340 -1.420 17.210 1.00 0.00 H new ATOM 0 HA ILE A 100 11.281 0.451 16.013 1.00 0.00 H new ATOM 0 HB ILE A 100 8.254 0.334 15.979 1.00 0.00 H new ATOM 0 HG12 ILE A 100 10.171 0.937 13.731 1.00 0.00 H new ATOM 0 HG13 ILE A 100 10.199 -0.702 14.352 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.202 2.529 15.082 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.798 2.525 16.759 1.00 0.00 H new ATOM 0 HG23 ILE A 100 9.938 2.739 15.410 1.00 0.00 H new ATOM 0 HD11 ILE A 100 8.641 -0.511 12.449 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.756 -0.913 13.940 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.728 0.751 13.310 1.00 0.00 H new ATOM 1526 N SER A 101 11.287 1.804 18.230 1.00 0.00 N ATOM 1527 CA SER A 101 11.090 2.671 19.351 1.00 0.00 C ATOM 1528 C SER A 101 10.759 4.031 18.841 1.00 0.00 C ATOM 1529 O SER A 101 10.798 4.288 17.639 1.00 0.00 O ATOM 1530 CB SER A 101 12.437 2.772 20.087 1.00 0.00 C ATOM 1531 OG SER A 101 13.490 3.364 19.341 1.00 0.00 O ATOM 0 H SER A 101 12.192 1.900 17.770 1.00 0.00 H new ATOM 0 HA SER A 101 10.297 2.298 20.000 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.291 3.349 21.000 1.00 0.00 H new ATOM 0 HB3 SER A 101 12.745 1.770 20.388 1.00 0.00 H new ATOM 0 HG SER A 101 14.304 3.388 19.886 1.00 0.00 H new ATOM 1537 N ALA A 102 10.282 5.006 19.636 1.00 0.00 N ATOM 1538 CA ALA A 102 9.973 6.354 19.275 1.00 0.00 C ATOM 1539 C ALA A 102 11.032 7.163 18.609 1.00 0.00 C ATOM 1540 O ALA A 102 10.704 7.945 17.718 1.00 0.00 O ATOM 1541 CB ALA A 102 9.418 6.951 20.579 1.00 0.00 C ATOM 0 H ALA A 102 10.096 4.831 20.624 1.00 0.00 H new ATOM 0 HA ALA A 102 9.259 6.369 18.451 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.146 7.994 20.415 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.536 6.391 20.889 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.178 6.892 21.358 1.00 0.00 H new ATOM 1547 N ALA A 103 12.321 6.881 18.867 1.00 0.00 N ATOM 1548 CA ALA A 103 13.404 7.379 18.076 1.00 0.00 C ATOM 1549 C ALA A 103 13.481 7.013 16.634 1.00 0.00 C ATOM 1550 O ALA A 103 13.562 7.802 15.693 1.00 0.00 O ATOM 1551 CB ALA A 103 14.780 7.222 18.744 1.00 0.00 C ATOM 0 H ALA A 103 12.619 6.292 19.645 1.00 0.00 H new ATOM 0 HA ALA A 103 13.118 8.430 18.047 1.00 0.00 H new ATOM 0 HB1 ALA A 103 15.552 7.621 18.086 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.790 7.767 19.688 1.00 0.00 H new ATOM 0 HB3 ALA A 103 14.975 6.166 18.932 1.00 0.00 H new ATOM 1557 N GLU A 104 13.336 5.723 16.282 1.00 0.00 N ATOM 1558 CA GLU A 104 13.193 5.160 14.975 1.00 0.00 C ATOM 1559 C GLU A 104 12.070 5.831 14.261 1.00 0.00 C ATOM 1560 O GLU A 104 12.236 6.275 13.126 1.00 0.00 O ATOM 1561 CB GLU A 104 13.037 3.634 14.862 1.00 0.00 C ATOM 1562 CG GLU A 104 14.300 2.962 15.406 1.00 0.00 C ATOM 1563 CD GLU A 104 14.089 1.464 15.576 1.00 0.00 C ATOM 1564 OE1 GLU A 104 14.155 0.738 14.548 1.00 0.00 O ATOM 1565 OE2 GLU A 104 13.762 1.022 16.710 1.00 0.00 O ATOM 0 H GLU A 104 13.317 4.995 16.996 1.00 0.00 H new ATOM 0 HA GLU A 104 14.161 5.350 14.512 1.00 0.00 H new ATOM 0 HB2 GLU A 104 12.163 3.302 15.423 1.00 0.00 H new ATOM 0 HB3 GLU A 104 12.876 3.348 13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 104 15.133 3.141 14.726 1.00 0.00 H new ATOM 0 HG3 GLU A 104 14.569 3.406 16.364 1.00 0.00 H new ATOM 1572 N LEU A 105 10.916 5.968 14.938 1.00 0.00 N ATOM 1573 CA LEU A 105 9.717 6.488 14.358 1.00 0.00 C ATOM 1574 C LEU A 105 9.854 7.906 13.923 1.00 0.00 C ATOM 1575 O LEU A 105 9.246 8.298 12.927 1.00 0.00 O ATOM 1576 CB LEU A 105 8.567 6.155 15.323 1.00 0.00 C ATOM 1577 CG LEU A 105 7.184 6.368 14.685 1.00 0.00 C ATOM 1578 CD1 LEU A 105 6.156 5.327 15.161 1.00 0.00 C ATOM 1579 CD2 LEU A 105 6.564 7.707 15.121 1.00 0.00 C ATOM 0 H LEU A 105 10.814 5.709 15.919 1.00 0.00 H new ATOM 0 HA LEU A 105 9.482 6.011 13.407 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.658 5.119 15.648 1.00 0.00 H new ATOM 0 HB3 LEU A 105 8.653 6.777 16.214 1.00 0.00 H new ATOM 0 HG LEU A 105 7.367 6.309 13.612 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.195 5.519 14.683 1.00 0.00 H new ATOM 0 HD12 LEU A 105 6.500 4.328 14.895 1.00 0.00 H new ATOM 0 HD13 LEU A 105 6.043 5.396 16.243 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.587 7.826 14.652 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.450 7.719 16.205 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.215 8.526 14.815 1.00 0.00 H new ATOM 1591 N ARG A 106 10.754 8.640 14.601 1.00 0.00 N ATOM 1592 CA ARG A 106 11.160 9.966 14.252 1.00 0.00 C ATOM 1593 C ARG A 106 12.150 10.050 13.142 1.00 0.00 C ATOM 1594 O ARG A 106 11.991 10.888 12.256 1.00 0.00 O ATOM 1595 CB ARG A 106 11.779 10.513 15.550 1.00 0.00 C ATOM 1596 CG ARG A 106 11.676 12.036 15.652 1.00 0.00 C ATOM 1597 CD ARG A 106 12.752 12.745 16.476 1.00 0.00 C ATOM 1598 NE ARG A 106 12.300 14.108 16.875 1.00 0.00 N ATOM 1599 CZ ARG A 106 12.231 14.525 18.173 1.00 0.00 C ATOM 1600 NH1 ARG A 106 12.283 13.734 19.284 1.00 0.00 N ATOM 1601 NH2 ARG A 106 12.156 15.839 18.536 1.00 0.00 N ATOM 0 H ARG A 106 11.223 8.290 15.436 1.00 0.00 H new ATOM 0 HA ARG A 106 10.305 10.529 13.878 1.00 0.00 H new ATOM 0 HB2 ARG A 106 11.279 10.060 16.406 1.00 0.00 H new ATOM 0 HB3 ARG A 106 12.827 10.219 15.601 1.00 0.00 H new ATOM 0 HG2 ARG A 106 11.695 12.446 14.642 1.00 0.00 H new ATOM 0 HG3 ARG A 106 10.704 12.283 16.078 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.981 12.158 17.365 1.00 0.00 H new ATOM 0 HD3 ARG A 106 13.672 12.817 15.896 1.00 0.00 H new ATOM 0 HE ARG A 106 12.028 14.762 16.141 1.00 0.00 H new ATOM 0 HH11 ARG A 106 12.383 12.724 19.186 1.00 0.00 H new ATOM 0 HH12 ARG A 106 12.222 14.153 20.212 1.00 0.00 H new ATOM 0 HH21 ARG A 106 12.149 16.566 17.821 1.00 0.00 H new ATOM 0 HH22 ARG A 106 12.106 16.094 19.522 1.00 0.00 H new ATOM 1615 N HIS A 107 13.152 9.153 13.128 1.00 0.00 N ATOM 1616 CA HIS A 107 14.153 9.041 12.113 1.00 0.00 C ATOM 1617 C HIS A 107 13.509 8.777 10.795 1.00 0.00 C ATOM 1618 O HIS A 107 13.908 9.476 9.866 1.00 0.00 O ATOM 1619 CB HIS A 107 15.037 7.812 12.385 1.00 0.00 C ATOM 1620 CG HIS A 107 16.259 7.675 11.525 1.00 0.00 C ATOM 1621 ND1 HIS A 107 17.346 8.525 11.564 1.00 0.00 N ATOM 1622 CD2 HIS A 107 16.583 6.575 10.794 1.00 0.00 C ATOM 1623 CE1 HIS A 107 18.299 7.945 10.786 1.00 0.00 C ATOM 1624 NE2 HIS A 107 17.859 6.794 10.314 1.00 0.00 N ATOM 0 H HIS A 107 13.270 8.464 13.871 1.00 0.00 H new ATOM 0 HA HIS A 107 14.728 9.967 12.111 1.00 0.00 H new ATOM 0 HB2 HIS A 107 15.353 7.840 13.428 1.00 0.00 H new ATOM 0 HB3 HIS A 107 14.428 6.917 12.261 1.00 0.00 H new ATOM 0 HD1 HIS A 107 17.419 9.407 12.072 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.966 5.705 10.623 1.00 0.00 H new ATOM 0 HE1 HIS A 107 19.273 8.365 10.584 1.00 0.00 H new ATOM 1632 N VAL A 108 12.403 8.012 10.758 1.00 0.00 N ATOM 1633 CA VAL A 108 11.595 7.827 9.593 1.00 0.00 C ATOM 1634 C VAL A 108 11.100 9.129 9.065 1.00 0.00 C ATOM 1635 O VAL A 108 11.271 9.455 7.892 1.00 0.00 O ATOM 1636 CB VAL A 108 10.475 6.846 9.777 1.00 0.00 C ATOM 1637 CG1 VAL A 108 9.722 6.722 8.442 1.00 0.00 C ATOM 1638 CG2 VAL A 108 10.914 5.431 10.187 1.00 0.00 C ATOM 0 H VAL A 108 12.058 7.503 11.572 1.00 0.00 H new ATOM 0 HA VAL A 108 12.252 7.380 8.847 1.00 0.00 H new ATOM 0 HB VAL A 108 9.865 7.237 10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 108 8.902 6.013 8.552 1.00 0.00 H new ATOM 0 HG12 VAL A 108 9.324 7.696 8.157 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.406 6.369 7.670 1.00 0.00 H new ATOM 0 HG21 VAL A 108 10.036 4.795 10.296 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.569 5.017 9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.449 5.477 11.136 1.00 0.00 H new ATOM 1648 N MET A 109 10.427 9.933 9.908 1.00 0.00 N ATOM 1649 CA MET A 109 10.063 11.252 9.495 1.00 0.00 C ATOM 1650 C MET A 109 11.149 12.157 9.023 1.00 0.00 C ATOM 1651 O MET A 109 11.092 12.994 8.123 1.00 0.00 O ATOM 1652 CB MET A 109 9.245 11.939 10.602 1.00 0.00 C ATOM 1653 CG MET A 109 7.989 11.135 10.946 1.00 0.00 C ATOM 1654 SD MET A 109 6.450 11.503 10.052 1.00 0.00 S ATOM 1655 CE MET A 109 6.822 10.911 8.376 1.00 0.00 C ATOM 0 H MET A 109 10.141 9.678 10.853 1.00 0.00 H new ATOM 0 HA MET A 109 9.475 11.081 8.594 1.00 0.00 H new ATOM 0 HB2 MET A 109 9.861 12.054 11.494 1.00 0.00 H new ATOM 0 HB3 MET A 109 8.961 12.941 10.279 1.00 0.00 H new ATOM 0 HG2 MET A 109 8.218 10.081 10.791 1.00 0.00 H new ATOM 0 HG3 MET A 109 7.793 11.266 12.010 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.891 10.710 7.846 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.389 11.672 7.839 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.410 9.995 8.436 1.00 0.00 H new ATOM 1665 N THR A 110 12.349 12.122 9.629 1.00 0.00 N ATOM 1666 CA THR A 110 13.497 12.935 9.376 1.00 0.00 C ATOM 1667 C THR A 110 13.967 12.631 7.995 1.00 0.00 C ATOM 1668 O THR A 110 14.286 13.582 7.282 1.00 0.00 O ATOM 1669 CB THR A 110 14.640 12.706 10.319 1.00 0.00 C ATOM 1670 OG1 THR A 110 14.148 12.706 11.651 1.00 0.00 O ATOM 1671 CG2 THR A 110 15.537 13.942 10.141 1.00 0.00 C ATOM 0 H THR A 110 12.531 11.451 10.376 1.00 0.00 H new ATOM 0 HA THR A 110 13.189 13.972 9.511 1.00 0.00 H new ATOM 0 HB THR A 110 15.157 11.765 10.129 1.00 0.00 H new ATOM 0 HG1 THR A 110 13.537 11.950 11.774 1.00 0.00 H new ATOM 0 HG21 THR A 110 16.404 13.860 10.797 1.00 0.00 H new ATOM 0 HG22 THR A 110 15.870 14.004 9.105 1.00 0.00 H new ATOM 0 HG23 THR A 110 14.974 14.840 10.395 1.00 0.00 H new ATOM 1679 N ASN A 111 14.099 11.339 7.646 1.00 0.00 N ATOM 1680 CA ASN A 111 14.460 10.816 6.365 1.00 0.00 C ATOM 1681 C ASN A 111 13.655 11.287 5.202 1.00 0.00 C ATOM 1682 O ASN A 111 14.176 11.718 4.175 1.00 0.00 O ATOM 1683 CB ASN A 111 14.518 9.283 6.479 1.00 0.00 C ATOM 1684 CG ASN A 111 15.759 8.821 5.729 1.00 0.00 C ATOM 1685 OD1 ASN A 111 16.652 9.498 5.221 1.00 0.00 O ATOM 1686 ND2 ASN A 111 15.785 7.462 5.692 1.00 0.00 N ATOM 0 H ASN A 111 13.938 10.594 8.324 1.00 0.00 H new ATOM 0 HA ASN A 111 15.440 11.225 6.119 1.00 0.00 H new ATOM 0 HB2 ASN A 111 14.564 8.977 7.524 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.622 8.832 6.054 1.00 0.00 H new ATOM 0 HD21 ASN A 111 16.558 6.979 5.235 1.00 0.00 H new ATOM 0 HD22 ASN A 111 15.031 6.926 6.121 1.00 0.00 H new ATOM 1693 N LEU A 112 12.334 11.370 5.441 1.00 0.00 N ATOM 1694 CA LEU A 112 11.404 11.912 4.501 1.00 0.00 C ATOM 1695 C LEU A 112 11.270 13.395 4.440 1.00 0.00 C ATOM 1696 O LEU A 112 10.765 13.944 3.462 1.00 0.00 O ATOM 1697 CB LEU A 112 9.976 11.467 4.861 1.00 0.00 C ATOM 1698 CG LEU A 112 9.824 9.938 4.785 1.00 0.00 C ATOM 1699 CD1 LEU A 112 8.486 9.378 5.296 1.00 0.00 C ATOM 1700 CD2 LEU A 112 9.982 9.426 3.343 1.00 0.00 C ATOM 0 H LEU A 112 11.902 11.053 6.309 1.00 0.00 H new ATOM 0 HA LEU A 112 11.812 11.550 3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 112 9.730 11.808 5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 112 9.265 11.938 4.182 1.00 0.00 H new ATOM 0 HG LEU A 112 10.617 9.586 5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 112 8.484 8.292 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.355 9.647 6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 112 7.668 9.797 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 112 9.869 8.342 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 112 9.219 9.880 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 112 10.970 9.693 2.968 1.00 0.00 H new ATOM 1712 N GLY A 113 11.843 14.040 5.472 1.00 0.00 N ATOM 1713 CA GLY A 113 11.857 15.469 5.437 1.00 0.00 C ATOM 1714 C GLY A 113 10.803 16.176 6.217 1.00 0.00 C ATOM 1715 O GLY A 113 10.640 17.395 6.186 1.00 0.00 O ATOM 0 H GLY A 113 12.274 13.604 6.287 1.00 0.00 H new ATOM 0 HA2 GLY A 113 12.829 15.807 5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 113 11.776 15.783 4.396 1.00 0.00 H new ATOM 1719 N GLU A 114 10.042 15.428 7.036 1.00 0.00 N ATOM 1720 CA GLU A 114 9.086 16.041 7.906 1.00 0.00 C ATOM 1721 C GLU A 114 9.721 16.308 9.227 1.00 0.00 C ATOM 1722 O GLU A 114 10.291 15.435 9.881 1.00 0.00 O ATOM 1723 CB GLU A 114 7.964 15.008 8.100 1.00 0.00 C ATOM 1724 CG GLU A 114 7.075 14.698 6.894 1.00 0.00 C ATOM 1725 CD GLU A 114 6.250 15.893 6.437 1.00 0.00 C ATOM 1726 OE1 GLU A 114 5.397 16.467 7.165 1.00 0.00 O ATOM 1727 OE2 GLU A 114 6.472 16.205 5.237 1.00 0.00 O ATOM 0 H GLU A 114 10.087 14.411 7.096 1.00 0.00 H new ATOM 0 HA GLU A 114 8.715 16.979 7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 114 8.419 14.075 8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.323 15.355 8.910 1.00 0.00 H new ATOM 0 HG2 GLU A 114 7.699 14.358 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 114 6.405 13.876 7.146 1.00 0.00 H new ATOM 1734 N LYS A 115 9.643 17.536 9.769 1.00 0.00 N ATOM 1735 CA LYS A 115 10.099 17.776 11.103 1.00 0.00 C ATOM 1736 C LYS A 115 9.095 17.268 12.079 1.00 0.00 C ATOM 1737 O LYS A 115 7.900 17.560 12.038 1.00 0.00 O ATOM 1738 CB LYS A 115 10.525 19.245 11.265 1.00 0.00 C ATOM 1739 CG LYS A 115 11.716 19.805 10.485 1.00 0.00 C ATOM 1740 CD LYS A 115 11.483 20.015 8.987 1.00 0.00 C ATOM 1741 CE LYS A 115 12.632 20.796 8.347 1.00 0.00 C ATOM 1742 NZ LYS A 115 12.553 20.875 6.871 1.00 0.00 N ATOM 0 H LYS A 115 9.268 18.355 9.290 1.00 0.00 H new ATOM 0 HA LYS A 115 11.005 17.211 11.321 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.660 19.859 11.014 1.00 0.00 H new ATOM 0 HB3 LYS A 115 10.732 19.404 12.323 1.00 0.00 H new ATOM 0 HG2 LYS A 115 12.002 20.759 10.928 1.00 0.00 H new ATOM 0 HG3 LYS A 115 12.561 19.129 10.612 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.380 19.048 8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 115 10.547 20.552 8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 115 12.643 21.807 8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.576 20.329 8.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.363 21.418 6.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 12.572 19.915 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 11.668 21.348 6.595 1.00 0.00 H new ATOM 1756 N LEU A 116 9.525 16.413 13.023 1.00 0.00 N ATOM 1757 CA LEU A 116 8.722 15.813 14.043 1.00 0.00 C ATOM 1758 C LEU A 116 9.228 16.277 15.366 1.00 0.00 C ATOM 1759 O LEU A 116 10.400 16.257 15.739 1.00 0.00 O ATOM 1760 CB LEU A 116 8.784 14.277 14.018 1.00 0.00 C ATOM 1761 CG LEU A 116 7.574 13.576 14.659 1.00 0.00 C ATOM 1762 CD1 LEU A 116 6.389 13.761 13.696 1.00 0.00 C ATOM 1763 CD2 LEU A 116 7.842 12.077 14.876 1.00 0.00 C ATOM 0 H LEU A 116 10.501 16.121 13.077 1.00 0.00 H new ATOM 0 HA LEU A 116 7.687 16.108 13.869 1.00 0.00 H new ATOM 0 HB2 LEU A 116 8.872 13.947 12.983 1.00 0.00 H new ATOM 0 HB3 LEU A 116 9.689 13.955 14.533 1.00 0.00 H new ATOM 0 HG LEU A 116 7.367 14.009 15.638 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.504 13.278 14.111 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.192 14.825 13.561 1.00 0.00 H new ATOM 0 HD13 LEU A 116 6.630 13.312 12.732 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.967 11.613 15.330 1.00 0.00 H new ATOM 0 HD22 LEU A 116 8.048 11.602 13.917 1.00 0.00 H new ATOM 0 HD23 LEU A 116 8.702 11.953 15.535 1.00 0.00 H new ATOM 1775 N THR A 117 8.285 16.764 16.192 1.00 0.00 N ATOM 1776 CA THR A 117 8.454 17.103 17.571 1.00 0.00 C ATOM 1777 C THR A 117 8.443 15.892 18.439 1.00 0.00 C ATOM 1778 O THR A 117 7.841 14.864 18.136 1.00 0.00 O ATOM 1779 CB THR A 117 7.585 18.208 18.094 1.00 0.00 C ATOM 1780 OG1 THR A 117 6.192 17.951 18.010 1.00 0.00 O ATOM 1781 CG2 THR A 117 7.749 19.531 17.326 1.00 0.00 C ATOM 0 H THR A 117 7.332 16.933 15.870 1.00 0.00 H new ATOM 0 HA THR A 117 9.449 17.545 17.618 1.00 0.00 H new ATOM 0 HB THR A 117 7.922 18.274 19.128 1.00 0.00 H new ATOM 0 HG1 THR A 117 5.952 17.751 17.081 1.00 0.00 H new ATOM 0 HG21 THR A 117 7.091 20.286 17.757 1.00 0.00 H new ATOM 0 HG22 THR A 117 8.783 19.867 17.397 1.00 0.00 H new ATOM 0 HG23 THR A 117 7.488 19.378 16.279 1.00 0.00 H new ATOM 1789 N ASP A 118 9.122 15.979 19.597 1.00 0.00 N ATOM 1790 CA ASP A 118 9.024 15.094 20.716 1.00 0.00 C ATOM 1791 C ASP A 118 7.606 14.813 21.076 1.00 0.00 C ATOM 1792 O ASP A 118 7.243 13.690 21.420 1.00 0.00 O ATOM 1793 CB ASP A 118 9.799 15.684 21.906 1.00 0.00 C ATOM 1794 CG ASP A 118 11.267 15.875 21.553 1.00 0.00 C ATOM 1795 OD1 ASP A 118 11.591 16.908 20.909 1.00 0.00 O ATOM 1796 OD2 ASP A 118 12.118 14.958 21.702 1.00 0.00 O ATOM 0 H ASP A 118 9.793 16.729 19.762 1.00 0.00 H new ATOM 0 HA ASP A 118 9.470 14.138 20.442 1.00 0.00 H new ATOM 0 HB2 ASP A 118 9.362 16.640 22.192 1.00 0.00 H new ATOM 0 HB3 ASP A 118 9.711 15.022 22.768 1.00 0.00 H new ATOM 1801 N GLU A 119 6.727 15.828 20.988 1.00 0.00 N ATOM 1802 CA GLU A 119 5.365 15.858 21.422 1.00 0.00 C ATOM 1803 C GLU A 119 4.577 15.107 20.406 1.00 0.00 C ATOM 1804 O GLU A 119 3.896 14.121 20.683 1.00 0.00 O ATOM 1805 CB GLU A 119 4.880 17.309 21.583 1.00 0.00 C ATOM 1806 CG GLU A 119 5.745 18.139 22.533 1.00 0.00 C ATOM 1807 CD GLU A 119 5.753 17.546 23.935 1.00 0.00 C ATOM 1808 OE1 GLU A 119 4.624 17.458 24.489 1.00 0.00 O ATOM 1809 OE2 GLU A 119 6.800 17.200 24.545 1.00 0.00 O ATOM 0 H GLU A 119 7.002 16.717 20.570 1.00 0.00 H new ATOM 0 HA GLU A 119 5.245 15.394 22.401 1.00 0.00 H new ATOM 0 HB2 GLU A 119 4.865 17.789 20.605 1.00 0.00 H new ATOM 0 HB3 GLU A 119 3.854 17.302 21.951 1.00 0.00 H new ATOM 0 HG2 GLU A 119 6.765 18.188 22.151 1.00 0.00 H new ATOM 0 HG3 GLU A 119 5.369 19.162 22.571 1.00 0.00 H new ATOM 1816 N GLU A 120 4.758 15.293 19.086 1.00 0.00 N ATOM 1817 CA GLU A 120 4.107 14.493 18.095 1.00 0.00 C ATOM 1818 C GLU A 120 4.537 13.069 18.172 1.00 0.00 C ATOM 1819 O GLU A 120 3.712 12.180 17.966 1.00 0.00 O ATOM 1820 CB GLU A 120 4.426 15.070 16.706 1.00 0.00 C ATOM 1821 CG GLU A 120 3.784 16.443 16.500 1.00 0.00 C ATOM 1822 CD GLU A 120 4.470 17.106 15.314 1.00 0.00 C ATOM 1823 OE1 GLU A 120 5.689 17.413 15.396 1.00 0.00 O ATOM 1824 OE2 GLU A 120 3.679 17.455 14.397 1.00 0.00 O ATOM 0 H GLU A 120 5.368 16.013 18.699 1.00 0.00 H new ATOM 0 HA GLU A 120 3.032 14.517 18.274 1.00 0.00 H new ATOM 0 HB2 GLU A 120 5.506 15.152 16.586 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.071 14.384 15.937 1.00 0.00 H new ATOM 0 HG2 GLU A 120 2.715 16.340 16.314 1.00 0.00 H new ATOM 0 HG3 GLU A 120 3.895 17.054 17.396 1.00 0.00 H new ATOM 1831 N VAL A 121 5.817 12.769 18.456 1.00 0.00 N ATOM 1832 CA VAL A 121 6.198 11.397 18.587 1.00 0.00 C ATOM 1833 C VAL A 121 5.538 10.589 19.651 1.00 0.00 C ATOM 1834 O VAL A 121 5.230 9.411 19.483 1.00 0.00 O ATOM 1835 CB VAL A 121 7.668 11.211 18.351 1.00 0.00 C ATOM 1836 CG1 VAL A 121 8.408 10.961 19.675 1.00 0.00 C ATOM 1837 CG2 VAL A 121 7.903 9.939 17.519 1.00 0.00 C ATOM 0 H VAL A 121 6.565 13.449 18.591 1.00 0.00 H new ATOM 0 HA VAL A 121 5.717 10.875 17.760 1.00 0.00 H new ATOM 0 HB VAL A 121 8.028 12.112 17.854 1.00 0.00 H new ATOM 0 HG11 VAL A 121 9.472 10.829 19.478 1.00 0.00 H new ATOM 0 HG12 VAL A 121 8.265 11.814 20.339 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.013 10.062 20.149 1.00 0.00 H new ATOM 0 HG21 VAL A 121 8.972 9.807 17.350 1.00 0.00 H new ATOM 0 HG22 VAL A 121 7.512 9.075 18.056 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.392 10.032 16.560 1.00 0.00 H new ATOM 1847 N ASP A 122 5.343 11.185 20.841 1.00 0.00 N ATOM 1848 CA ASP A 122 4.570 10.513 21.839 1.00 0.00 C ATOM 1849 C ASP A 122 3.121 10.376 21.523 1.00 0.00 C ATOM 1850 O ASP A 122 2.484 9.389 21.887 1.00 0.00 O ATOM 1851 CB ASP A 122 4.690 11.376 23.107 1.00 0.00 C ATOM 1852 CG ASP A 122 3.976 10.694 24.265 1.00 0.00 C ATOM 1853 OD1 ASP A 122 4.325 9.558 24.683 1.00 0.00 O ATOM 1854 OD2 ASP A 122 3.069 11.382 24.804 1.00 0.00 O ATOM 0 H ASP A 122 5.706 12.100 21.107 1.00 0.00 H new ATOM 0 HA ASP A 122 4.954 9.497 21.932 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.740 11.530 23.355 1.00 0.00 H new ATOM 0 HB3 ASP A 122 4.257 12.361 22.930 1.00 0.00 H new ATOM 1859 N GLU A 123 2.535 11.381 20.847 1.00 0.00 N ATOM 1860 CA GLU A 123 1.254 11.230 20.230 1.00 0.00 C ATOM 1861 C GLU A 123 1.143 10.080 19.289 1.00 0.00 C ATOM 1862 O GLU A 123 0.223 9.269 19.379 1.00 0.00 O ATOM 1863 CB GLU A 123 0.758 12.501 19.520 1.00 0.00 C ATOM 1864 CG GLU A 123 -0.728 12.579 19.166 1.00 0.00 C ATOM 1865 CD GLU A 123 -1.242 13.865 18.534 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -0.503 14.445 17.694 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -2.370 14.327 18.852 1.00 0.00 O ATOM 0 H GLU A 123 2.952 12.304 20.728 1.00 0.00 H new ATOM 0 HA GLU A 123 0.610 11.023 21.084 1.00 0.00 H new ATOM 0 HB2 GLU A 123 0.998 13.355 20.153 1.00 0.00 H new ATOM 0 HB3 GLU A 123 1.329 12.616 18.599 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -0.953 11.758 18.485 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -1.299 12.403 20.078 1.00 0.00 H new ATOM 1874 N MET A 124 2.086 9.896 18.347 1.00 0.00 N ATOM 1875 CA MET A 124 2.239 8.755 17.499 1.00 0.00 C ATOM 1876 C MET A 124 2.516 7.499 18.250 1.00 0.00 C ATOM 1877 O MET A 124 1.961 6.478 17.846 1.00 0.00 O ATOM 1878 CB MET A 124 3.204 9.072 16.344 1.00 0.00 C ATOM 1879 CG MET A 124 2.866 10.224 15.396 1.00 0.00 C ATOM 1880 SD MET A 124 4.086 10.674 14.124 1.00 0.00 S ATOM 1881 CE MET A 124 2.734 11.495 13.232 1.00 0.00 C ATOM 0 H MET A 124 2.798 10.604 18.165 1.00 0.00 H new ATOM 0 HA MET A 124 1.280 8.537 17.029 1.00 0.00 H new ATOM 0 HB2 MET A 124 4.182 9.278 16.778 1.00 0.00 H new ATOM 0 HB3 MET A 124 3.307 8.169 15.742 1.00 0.00 H new ATOM 0 HG2 MET A 124 1.933 9.976 14.890 1.00 0.00 H new ATOM 0 HG3 MET A 124 2.675 11.109 16.002 1.00 0.00 H new ATOM 0 HE1 MET A 124 3.144 12.082 12.410 1.00 0.00 H new ATOM 0 HE2 MET A 124 2.051 10.744 12.836 1.00 0.00 H new ATOM 0 HE3 MET A 124 2.195 12.153 13.914 1.00 0.00 H new ATOM 1891 N ILE A 125 3.331 7.412 19.317 1.00 0.00 N ATOM 1892 CA ILE A 125 3.596 6.243 20.097 1.00 0.00 C ATOM 1893 C ILE A 125 2.363 5.834 20.827 1.00 0.00 C ATOM 1894 O ILE A 125 2.148 4.626 20.911 1.00 0.00 O ATOM 1895 CB ILE A 125 4.777 6.296 21.020 1.00 0.00 C ATOM 1896 CG1 ILE A 125 5.687 5.057 20.987 1.00 0.00 C ATOM 1897 CG2 ILE A 125 4.454 6.715 22.464 1.00 0.00 C ATOM 1898 CD1 ILE A 125 6.313 4.756 19.626 1.00 0.00 C ATOM 0 H ILE A 125 3.844 8.224 19.660 1.00 0.00 H new ATOM 0 HA ILE A 125 3.890 5.489 19.367 1.00 0.00 H new ATOM 0 HB ILE A 125 5.358 7.110 20.587 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.486 5.191 21.717 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.108 4.190 21.304 1.00 0.00 H new ATOM 0 HG21 ILE A 125 5.371 6.724 23.054 1.00 0.00 H new ATOM 0 HG22 ILE A 125 4.013 7.712 22.464 1.00 0.00 H new ATOM 0 HG23 ILE A 125 3.749 6.007 22.899 1.00 0.00 H new ATOM 0 HD11 ILE A 125 6.937 3.866 19.702 1.00 0.00 H new ATOM 0 HD12 ILE A 125 5.525 4.585 18.893 1.00 0.00 H new ATOM 0 HD13 ILE A 125 6.924 5.602 19.312 1.00 0.00 H new ATOM 1910 N ARG A 126 1.515 6.775 21.280 1.00 0.00 N ATOM 1911 CA ARG A 126 0.249 6.530 21.899 1.00 0.00 C ATOM 1912 C ARG A 126 -0.633 5.868 20.897 1.00 0.00 C ATOM 1913 O ARG A 126 -1.376 4.992 21.337 1.00 0.00 O ATOM 1914 CB ARG A 126 -0.390 7.794 22.499 1.00 0.00 C ATOM 1915 CG ARG A 126 -1.764 7.580 23.137 1.00 0.00 C ATOM 1916 CD ARG A 126 -2.975 7.763 22.221 1.00 0.00 C ATOM 1917 NE ARG A 126 -2.950 9.120 21.605 1.00 0.00 N ATOM 1918 CZ ARG A 126 -3.902 9.499 20.703 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -4.782 8.719 20.011 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -3.866 10.811 20.328 1.00 0.00 N ATOM 0 H ARG A 126 1.728 7.770 21.209 1.00 0.00 H new ATOM 0 HA ARG A 126 0.396 5.872 22.756 1.00 0.00 H new ATOM 0 HB2 ARG A 126 0.284 8.202 23.252 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.483 8.544 21.714 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -1.796 6.571 23.548 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.863 8.270 23.975 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.970 7.001 21.442 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -3.895 7.630 22.790 1.00 0.00 H new ATOM 0 HE ARG A 126 -2.211 9.775 21.861 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.778 7.707 20.141 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.443 9.148 19.364 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.159 11.434 20.719 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.546 11.168 19.657 1.00 0.00 H new ATOM 1934 N GLU A 127 -0.571 6.133 19.580 1.00 0.00 N ATOM 1935 CA GLU A 127 -1.397 5.474 18.617 1.00 0.00 C ATOM 1936 C GLU A 127 -0.921 4.073 18.444 1.00 0.00 C ATOM 1937 O GLU A 127 -1.665 3.107 18.281 1.00 0.00 O ATOM 1938 CB GLU A 127 -1.728 6.208 17.306 1.00 0.00 C ATOM 1939 CG GLU A 127 -2.593 7.420 17.654 1.00 0.00 C ATOM 1940 CD GLU A 127 -2.953 8.300 16.465 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -2.226 8.458 15.448 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -3.994 9.008 16.524 1.00 0.00 O ATOM 0 H GLU A 127 0.066 6.819 19.176 1.00 0.00 H new ATOM 0 HA GLU A 127 -2.398 5.478 19.049 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -0.814 6.523 16.803 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -2.257 5.546 16.620 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -3.513 7.071 18.124 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -2.068 8.026 18.392 1.00 0.00 H new ATOM 1949 N ALA A 128 0.409 3.921 18.315 1.00 0.00 N ATOM 1950 CA ALA A 128 1.103 2.715 17.986 1.00 0.00 C ATOM 1951 C ALA A 128 1.296 1.611 18.967 1.00 0.00 C ATOM 1952 O ALA A 128 0.721 0.546 18.749 1.00 0.00 O ATOM 1953 CB ALA A 128 2.389 3.383 17.470 1.00 0.00 C ATOM 0 H ALA A 128 1.048 4.704 18.452 1.00 0.00 H new ATOM 0 HA ALA A 128 0.527 2.071 17.322 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.094 2.616 17.150 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.150 4.030 16.626 1.00 0.00 H new ATOM 0 HB3 ALA A 128 2.836 3.977 18.267 1.00 0.00 H new ATOM 1959 N ASP A 129 2.002 1.883 20.080 1.00 0.00 N ATOM 1960 CA ASP A 129 2.221 1.074 21.238 1.00 0.00 C ATOM 1961 C ASP A 129 0.919 0.628 21.812 1.00 0.00 C ATOM 1962 O ASP A 129 0.019 1.399 22.140 1.00 0.00 O ATOM 1963 CB ASP A 129 3.221 1.689 22.231 1.00 0.00 C ATOM 1964 CG ASP A 129 3.508 0.724 23.372 1.00 0.00 C ATOM 1965 OD1 ASP A 129 3.713 -0.505 23.180 1.00 0.00 O ATOM 1966 OD2 ASP A 129 3.427 1.175 24.546 1.00 0.00 O ATOM 0 H ASP A 129 2.475 2.782 20.174 1.00 0.00 H new ATOM 0 HA ASP A 129 2.735 0.162 20.936 1.00 0.00 H new ATOM 0 HB2 ASP A 129 4.149 1.936 21.715 1.00 0.00 H new ATOM 0 HB3 ASP A 129 2.820 2.621 22.629 1.00 0.00 H new ATOM 1971 N ILE A 130 0.801 -0.689 22.055 1.00 0.00 N ATOM 1972 CA ILE A 130 -0.300 -1.306 22.728 1.00 0.00 C ATOM 1973 C ILE A 130 0.037 -1.707 24.123 1.00 0.00 C ATOM 1974 O ILE A 130 -0.560 -1.252 25.097 1.00 0.00 O ATOM 1975 CB ILE A 130 -1.002 -2.331 21.887 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -1.697 -1.606 20.722 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -1.988 -3.262 22.613 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -2.085 -2.541 19.578 1.00 0.00 C ATOM 0 H ILE A 130 1.513 -1.360 21.766 1.00 0.00 H new ATOM 0 HA ILE A 130 -1.070 -0.547 22.866 1.00 0.00 H new ATOM 0 HB ILE A 130 -0.225 -3.014 21.545 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -2.592 -1.107 21.095 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -1.035 -0.829 20.339 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -2.428 -3.955 21.897 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -1.459 -3.823 23.383 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -2.777 -2.668 23.075 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -2.571 -1.968 18.788 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -1.190 -3.020 19.181 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -2.771 -3.303 19.948 1.00 0.00 H new ATOM 1990 N ASP A 131 0.878 -2.743 24.296 1.00 0.00 N ATOM 1991 CA ASP A 131 1.120 -3.328 25.578 1.00 0.00 C ATOM 1992 C ASP A 131 1.966 -2.560 26.535 1.00 0.00 C ATOM 1993 O ASP A 131 2.620 -3.080 27.437 1.00 0.00 O ATOM 1994 CB ASP A 131 1.567 -4.793 25.447 1.00 0.00 C ATOM 1995 CG ASP A 131 2.981 -4.946 24.905 1.00 0.00 C ATOM 1996 OD1 ASP A 131 3.400 -4.166 24.008 1.00 0.00 O ATOM 1997 OD2 ASP A 131 3.677 -5.825 25.479 1.00 0.00 O ATOM 0 H ASP A 131 1.397 -3.181 23.535 1.00 0.00 H new ATOM 0 HA ASP A 131 0.143 -3.288 26.060 1.00 0.00 H new ATOM 0 HB2 ASP A 131 1.506 -5.273 26.424 1.00 0.00 H new ATOM 0 HB3 ASP A 131 0.875 -5.319 24.790 1.00 0.00 H new ATOM 2002 N GLY A 132 2.067 -1.225 26.408 1.00 0.00 N ATOM 2003 CA GLY A 132 2.624 -0.442 27.467 1.00 0.00 C ATOM 2004 C GLY A 132 4.104 -0.388 27.633 1.00 0.00 C ATOM 2005 O GLY A 132 4.634 0.316 28.490 1.00 0.00 O ATOM 0 H GLY A 132 1.769 -0.695 25.589 1.00 0.00 H new ATOM 0 HA2 GLY A 132 2.271 0.581 27.338 1.00 0.00 H new ATOM 0 HA3 GLY A 132 2.203 -0.809 28.403 1.00 0.00 H new ATOM 2009 N ASP A 133 4.846 -1.005 26.696 1.00 0.00 N ATOM 2010 CA ASP A 133 6.264 -1.165 26.792 1.00 0.00 C ATOM 2011 C ASP A 133 6.996 -0.119 26.024 1.00 0.00 C ATOM 2012 O ASP A 133 8.210 0.009 26.176 1.00 0.00 O ATOM 2013 CB ASP A 133 6.623 -2.626 26.475 1.00 0.00 C ATOM 2014 CG ASP A 133 6.598 -3.100 25.029 1.00 0.00 C ATOM 2015 OD1 ASP A 133 6.073 -2.385 24.133 1.00 0.00 O ATOM 2016 OD2 ASP A 133 7.229 -4.163 24.785 1.00 0.00 O ATOM 0 H ASP A 133 4.448 -1.405 25.846 1.00 0.00 H new ATOM 0 HA ASP A 133 6.608 -0.989 27.811 1.00 0.00 H new ATOM 0 HB2 ASP A 133 7.625 -2.809 26.863 1.00 0.00 H new ATOM 0 HB3 ASP A 133 5.941 -3.261 27.040 1.00 0.00 H new ATOM 2021 N GLY A 134 6.348 0.719 25.195 1.00 0.00 N ATOM 2022 CA GLY A 134 6.815 1.866 24.480 1.00 0.00 C ATOM 2023 C GLY A 134 7.067 1.453 23.071 1.00 0.00 C ATOM 2024 O GLY A 134 6.934 2.334 22.222 1.00 0.00 O ATOM 0 H GLY A 134 5.358 0.565 25.003 1.00 0.00 H new ATOM 0 HA2 GLY A 134 6.076 2.666 24.517 1.00 0.00 H new ATOM 0 HA3 GLY A 134 7.727 2.253 24.933 1.00 0.00 H new ATOM 2028 N GLN A 135 7.600 0.240 22.840 1.00 0.00 N ATOM 2029 CA GLN A 135 8.151 -0.195 21.594 1.00 0.00 C ATOM 2030 C GLN A 135 7.068 -0.818 20.782 1.00 0.00 C ATOM 2031 O GLN A 135 6.088 -1.427 21.208 1.00 0.00 O ATOM 2032 CB GLN A 135 9.402 -1.057 21.831 1.00 0.00 C ATOM 2033 CG GLN A 135 9.110 -2.555 21.938 1.00 0.00 C ATOM 2034 CD GLN A 135 10.267 -3.315 22.571 1.00 0.00 C ATOM 2035 OE1 GLN A 135 11.418 -3.087 22.202 1.00 0.00 O ATOM 2036 NE2 GLN A 135 9.956 -4.183 23.571 1.00 0.00 N ATOM 0 H GLN A 135 7.649 -0.477 23.564 1.00 0.00 H new ATOM 0 HA GLN A 135 8.521 0.640 20.999 1.00 0.00 H new ATOM 0 HB2 GLN A 135 10.106 -0.891 21.015 1.00 0.00 H new ATOM 0 HB3 GLN A 135 9.892 -0.726 22.747 1.00 0.00 H new ATOM 0 HG2 GLN A 135 8.208 -2.708 22.531 1.00 0.00 H new ATOM 0 HG3 GLN A 135 8.911 -2.958 20.945 1.00 0.00 H new ATOM 0 HE21 GLN A 135 8.981 -4.331 23.833 1.00 0.00 H new ATOM 0 HE22 GLN A 135 10.697 -4.686 24.059 1.00 0.00 H new ATOM 2045 N VAL A 136 7.123 -0.612 19.454 1.00 0.00 N ATOM 2046 CA VAL A 136 6.078 -0.943 18.536 1.00 0.00 C ATOM 2047 C VAL A 136 6.484 -2.161 17.780 1.00 0.00 C ATOM 2048 O VAL A 136 7.276 -2.191 16.840 1.00 0.00 O ATOM 2049 CB VAL A 136 5.646 0.165 17.622 1.00 0.00 C ATOM 2050 CG1 VAL A 136 4.290 -0.061 16.932 1.00 0.00 C ATOM 2051 CG2 VAL A 136 5.566 1.497 18.387 1.00 0.00 C ATOM 0 H VAL A 136 7.935 -0.195 18.999 1.00 0.00 H new ATOM 0 HA VAL A 136 5.184 -1.134 19.129 1.00 0.00 H new ATOM 0 HB VAL A 136 6.409 0.188 16.844 1.00 0.00 H new ATOM 0 HG11 VAL A 136 4.061 0.791 16.292 1.00 0.00 H new ATOM 0 HG12 VAL A 136 4.336 -0.967 16.328 1.00 0.00 H new ATOM 0 HG13 VAL A 136 3.511 -0.167 17.687 1.00 0.00 H new ATOM 0 HG21 VAL A 136 5.251 2.289 17.707 1.00 0.00 H new ATOM 0 HG22 VAL A 136 4.844 1.407 19.199 1.00 0.00 H new ATOM 0 HG23 VAL A 136 6.546 1.740 18.798 1.00 0.00 H new ATOM 2061 N ASN A 137 5.832 -3.302 18.066 1.00 0.00 N ATOM 2062 CA ASN A 137 6.043 -4.570 17.438 1.00 0.00 C ATOM 2063 C ASN A 137 5.224 -4.629 16.195 1.00 0.00 C ATOM 2064 O ASN A 137 4.333 -3.807 15.984 1.00 0.00 O ATOM 2065 CB ASN A 137 5.788 -5.761 18.377 1.00 0.00 C ATOM 2066 CG ASN A 137 4.347 -6.167 18.647 1.00 0.00 C ATOM 2067 OD1 ASN A 137 3.432 -6.302 17.836 1.00 0.00 O ATOM 2068 ND2 ASN A 137 4.158 -6.575 19.931 1.00 0.00 N ATOM 0 H ASN A 137 5.109 -3.341 18.784 1.00 0.00 H new ATOM 0 HA ASN A 137 7.097 -4.658 17.175 1.00 0.00 H new ATOM 0 HB2 ASN A 137 6.306 -6.627 17.965 1.00 0.00 H new ATOM 0 HB3 ASN A 137 6.256 -5.536 19.335 1.00 0.00 H new ATOM 0 HD21 ASN A 137 3.267 -6.986 20.210 1.00 0.00 H new ATOM 0 HD22 ASN A 137 4.907 -6.470 20.615 1.00 0.00 H new ATOM 2075 N TYR A 138 5.319 -5.755 15.465 1.00 0.00 N ATOM 2076 CA TYR A 138 4.629 -5.976 14.232 1.00 0.00 C ATOM 2077 C TYR A 138 3.153 -5.773 14.200 1.00 0.00 C ATOM 2078 O TYR A 138 2.696 -4.877 13.492 1.00 0.00 O ATOM 2079 CB TYR A 138 5.033 -7.286 13.535 1.00 0.00 C ATOM 2080 CG TYR A 138 4.623 -7.250 12.102 1.00 0.00 C ATOM 2081 CD1 TYR A 138 5.398 -6.691 11.114 1.00 0.00 C ATOM 2082 CD2 TYR A 138 3.566 -8.015 11.670 1.00 0.00 C ATOM 2083 CE1 TYR A 138 4.951 -6.596 9.817 1.00 0.00 C ATOM 2084 CE2 TYR A 138 3.203 -8.080 10.345 1.00 0.00 C ATOM 2085 CZ TYR A 138 3.896 -7.369 9.394 1.00 0.00 C ATOM 2086 OH TYR A 138 3.574 -7.438 8.022 1.00 0.00 O ATOM 0 H TYR A 138 5.901 -6.544 15.746 1.00 0.00 H new ATOM 0 HA TYR A 138 4.998 -5.132 13.649 1.00 0.00 H new ATOM 0 HB2 TYR A 138 6.111 -7.430 13.610 1.00 0.00 H new ATOM 0 HB3 TYR A 138 4.563 -8.133 14.035 1.00 0.00 H new ATOM 0 HD1 TYR A 138 6.381 -6.318 11.362 1.00 0.00 H new ATOM 0 HD2 TYR A 138 3.002 -8.584 12.395 1.00 0.00 H new ATOM 0 HE1 TYR A 138 5.429 -5.913 9.130 1.00 0.00 H new ATOM 0 HE2 TYR A 138 2.366 -8.695 10.049 1.00 0.00 H new ATOM 0 HH TYR A 138 2.803 -8.029 7.896 1.00 0.00 H new ATOM 2096 N GLU A 139 2.338 -6.412 15.058 1.00 0.00 N ATOM 2097 CA GLU A 139 0.910 -6.334 15.067 1.00 0.00 C ATOM 2098 C GLU A 139 0.427 -5.026 15.592 1.00 0.00 C ATOM 2099 O GLU A 139 -0.601 -4.591 15.075 1.00 0.00 O ATOM 2100 CB GLU A 139 0.383 -7.494 15.929 1.00 0.00 C ATOM 2101 CG GLU A 139 -1.093 -7.823 15.700 1.00 0.00 C ATOM 2102 CD GLU A 139 -1.571 -9.052 16.459 1.00 0.00 C ATOM 2103 OE1 GLU A 139 -1.993 -8.940 17.641 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -1.470 -10.147 15.845 1.00 0.00 O ATOM 0 H GLU A 139 2.700 -7.021 15.792 1.00 0.00 H new ATOM 0 HA GLU A 139 0.536 -6.412 14.046 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.978 -8.384 15.724 1.00 0.00 H new ATOM 0 HB3 GLU A 139 0.530 -7.247 16.980 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -1.697 -6.966 15.997 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -1.261 -7.977 14.634 1.00 0.00 H new ATOM 2111 N GLU A 140 1.068 -4.423 16.609 1.00 0.00 N ATOM 2112 CA GLU A 140 0.911 -3.071 17.049 1.00 0.00 C ATOM 2113 C GLU A 140 1.004 -2.059 15.959 1.00 0.00 C ATOM 2114 O GLU A 140 0.204 -1.133 15.834 1.00 0.00 O ATOM 2115 CB GLU A 140 1.861 -2.715 18.205 1.00 0.00 C ATOM 2116 CG GLU A 140 1.820 -3.750 19.331 1.00 0.00 C ATOM 2117 CD GLU A 140 2.779 -3.387 20.455 1.00 0.00 C ATOM 2118 OE1 GLU A 140 3.987 -3.132 20.199 1.00 0.00 O ATOM 2119 OE2 GLU A 140 2.321 -3.336 21.628 1.00 0.00 O ATOM 0 H GLU A 140 1.755 -4.926 17.171 1.00 0.00 H new ATOM 0 HA GLU A 140 -0.112 -3.026 17.421 1.00 0.00 H new ATOM 0 HB2 GLU A 140 2.879 -2.636 17.824 1.00 0.00 H new ATOM 0 HB3 GLU A 140 1.593 -1.737 18.604 1.00 0.00 H new ATOM 0 HG2 GLU A 140 0.806 -3.821 19.725 1.00 0.00 H new ATOM 0 HG3 GLU A 140 2.078 -4.732 18.934 1.00 0.00 H new ATOM 2126 N PHE A 141 1.957 -2.213 15.023 1.00 0.00 N ATOM 2127 CA PHE A 141 2.195 -1.279 13.967 1.00 0.00 C ATOM 2128 C PHE A 141 1.123 -1.334 12.934 1.00 0.00 C ATOM 2129 O PHE A 141 0.430 -0.376 12.596 1.00 0.00 O ATOM 2130 CB PHE A 141 3.641 -1.620 13.568 1.00 0.00 C ATOM 2131 CG PHE A 141 4.172 -0.717 12.508 1.00 0.00 C ATOM 2132 CD1 PHE A 141 4.518 0.597 12.719 1.00 0.00 C ATOM 2133 CD2 PHE A 141 4.404 -1.273 11.272 1.00 0.00 C ATOM 2134 CE1 PHE A 141 5.115 1.344 11.732 1.00 0.00 C ATOM 2135 CE2 PHE A 141 4.889 -0.455 10.280 1.00 0.00 C ATOM 2136 CZ PHE A 141 5.169 0.882 10.438 1.00 0.00 C ATOM 0 H PHE A 141 2.585 -3.017 15.001 1.00 0.00 H new ATOM 0 HA PHE A 141 2.132 -0.220 14.216 1.00 0.00 H new ATOM 0 HB2 PHE A 141 4.281 -1.557 14.448 1.00 0.00 H new ATOM 0 HB3 PHE A 141 3.683 -2.651 13.216 1.00 0.00 H new ATOM 0 HD1 PHE A 141 4.317 1.050 13.678 1.00 0.00 H new ATOM 0 HD2 PHE A 141 4.211 -2.319 11.087 1.00 0.00 H new ATOM 0 HE1 PHE A 141 5.546 2.304 11.975 1.00 0.00 H new ATOM 0 HE2 PHE A 141 5.062 -0.893 9.308 1.00 0.00 H new ATOM 0 HZ PHE A 141 5.414 1.524 9.605 1.00 0.00 H new ATOM 2146 N VAL A 142 0.731 -2.558 12.539 1.00 0.00 N ATOM 2147 CA VAL A 142 -0.272 -2.939 11.594 1.00 0.00 C ATOM 2148 C VAL A 142 -1.630 -2.408 11.895 1.00 0.00 C ATOM 2149 O VAL A 142 -2.227 -1.702 11.083 1.00 0.00 O ATOM 2150 CB VAL A 142 -0.220 -4.420 11.362 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -1.380 -4.987 10.527 1.00 0.00 C ATOM 2152 CG2 VAL A 142 1.100 -4.702 10.625 1.00 0.00 C ATOM 0 H VAL A 142 1.178 -3.384 12.937 1.00 0.00 H new ATOM 0 HA VAL A 142 -0.037 -2.452 10.647 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.298 -4.908 12.334 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -1.254 -6.064 10.414 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -2.325 -4.783 11.031 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -1.384 -4.517 9.544 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.187 -5.771 10.431 1.00 0.00 H new ATOM 0 HG22 VAL A 142 1.112 -4.160 9.680 1.00 0.00 H new ATOM 0 HG23 VAL A 142 1.938 -4.375 11.241 1.00 0.00 H new ATOM 2162 N GLN A 143 -2.154 -2.621 13.116 1.00 0.00 N ATOM 2163 CA GLN A 143 -3.388 -2.081 13.597 1.00 0.00 C ATOM 2164 C GLN A 143 -3.465 -0.593 13.637 1.00 0.00 C ATOM 2165 O GLN A 143 -4.497 0.042 13.431 1.00 0.00 O ATOM 2166 CB GLN A 143 -3.646 -2.767 14.949 1.00 0.00 C ATOM 2167 CG GLN A 143 -4.998 -2.383 15.556 1.00 0.00 C ATOM 2168 CD GLN A 143 -5.141 -2.827 17.004 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -5.692 -2.023 17.755 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -4.837 -4.116 17.311 1.00 0.00 N ATOM 0 H GLN A 143 -1.687 -3.206 13.809 1.00 0.00 H new ATOM 0 HA GLN A 143 -4.188 -2.298 12.889 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -3.605 -3.848 14.817 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -2.851 -2.500 15.645 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -5.123 -1.302 15.498 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -5.797 -2.829 14.963 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -4.378 -4.710 16.621 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -5.068 -4.489 18.232 1.00 0.00 H new ATOM 2179 N MET A 144 -2.336 0.105 13.855 1.00 0.00 N ATOM 2180 CA MET A 144 -2.251 1.532 13.840 1.00 0.00 C ATOM 2181 C MET A 144 -2.357 2.070 12.455 1.00 0.00 C ATOM 2182 O MET A 144 -2.941 3.135 12.259 1.00 0.00 O ATOM 2183 CB MET A 144 -1.004 1.951 14.637 1.00 0.00 C ATOM 2184 CG MET A 144 -0.518 3.401 14.598 1.00 0.00 C ATOM 2185 SD MET A 144 0.602 3.839 13.234 1.00 0.00 S ATOM 2186 CE MET A 144 2.075 2.866 13.662 1.00 0.00 C ATOM 0 H MET A 144 -1.442 -0.346 14.050 1.00 0.00 H new ATOM 0 HA MET A 144 -3.103 1.989 14.343 1.00 0.00 H new ATOM 0 HB2 MET A 144 -1.188 1.700 15.682 1.00 0.00 H new ATOM 0 HB3 MET A 144 -0.179 1.324 14.299 1.00 0.00 H new ATOM 0 HG2 MET A 144 -1.390 4.053 14.547 1.00 0.00 H new ATOM 0 HG3 MET A 144 -0.012 3.618 15.539 1.00 0.00 H new ATOM 0 HE1 MET A 144 2.971 3.412 13.365 1.00 0.00 H new ATOM 0 HE2 MET A 144 2.096 2.692 14.738 1.00 0.00 H new ATOM 0 HE3 MET A 144 2.043 1.909 13.141 1.00 0.00 H new ATOM 2196 N MET A 145 -1.903 1.360 11.406 1.00 0.00 N ATOM 2197 CA MET A 145 -2.042 1.722 10.030 1.00 0.00 C ATOM 2198 C MET A 145 -3.384 1.295 9.543 1.00 0.00 C ATOM 2199 O MET A 145 -3.914 1.833 8.572 1.00 0.00 O ATOM 2200 CB MET A 145 -0.836 0.957 9.459 1.00 0.00 C ATOM 2201 CG MET A 145 0.489 1.666 9.743 1.00 0.00 C ATOM 2202 SD MET A 145 1.934 1.204 8.741 1.00 0.00 S ATOM 2203 CE MET A 145 1.635 -0.570 8.989 1.00 0.00 C ATOM 0 H MET A 145 -1.407 0.477 11.528 1.00 0.00 H new ATOM 0 HA MET A 145 -2.022 2.778 9.761 1.00 0.00 H new ATOM 0 HB2 MET A 145 -0.808 -0.045 9.887 1.00 0.00 H new ATOM 0 HB3 MET A 145 -0.959 0.840 8.382 1.00 0.00 H new ATOM 0 HG2 MET A 145 0.327 2.737 9.623 1.00 0.00 H new ATOM 0 HG3 MET A 145 0.741 1.497 10.790 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.530 -1.131 8.720 1.00 0.00 H new ATOM 0 HE2 MET A 145 1.391 -0.755 10.035 1.00 0.00 H new ATOM 0 HE3 MET A 145 0.804 -0.890 8.361 1.00 0.00 H new