USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 807 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 20 LYS NZ :NH3+ 179:sc= 0.0109 (180deg=0) USER MOD Set 1.2: A 54 THR OG1 : rot -160:sc= 0.0102 USER MOD Set 2.1: A 23 CYS SG : rot 180:sc= -0.0579 USER MOD Set 2.2: A 26 CYS SG : rot 77:sc= -0.697 USER MOD Set 3.1: A 7 ASN : amide:sc=-0.00638 K(o=-0.0064,f=-0.72) USER MOD Set 3.2: A 60 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -146:sc= 0.817 (180deg=0.00588) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.108 K(o=-0.11,f=-2.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.123 K(o=-0.12,f=-2.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.28 K(o=-1.3,f=-1.8) USER MOD Single : A 49 THR OG1 : rot -39:sc= -0.0611 USER MOD Single : A 53 HIS : no HD1:sc= -0.862 K(o=-0.86,f=-0.29) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.0688 K(o=-0.069,f=-2.8!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 63 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 65 THR OG1 : rot -53:sc= 0.274 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 19:sc= 0.38 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.068) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot -32:sc= 0.459 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.023 USER MOD Single : A 100 LYS NZ :NH3+ -165:sc= -0.107 (180deg=-0.979!) USER MOD Single : A 101 GLN : amide:sc= 0.347 K(o=0.35,f=-4.2!) USER MOD Single : A 106 GLN : amide:sc= -0.0259 K(o=-0.026,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 45 N PHE A 5 -0.059 10.511 -10.148 1.00 0.00 N ATOM 46 CA PHE A 5 1.068 9.684 -9.699 1.00 0.00 C ATOM 47 C PHE A 5 0.581 8.404 -9.031 1.00 0.00 C ATOM 48 O PHE A 5 0.996 7.312 -9.398 1.00 0.00 O ATOM 49 CB PHE A 5 1.966 10.476 -8.740 1.00 0.00 C ATOM 50 CG PHE A 5 3.137 9.695 -8.166 1.00 0.00 C ATOM 51 CD1 PHE A 5 4.266 9.425 -8.964 1.00 0.00 C ATOM 52 CD2 PHE A 5 3.112 9.251 -6.828 1.00 0.00 C ATOM 53 CE1 PHE A 5 5.363 8.727 -8.429 1.00 0.00 C ATOM 54 CE2 PHE A 5 4.215 8.563 -6.291 1.00 0.00 C ATOM 55 CZ PHE A 5 5.338 8.297 -7.091 1.00 0.00 C ATOM 0 HA PHE A 5 1.650 9.406 -10.578 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.353 11.349 -9.266 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.356 10.845 -7.916 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.289 9.756 -9.992 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.244 9.440 -6.214 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.225 8.521 -9.046 1.00 0.00 H new ATOM 0 HE2 PHE A 5 4.198 8.239 -5.261 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.181 7.763 -6.679 1.00 0.00 H new ATOM 65 N VAL A 6 -0.354 8.532 -8.088 1.00 0.00 N ATOM 66 CA VAL A 6 -0.920 7.380 -7.399 1.00 0.00 C ATOM 67 C VAL A 6 -1.677 6.490 -8.386 1.00 0.00 C ATOM 68 O VAL A 6 -1.501 5.271 -8.381 1.00 0.00 O ATOM 69 CB VAL A 6 -1.813 7.854 -6.235 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.699 6.734 -5.669 1.00 0.00 C ATOM 71 CG2 VAL A 6 -0.960 8.436 -5.100 1.00 0.00 C ATOM 0 H VAL A 6 -0.734 9.429 -7.786 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.118 6.776 -6.974 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.466 8.623 -6.648 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.305 7.127 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.352 6.354 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.070 5.925 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.609 8.765 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.276 7.672 -4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.388 9.285 -5.474 1.00 0.00 H new ATOM 81 N ASN A 7 -2.556 7.080 -9.195 1.00 0.00 N ATOM 82 CA ASN A 7 -3.485 6.321 -10.021 1.00 0.00 C ATOM 83 C ASN A 7 -2.711 5.498 -11.052 1.00 0.00 C ATOM 84 O ASN A 7 -2.909 4.291 -11.180 1.00 0.00 O ATOM 85 CB ASN A 7 -4.502 7.261 -10.682 1.00 0.00 C ATOM 86 CG ASN A 7 -5.817 6.549 -10.982 1.00 0.00 C ATOM 87 OD1 ASN A 7 -5.919 5.324 -11.012 1.00 0.00 O ATOM 88 ND2 ASN A 7 -6.882 7.307 -11.144 1.00 0.00 N ATOM 0 H ASN A 7 -2.642 8.092 -9.294 1.00 0.00 H new ATOM 0 HA ASN A 7 -4.046 5.627 -9.395 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.690 8.112 -10.027 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.083 7.657 -11.607 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.795 6.878 -11.295 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.794 8.323 -11.118 1.00 0.00 H new ATOM 95 N CYS A 8 -1.755 6.154 -11.710 1.00 0.00 N ATOM 96 CA CYS A 8 -0.837 5.610 -12.696 1.00 0.00 C ATOM 97 C CYS A 8 0.339 4.853 -12.047 1.00 0.00 C ATOM 98 O CYS A 8 1.324 4.550 -12.726 1.00 0.00 O ATOM 99 CB CYS A 8 -0.343 6.780 -13.564 1.00 0.00 C ATOM 100 SG CYS A 8 0.120 6.198 -15.216 1.00 0.00 S ATOM 0 H CYS A 8 -1.595 7.149 -11.553 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.355 4.872 -13.309 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -1.125 7.535 -13.645 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.513 7.257 -13.087 1.00 0.00 H new ATOM 0 HG CYS A 8 0.532 7.203 -15.931 1.00 0.00 H new ATOM 106 N LYS A 9 0.305 4.588 -10.737 1.00 0.00 N ATOM 107 CA LYS A 9 1.212 3.653 -10.072 1.00 0.00 C ATOM 108 C LYS A 9 0.467 2.379 -9.712 1.00 0.00 C ATOM 109 O LYS A 9 1.071 1.310 -9.773 1.00 0.00 O ATOM 110 CB LYS A 9 1.855 4.288 -8.828 1.00 0.00 C ATOM 111 CG LYS A 9 3.098 5.126 -9.172 1.00 0.00 C ATOM 112 CD LYS A 9 4.352 4.251 -9.308 1.00 0.00 C ATOM 113 CE LYS A 9 5.582 5.095 -9.642 1.00 0.00 C ATOM 114 NZ LYS A 9 5.615 5.468 -11.066 1.00 0.00 N ATOM 0 H LYS A 9 -0.363 5.024 -10.102 1.00 0.00 H new ATOM 0 HA LYS A 9 2.019 3.404 -10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.122 4.920 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 9 2.133 3.502 -8.125 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.927 5.665 -10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.259 5.874 -8.396 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.522 3.708 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.196 3.506 -10.088 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.582 5.997 -9.029 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.485 4.538 -9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.463 6.040 -11.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.640 4.608 -11.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.766 6.021 -11.300 1.00 0.00 H new ATOM 128 N ILE A 10 -0.819 2.447 -9.351 1.00 0.00 N ATOM 129 CA ILE A 10 -1.565 1.234 -9.070 1.00 0.00 C ATOM 130 C ILE A 10 -1.661 0.401 -10.349 1.00 0.00 C ATOM 131 O ILE A 10 -1.810 0.920 -11.458 1.00 0.00 O ATOM 132 CB ILE A 10 -2.955 1.593 -8.529 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.860 2.400 -7.217 1.00 0.00 C ATOM 134 CG2 ILE A 10 -3.804 0.348 -8.243 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.962 3.448 -7.165 1.00 0.00 C ATOM 0 H ILE A 10 -1.348 3.313 -9.250 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.054 0.644 -8.309 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.427 2.189 -9.309 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.945 1.729 -6.362 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.885 2.883 -7.148 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.779 0.652 -7.862 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.936 -0.222 -9.163 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.302 -0.272 -7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.885 4.011 -6.235 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.858 4.128 -8.011 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.934 2.957 -7.212 1.00 0.00 H new ATOM 147 N GLN A 11 -1.691 -0.914 -10.168 1.00 0.00 N ATOM 148 CA GLN A 11 -2.194 -1.844 -11.151 1.00 0.00 C ATOM 149 C GLN A 11 -3.067 -2.845 -10.381 1.00 0.00 C ATOM 150 O GLN A 11 -2.701 -3.220 -9.262 1.00 0.00 O ATOM 151 CB GLN A 11 -0.988 -2.462 -11.870 1.00 0.00 C ATOM 152 CG GLN A 11 -1.369 -3.295 -13.093 1.00 0.00 C ATOM 153 CD GLN A 11 -0.141 -3.549 -13.956 1.00 0.00 C ATOM 154 OE1 GLN A 11 0.141 -2.798 -14.886 1.00 0.00 O ATOM 155 NE2 GLN A 11 0.638 -4.570 -13.665 1.00 0.00 N ATOM 0 H GLN A 11 -1.358 -1.364 -9.315 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.811 -1.396 -11.930 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.312 -1.665 -12.179 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.440 -3.091 -11.168 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.803 -4.243 -12.776 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.130 -2.775 -13.674 1.00 0.00 H new ATOM 0 HE21 GLN A 11 0.398 -5.190 -12.891 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.481 -4.741 -14.213 1.00 0.00 H new ATOM 164 N PRO A 12 -4.230 -3.259 -10.909 1.00 0.00 N ATOM 165 CA PRO A 12 -4.956 -4.407 -10.379 1.00 0.00 C ATOM 166 C PRO A 12 -4.097 -5.666 -10.549 1.00 0.00 C ATOM 167 O PRO A 12 -3.171 -5.695 -11.359 1.00 0.00 O ATOM 168 CB PRO A 12 -6.259 -4.478 -11.174 1.00 0.00 C ATOM 169 CG PRO A 12 -5.865 -3.850 -12.505 1.00 0.00 C ATOM 170 CD PRO A 12 -4.865 -2.772 -12.120 1.00 0.00 C ATOM 0 HA PRO A 12 -5.176 -4.321 -9.315 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -6.605 -5.504 -11.296 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.063 -3.926 -10.687 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.421 -4.584 -13.177 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -6.729 -3.428 -13.019 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.133 -2.612 -12.912 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.362 -1.817 -11.948 1.00 0.00 H new ATOM 178 N GLY A 13 -4.367 -6.704 -9.764 1.00 0.00 N ATOM 179 CA GLY A 13 -3.514 -7.887 -9.702 1.00 0.00 C ATOM 180 C GLY A 13 -2.075 -7.583 -9.257 1.00 0.00 C ATOM 181 O GLY A 13 -1.187 -8.415 -9.454 1.00 0.00 O ATOM 0 H GLY A 13 -5.183 -6.749 -9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.955 -8.607 -9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.490 -8.360 -10.684 1.00 0.00 H new ATOM 185 N LYS A 14 -1.830 -6.419 -8.649 1.00 0.00 N ATOM 186 CA LYS A 14 -0.579 -6.010 -8.025 1.00 0.00 C ATOM 187 C LYS A 14 -0.906 -5.421 -6.656 1.00 0.00 C ATOM 188 O LYS A 14 -2.036 -4.975 -6.439 1.00 0.00 O ATOM 189 CB LYS A 14 0.135 -4.978 -8.925 1.00 0.00 C ATOM 190 CG LYS A 14 1.633 -5.281 -9.028 1.00 0.00 C ATOM 191 CD LYS A 14 2.508 -4.046 -9.278 1.00 0.00 C ATOM 192 CE LYS A 14 2.424 -3.506 -10.712 1.00 0.00 C ATOM 193 NZ LYS A 14 3.737 -3.549 -11.380 1.00 0.00 N ATOM 0 H LYS A 14 -2.547 -5.697 -8.578 1.00 0.00 H new ATOM 0 HA LYS A 14 0.092 -6.860 -7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.311 -4.988 -9.920 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.010 -3.976 -8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.959 -5.763 -8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.793 -5.996 -9.835 1.00 0.00 H new ATOM 0 HD2 LYS A 14 2.214 -3.258 -8.585 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.545 -4.296 -9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.704 -4.094 -11.282 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.056 -2.480 -10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 3.825 -2.738 -12.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 4.492 -3.507 -10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.822 -4.433 -11.922 1.00 0.00 H new ATOM 207 N VAL A 15 0.044 -5.412 -5.726 1.00 0.00 N ATOM 208 CA VAL A 15 -0.127 -4.819 -4.410 1.00 0.00 C ATOM 209 C VAL A 15 0.697 -3.539 -4.369 1.00 0.00 C ATOM 210 O VAL A 15 1.915 -3.602 -4.272 1.00 0.00 O ATOM 211 CB VAL A 15 0.321 -5.814 -3.328 1.00 0.00 C ATOM 212 CG1 VAL A 15 -0.038 -5.242 -1.956 1.00 0.00 C ATOM 213 CG2 VAL A 15 -0.284 -7.208 -3.522 1.00 0.00 C ATOM 0 H VAL A 15 0.966 -5.823 -5.870 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.174 -4.582 -4.218 1.00 0.00 H new ATOM 0 HB VAL A 15 1.400 -5.945 -3.406 1.00 0.00 H new ATOM 0 HG11 VAL A 15 0.275 -5.939 -1.178 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.471 -4.288 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.116 -5.091 -1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.066 -7.870 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.371 -7.141 -3.485 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.022 -7.606 -4.489 1.00 0.00 H new ATOM 223 N VAL A 16 0.067 -2.375 -4.455 1.00 0.00 N ATOM 224 CA VAL A 16 0.790 -1.118 -4.556 1.00 0.00 C ATOM 225 C VAL A 16 0.607 -0.360 -3.252 1.00 0.00 C ATOM 226 O VAL A 16 -0.519 -0.177 -2.793 1.00 0.00 O ATOM 227 CB VAL A 16 0.361 -0.364 -5.820 1.00 0.00 C ATOM 228 CG1 VAL A 16 1.185 0.917 -5.953 1.00 0.00 C ATOM 229 CG2 VAL A 16 0.608 -1.271 -7.041 1.00 0.00 C ATOM 0 H VAL A 16 -0.948 -2.277 -4.457 1.00 0.00 H new ATOM 0 HA VAL A 16 1.862 -1.269 -4.679 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.695 -0.102 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.881 1.454 -6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.020 1.548 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.243 0.664 -6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.307 -0.748 -7.949 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.667 -1.521 -7.100 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.024 -2.186 -6.939 1.00 0.00 H new ATOM 239 N VAL A 17 1.707 0.036 -2.618 1.00 0.00 N ATOM 240 CA VAL A 17 1.688 0.526 -1.252 1.00 0.00 C ATOM 241 C VAL A 17 2.393 1.867 -1.203 1.00 0.00 C ATOM 242 O VAL A 17 3.592 1.966 -1.453 1.00 0.00 O ATOM 243 CB VAL A 17 2.270 -0.533 -0.301 1.00 0.00 C ATOM 244 CG1 VAL A 17 2.183 -0.069 1.160 1.00 0.00 C ATOM 245 CG2 VAL A 17 1.515 -1.860 -0.483 1.00 0.00 C ATOM 0 H VAL A 17 2.635 0.024 -3.041 1.00 0.00 H new ATOM 0 HA VAL A 17 0.668 0.695 -0.906 1.00 0.00 H new ATOM 0 HB VAL A 17 3.322 -0.678 -0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.601 -0.837 1.811 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.746 0.856 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.140 0.103 1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.929 -2.609 0.192 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.459 -1.712 -0.257 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.621 -2.201 -1.513 1.00 0.00 H new ATOM 255 N PHE A 18 1.616 2.909 -0.932 1.00 0.00 N ATOM 256 CA PHE A 18 2.085 4.282 -0.964 1.00 0.00 C ATOM 257 C PHE A 18 2.699 4.590 0.394 1.00 0.00 C ATOM 258 O PHE A 18 2.057 4.325 1.417 1.00 0.00 O ATOM 259 CB PHE A 18 0.914 5.200 -1.331 1.00 0.00 C ATOM 260 CG PHE A 18 0.475 4.918 -2.747 1.00 0.00 C ATOM 261 CD1 PHE A 18 -0.432 3.877 -3.035 1.00 0.00 C ATOM 262 CD2 PHE A 18 1.123 5.598 -3.789 1.00 0.00 C ATOM 263 CE1 PHE A 18 -0.710 3.544 -4.373 1.00 0.00 C ATOM 264 CE2 PHE A 18 0.841 5.268 -5.118 1.00 0.00 C ATOM 265 CZ PHE A 18 -0.084 4.257 -5.411 1.00 0.00 C ATOM 0 H PHE A 18 0.631 2.819 -0.681 1.00 0.00 H new ATOM 0 HA PHE A 18 2.852 4.444 -1.721 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.084 5.040 -0.643 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.212 6.244 -1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.911 3.338 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.839 6.375 -3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.400 2.745 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.337 5.793 -5.921 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.317 4.024 -6.439 1.00 0.00 H new ATOM 275 N ILE A 19 3.940 5.076 0.397 1.00 0.00 N ATOM 276 CA ILE A 19 4.803 5.163 1.573 1.00 0.00 C ATOM 277 C ILE A 19 5.664 6.430 1.543 1.00 0.00 C ATOM 278 O ILE A 19 5.580 7.238 0.618 1.00 0.00 O ATOM 279 CB ILE A 19 5.722 3.913 1.659 1.00 0.00 C ATOM 280 CG1 ILE A 19 6.605 3.726 0.399 1.00 0.00 C ATOM 281 CG2 ILE A 19 4.920 2.644 1.945 1.00 0.00 C ATOM 282 CD1 ILE A 19 8.099 3.667 0.734 1.00 0.00 C ATOM 0 H ILE A 19 4.387 5.432 -0.448 1.00 0.00 H new ATOM 0 HA ILE A 19 4.160 5.205 2.452 1.00 0.00 H new ATOM 0 HB ILE A 19 6.395 4.093 2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.314 2.808 -0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.423 4.548 -0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.596 1.791 1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.396 2.751 2.895 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.195 2.484 1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 19 8.673 3.535 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.400 4.595 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.289 2.829 1.404 1.00 0.00 H new ATOM 294 N LYS A 20 6.504 6.590 2.563 1.00 0.00 N ATOM 295 CA LYS A 20 7.532 7.613 2.701 1.00 0.00 C ATOM 296 C LYS A 20 8.771 6.930 3.301 1.00 0.00 C ATOM 297 O LYS A 20 8.638 5.851 3.897 1.00 0.00 O ATOM 298 CB LYS A 20 7.004 8.823 3.506 1.00 0.00 C ATOM 299 CG LYS A 20 5.641 8.669 4.215 1.00 0.00 C ATOM 300 CD LYS A 20 5.157 9.981 4.846 1.00 0.00 C ATOM 301 CE LYS A 20 4.627 10.916 3.746 1.00 0.00 C ATOM 302 NZ LYS A 20 3.985 12.128 4.290 1.00 0.00 N ATOM 0 H LYS A 20 6.481 5.965 3.368 1.00 0.00 H new ATOM 0 HA LYS A 20 7.816 8.042 1.740 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.749 9.075 4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.936 9.674 2.828 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.899 8.319 3.497 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.721 7.905 4.988 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.372 9.778 5.575 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.975 10.461 5.383 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.451 11.207 3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.909 10.375 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.661 12.731 3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.171 11.856 4.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.670 12.653 4.870 1.00 0.00 H new ATOM 316 N PRO A 21 9.975 7.512 3.180 1.00 0.00 N ATOM 317 CA PRO A 21 11.212 6.827 3.520 1.00 0.00 C ATOM 318 C PRO A 21 11.474 6.850 5.029 1.00 0.00 C ATOM 319 O PRO A 21 12.297 6.076 5.520 1.00 0.00 O ATOM 320 CB PRO A 21 12.305 7.600 2.774 1.00 0.00 C ATOM 321 CG PRO A 21 11.769 9.030 2.736 1.00 0.00 C ATOM 322 CD PRO A 21 10.261 8.820 2.620 1.00 0.00 C ATOM 0 HA PRO A 21 11.176 5.774 3.239 1.00 0.00 H new ATOM 0 HB2 PRO A 21 13.262 7.544 3.293 1.00 0.00 H new ATOM 0 HB3 PRO A 21 12.463 7.204 1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.032 9.585 3.636 1.00 0.00 H new ATOM 0 HG3 PRO A 21 12.166 9.589 1.889 1.00 0.00 H new ATOM 0 HD2 PRO A 21 9.720 9.598 3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.942 8.873 1.579 1.00 0.00 H new ATOM 330 N THR A 22 10.803 7.734 5.766 1.00 0.00 N ATOM 331 CA THR A 22 11.125 8.162 7.122 1.00 0.00 C ATOM 332 C THR A 22 9.899 8.056 8.039 1.00 0.00 C ATOM 333 O THR A 22 9.775 8.774 9.033 1.00 0.00 O ATOM 334 CB THR A 22 11.730 9.579 7.039 1.00 0.00 C ATOM 335 OG1 THR A 22 11.027 10.379 6.096 1.00 0.00 O ATOM 336 CG2 THR A 22 13.204 9.501 6.627 1.00 0.00 C ATOM 0 H THR A 22 9.968 8.198 5.408 1.00 0.00 H new ATOM 0 HA THR A 22 11.866 7.506 7.578 1.00 0.00 H new ATOM 0 HB THR A 22 11.645 10.036 8.025 1.00 0.00 H new ATOM 0 HG1 THR A 22 11.427 11.273 6.062 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.620 10.507 6.572 1.00 0.00 H new ATOM 0 HG22 THR A 22 13.758 8.919 7.364 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.284 9.021 5.652 1.00 0.00 H new ATOM 344 N CYS A 23 8.956 7.181 7.685 1.00 0.00 N ATOM 345 CA CYS A 23 7.770 6.878 8.453 1.00 0.00 C ATOM 346 C CYS A 23 7.971 5.480 9.059 1.00 0.00 C ATOM 347 O CYS A 23 8.044 4.508 8.300 1.00 0.00 O ATOM 348 CB CYS A 23 6.575 6.997 7.493 1.00 0.00 C ATOM 349 SG CYS A 23 4.927 7.164 8.213 1.00 0.00 S ATOM 0 H CYS A 23 9.010 6.647 6.817 1.00 0.00 H new ATOM 0 HA CYS A 23 7.580 7.557 9.284 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.748 7.859 6.849 1.00 0.00 H new ATOM 0 HB3 CYS A 23 6.572 6.116 6.852 1.00 0.00 H new ATOM 0 HG CYS A 23 4.045 7.253 7.262 1.00 0.00 H new ATOM 354 N PRO A 24 8.052 5.342 10.394 1.00 0.00 N ATOM 355 CA PRO A 24 8.157 4.035 11.028 1.00 0.00 C ATOM 356 C PRO A 24 6.875 3.216 10.820 1.00 0.00 C ATOM 357 O PRO A 24 6.924 1.989 10.896 1.00 0.00 O ATOM 358 CB PRO A 24 8.439 4.313 12.506 1.00 0.00 C ATOM 359 CG PRO A 24 7.779 5.670 12.737 1.00 0.00 C ATOM 360 CD PRO A 24 7.952 6.391 11.399 1.00 0.00 C ATOM 0 HA PRO A 24 8.954 3.433 10.592 1.00 0.00 H new ATOM 0 HB2 PRO A 24 8.013 3.543 13.149 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.509 4.345 12.713 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.727 5.564 13.001 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.258 6.215 13.550 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.106 7.048 11.196 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.846 7.015 11.404 1.00 0.00 H new ATOM 368 N TYR A 25 5.754 3.858 10.468 1.00 0.00 N ATOM 369 CA TYR A 25 4.526 3.147 10.156 1.00 0.00 C ATOM 370 C TYR A 25 4.697 2.503 8.780 1.00 0.00 C ATOM 371 O TYR A 25 4.242 1.375 8.582 1.00 0.00 O ATOM 372 CB TYR A 25 3.354 4.131 10.070 1.00 0.00 C ATOM 373 CG TYR A 25 3.026 4.838 11.366 1.00 0.00 C ATOM 374 CD1 TYR A 25 2.458 4.154 12.454 1.00 0.00 C ATOM 375 CD2 TYR A 25 3.291 6.219 11.461 1.00 0.00 C ATOM 376 CE1 TYR A 25 2.122 4.857 13.626 1.00 0.00 C ATOM 377 CE2 TYR A 25 2.970 6.923 12.629 1.00 0.00 C ATOM 378 CZ TYR A 25 2.370 6.248 13.713 1.00 0.00 C ATOM 379 OH TYR A 25 2.008 6.947 14.821 1.00 0.00 O ATOM 0 H TYR A 25 5.681 4.873 10.394 1.00 0.00 H new ATOM 0 HA TYR A 25 4.325 2.406 10.930 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.581 4.880 9.311 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.469 3.592 9.732 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.280 3.091 12.391 1.00 0.00 H new ATOM 0 HD2 TYR A 25 3.744 6.737 10.629 1.00 0.00 H new ATOM 0 HE1 TYR A 25 1.675 4.335 14.459 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.181 7.980 12.699 1.00 0.00 H new ATOM 0 HH TYR A 25 2.255 7.889 14.709 1.00 0.00 H new ATOM 389 N CYS A 26 5.363 3.186 7.838 1.00 0.00 N ATOM 390 CA CYS A 26 5.634 2.616 6.529 1.00 0.00 C ATOM 391 C CYS A 26 6.588 1.435 6.750 1.00 0.00 C ATOM 392 O CYS A 26 6.257 0.319 6.363 1.00 0.00 O ATOM 393 CB CYS A 26 6.224 3.671 5.585 1.00 0.00 C ATOM 394 SG CYS A 26 4.914 4.836 5.090 1.00 0.00 S ATOM 0 H CYS A 26 5.720 4.133 7.967 1.00 0.00 H new ATOM 0 HA CYS A 26 4.718 2.270 6.050 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.034 4.206 6.080 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.651 3.190 4.705 1.00 0.00 H new ATOM 0 HG CYS A 26 4.675 5.661 6.066 1.00 0.00 H new ATOM 400 N ARG A 27 7.692 1.636 7.489 1.00 0.00 N ATOM 401 CA ARG A 27 8.621 0.558 7.855 1.00 0.00 C ATOM 402 C ARG A 27 7.884 -0.653 8.429 1.00 0.00 C ATOM 403 O ARG A 27 8.155 -1.767 7.992 1.00 0.00 O ATOM 404 CB ARG A 27 9.708 1.063 8.816 1.00 0.00 C ATOM 405 CG ARG A 27 10.836 0.025 8.935 1.00 0.00 C ATOM 406 CD ARG A 27 11.789 0.331 10.092 1.00 0.00 C ATOM 407 NE ARG A 27 12.604 1.521 9.814 1.00 0.00 N ATOM 408 CZ ARG A 27 12.883 2.546 10.625 1.00 0.00 C ATOM 409 NH1 ARG A 27 12.362 2.645 11.844 1.00 0.00 N ATOM 410 NH2 ARG A 27 13.689 3.497 10.180 1.00 0.00 N ATOM 0 H ARG A 27 7.964 2.551 7.849 1.00 0.00 H new ATOM 0 HA ARG A 27 9.115 0.229 6.941 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.111 2.009 8.455 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.275 1.255 9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.402 -0.965 9.077 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.399 -0.005 8.002 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.216 0.486 11.006 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.440 -0.526 10.265 1.00 0.00 H new ATOM 0 HE ARG A 27 13.010 1.572 8.880 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.727 1.924 12.187 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.597 3.442 12.436 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.080 3.436 9.240 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.919 4.291 10.777 1.00 0.00 H new ATOM 424 N ARG A 28 6.949 -0.462 9.372 1.00 0.00 N ATOM 425 CA ARG A 28 6.106 -1.550 9.868 1.00 0.00 C ATOM 426 C ARG A 28 5.465 -2.260 8.698 1.00 0.00 C ATOM 427 O ARG A 28 5.657 -3.460 8.549 1.00 0.00 O ATOM 428 CB ARG A 28 5.002 -1.050 10.807 1.00 0.00 C ATOM 429 CG ARG A 28 4.033 -2.179 11.226 1.00 0.00 C ATOM 430 CD ARG A 28 4.148 -2.550 12.700 1.00 0.00 C ATOM 431 NE ARG A 28 5.285 -3.450 12.965 1.00 0.00 N ATOM 432 CZ ARG A 28 5.216 -4.601 13.645 1.00 0.00 C ATOM 433 NH1 ARG A 28 4.114 -4.928 14.320 1.00 0.00 N ATOM 434 NH2 ARG A 28 6.253 -5.431 13.629 1.00 0.00 N ATOM 0 H ARG A 28 6.760 0.442 9.805 1.00 0.00 H new ATOM 0 HA ARG A 28 6.747 -2.227 10.433 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.455 -0.614 11.697 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.440 -0.256 10.314 1.00 0.00 H new ATOM 0 HG2 ARG A 28 3.010 -1.868 11.015 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.230 -3.063 10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.261 -1.642 13.293 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.225 -3.030 13.024 1.00 0.00 H new ATOM 0 HE ARG A 28 6.197 -3.174 12.601 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.312 -4.298 14.322 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.073 -5.808 14.834 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.092 -5.189 13.102 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.210 -6.310 14.144 1.00 0.00 H new ATOM 448 N ALA A 29 4.630 -1.548 7.946 1.00 0.00 N ATOM 449 CA ALA A 29 3.883 -2.151 6.853 1.00 0.00 C ATOM 450 C ALA A 29 4.808 -2.898 5.902 1.00 0.00 C ATOM 451 O ALA A 29 4.424 -3.957 5.429 1.00 0.00 O ATOM 452 CB ALA A 29 3.064 -1.111 6.094 1.00 0.00 C ATOM 0 H ALA A 29 4.455 -0.552 8.076 1.00 0.00 H new ATOM 0 HA ALA A 29 3.190 -2.869 7.292 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.519 -1.597 5.285 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.357 -0.637 6.775 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.731 -0.355 5.680 1.00 0.00 H new ATOM 458 N GLN A 30 6.011 -2.398 5.643 1.00 0.00 N ATOM 459 CA GLN A 30 7.002 -3.062 4.823 1.00 0.00 C ATOM 460 C GLN A 30 7.487 -4.366 5.420 1.00 0.00 C ATOM 461 O GLN A 30 7.523 -5.336 4.684 1.00 0.00 O ATOM 462 CB GLN A 30 8.145 -2.088 4.514 1.00 0.00 C ATOM 463 CG GLN A 30 7.774 -1.311 3.246 1.00 0.00 C ATOM 464 CD GLN A 30 8.049 0.188 3.353 1.00 0.00 C ATOM 465 OE1 GLN A 30 7.191 0.965 3.747 1.00 0.00 O ATOM 466 NE2 GLN A 30 9.240 0.638 3.009 1.00 0.00 N ATOM 0 H GLN A 30 6.326 -1.499 6.008 1.00 0.00 H new ATOM 0 HA GLN A 30 6.530 -3.350 3.884 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.299 -1.404 5.349 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.079 -2.630 4.369 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.333 -1.717 2.403 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.717 -1.465 3.030 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.955 -0.011 2.680 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.446 1.635 3.072 1.00 0.00 H new ATOM 475 N GLU A 31 7.820 -4.466 6.701 1.00 0.00 N ATOM 476 CA GLU A 31 8.293 -5.748 7.229 1.00 0.00 C ATOM 477 C GLU A 31 7.143 -6.728 7.457 1.00 0.00 C ATOM 478 O GLU A 31 7.301 -7.943 7.308 1.00 0.00 O ATOM 479 CB GLU A 31 9.113 -5.531 8.514 1.00 0.00 C ATOM 480 CG GLU A 31 8.289 -4.945 9.674 1.00 0.00 C ATOM 481 CD GLU A 31 9.053 -4.779 10.979 1.00 0.00 C ATOM 482 OE1 GLU A 31 10.108 -4.110 11.024 1.00 0.00 O ATOM 483 OE2 GLU A 31 8.519 -5.202 12.034 1.00 0.00 O ATOM 0 H GLU A 31 7.776 -3.704 7.378 1.00 0.00 H new ATOM 0 HA GLU A 31 8.945 -6.198 6.480 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.542 -6.483 8.827 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.946 -4.863 8.296 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.901 -3.973 9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.429 -5.590 9.852 1.00 0.00 H new ATOM 490 N ILE A 32 5.970 -6.189 7.781 1.00 0.00 N ATOM 491 CA ILE A 32 4.709 -6.907 7.858 1.00 0.00 C ATOM 492 C ILE A 32 4.465 -7.552 6.495 1.00 0.00 C ATOM 493 O ILE A 32 4.252 -8.763 6.416 1.00 0.00 O ATOM 494 CB ILE A 32 3.599 -5.918 8.290 1.00 0.00 C ATOM 495 CG1 ILE A 32 3.608 -5.801 9.835 1.00 0.00 C ATOM 496 CG2 ILE A 32 2.205 -6.273 7.765 1.00 0.00 C ATOM 497 CD1 ILE A 32 2.407 -5.083 10.468 1.00 0.00 C ATOM 0 H ILE A 32 5.873 -5.199 8.006 1.00 0.00 H new ATOM 0 HA ILE A 32 4.719 -7.702 8.603 1.00 0.00 H new ATOM 0 HB ILE A 32 3.826 -4.954 7.835 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.666 -6.805 10.254 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.516 -5.278 10.134 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.486 -5.531 8.112 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.218 -6.283 6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.917 -7.258 8.133 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.525 -5.063 11.551 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.353 -4.062 10.090 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.490 -5.614 10.213 1.00 0.00 H new ATOM 509 N LEU A 33 4.483 -6.737 5.438 1.00 0.00 N ATOM 510 CA LEU A 33 4.066 -7.164 4.117 1.00 0.00 C ATOM 511 C LEU A 33 5.182 -7.988 3.482 1.00 0.00 C ATOM 512 O LEU A 33 4.943 -9.108 3.030 1.00 0.00 O ATOM 513 CB LEU A 33 3.781 -5.965 3.190 1.00 0.00 C ATOM 514 CG LEU A 33 2.420 -5.252 3.343 1.00 0.00 C ATOM 515 CD1 LEU A 33 2.466 -3.994 2.489 1.00 0.00 C ATOM 516 CD2 LEU A 33 1.264 -6.142 2.872 1.00 0.00 C ATOM 0 H LEU A 33 4.788 -5.765 5.482 1.00 0.00 H new ATOM 0 HA LEU A 33 3.152 -7.747 4.233 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.567 -5.226 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.866 -6.309 2.159 1.00 0.00 H new ATOM 0 HG LEU A 33 2.249 -5.018 4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.518 -3.463 2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.275 -3.350 2.834 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.638 -4.267 1.448 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.321 -5.609 2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.405 -6.395 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.243 -7.056 3.466 1.00 0.00 H new ATOM 528 N SER A 34 6.386 -7.405 3.387 1.00 0.00 N ATOM 529 CA SER A 34 7.419 -7.878 2.466 1.00 0.00 C ATOM 530 C SER A 34 7.923 -9.283 2.811 1.00 0.00 C ATOM 531 O SER A 34 8.422 -9.980 1.921 1.00 0.00 O ATOM 532 CB SER A 34 8.569 -6.857 2.415 1.00 0.00 C ATOM 533 OG SER A 34 9.503 -7.132 1.388 1.00 0.00 O ATOM 0 H SER A 34 6.666 -6.598 3.944 1.00 0.00 H new ATOM 0 HA SER A 34 6.973 -7.962 1.475 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.156 -5.859 2.266 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.084 -6.849 3.376 1.00 0.00 H new ATOM 0 HG SER A 34 10.210 -6.454 1.399 1.00 0.00 H new ATOM 539 N GLN A 35 7.747 -9.753 4.049 1.00 0.00 N ATOM 540 CA GLN A 35 8.245 -11.069 4.424 1.00 0.00 C ATOM 541 C GLN A 35 7.396 -12.197 3.819 1.00 0.00 C ATOM 542 O GLN A 35 7.891 -13.321 3.699 1.00 0.00 O ATOM 543 CB GLN A 35 8.285 -11.211 5.954 1.00 0.00 C ATOM 544 CG GLN A 35 9.432 -10.427 6.609 1.00 0.00 C ATOM 545 CD GLN A 35 10.794 -11.124 6.493 1.00 0.00 C ATOM 546 OE1 GLN A 35 11.169 -11.694 5.465 1.00 0.00 O ATOM 547 NE2 GLN A 35 11.582 -11.094 7.553 1.00 0.00 N ATOM 0 H GLN A 35 7.270 -9.247 4.795 1.00 0.00 H new ATOM 0 HA GLN A 35 9.255 -11.158 4.024 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.337 -10.868 6.368 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.382 -12.266 6.211 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.497 -9.441 6.149 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.200 -10.272 7.663 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.274 -10.623 8.404 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.498 -11.541 7.520 1.00 0.00 H new ATOM 556 N LEU A 36 6.143 -11.934 3.431 1.00 0.00 N ATOM 557 CA LEU A 36 5.244 -12.975 2.950 1.00 0.00 C ATOM 558 C LEU A 36 5.658 -13.436 1.544 1.00 0.00 C ATOM 559 O LEU A 36 6.192 -12.630 0.776 1.00 0.00 O ATOM 560 CB LEU A 36 3.800 -12.448 2.962 1.00 0.00 C ATOM 561 CG LEU A 36 3.270 -12.112 4.371 1.00 0.00 C ATOM 562 CD1 LEU A 36 1.846 -11.565 4.261 1.00 0.00 C ATOM 563 CD2 LEU A 36 3.261 -13.331 5.306 1.00 0.00 C ATOM 0 H LEU A 36 5.732 -11.001 3.443 1.00 0.00 H new ATOM 0 HA LEU A 36 5.305 -13.841 3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.745 -11.554 2.341 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.148 -13.193 2.507 1.00 0.00 H new ATOM 0 HG LEU A 36 3.944 -11.370 4.799 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.470 -11.327 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.849 -10.663 3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.203 -12.315 3.800 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.879 -13.037 6.284 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.622 -14.108 4.885 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.276 -13.715 5.414 1.00 0.00 H new ATOM 575 N PRO A 37 5.420 -14.706 1.171 1.00 0.00 N ATOM 576 CA PRO A 37 5.686 -15.205 -0.175 1.00 0.00 C ATOM 577 C PRO A 37 4.647 -14.613 -1.128 1.00 0.00 C ATOM 578 O PRO A 37 3.474 -14.974 -1.045 1.00 0.00 O ATOM 579 CB PRO A 37 5.598 -16.731 -0.069 1.00 0.00 C ATOM 580 CG PRO A 37 4.625 -16.962 1.089 1.00 0.00 C ATOM 581 CD PRO A 37 4.869 -15.764 2.009 1.00 0.00 C ATOM 0 HA PRO A 37 6.663 -14.921 -0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.231 -17.176 -0.994 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.573 -17.175 0.133 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.592 -16.998 0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.824 -17.905 1.598 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.941 -15.442 2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.561 -16.024 2.810 1.00 0.00 H new ATOM 589 N ILE A 38 5.040 -13.693 -2.008 1.00 0.00 N ATOM 590 CA ILE A 38 4.117 -12.978 -2.883 1.00 0.00 C ATOM 591 C ILE A 38 4.718 -13.088 -4.284 1.00 0.00 C ATOM 592 O ILE A 38 5.944 -13.146 -4.447 1.00 0.00 O ATOM 593 CB ILE A 38 4.021 -11.506 -2.379 1.00 0.00 C ATOM 594 CG1 ILE A 38 3.014 -11.394 -1.211 1.00 0.00 C ATOM 595 CG2 ILE A 38 3.562 -10.486 -3.452 1.00 0.00 C ATOM 596 CD1 ILE A 38 3.405 -10.253 -0.264 1.00 0.00 C ATOM 0 H ILE A 38 6.015 -13.422 -2.133 1.00 0.00 H new ATOM 0 HA ILE A 38 3.104 -13.380 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 38 5.040 -11.260 -2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.012 -11.220 -1.604 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.982 -12.335 -0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 38 3.524 -9.489 -3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.267 -10.490 -4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.572 -10.761 -3.815 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.683 -10.192 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.397 -10.443 0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.413 -9.311 -0.813 1.00 0.00 H new ATOM 608 N LYS A 39 3.842 -13.140 -5.292 1.00 0.00 N ATOM 609 CA LYS A 39 4.187 -13.350 -6.684 1.00 0.00 C ATOM 610 C LYS A 39 5.201 -12.304 -7.130 1.00 0.00 C ATOM 611 O LYS A 39 5.234 -11.209 -6.570 1.00 0.00 O ATOM 612 CB LYS A 39 2.930 -13.390 -7.570 1.00 0.00 C ATOM 613 CG LYS A 39 2.467 -14.828 -7.864 1.00 0.00 C ATOM 614 CD LYS A 39 3.147 -15.491 -9.065 1.00 0.00 C ATOM 615 CE LYS A 39 2.817 -14.780 -10.381 1.00 0.00 C ATOM 616 NZ LYS A 39 3.317 -15.526 -11.554 1.00 0.00 N ATOM 0 H LYS A 39 2.838 -13.032 -5.146 1.00 0.00 H new ATOM 0 HA LYS A 39 4.659 -14.326 -6.795 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.124 -12.845 -7.078 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.134 -12.877 -8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.646 -15.440 -6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.390 -14.820 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.227 -15.491 -8.915 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.834 -16.533 -9.128 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.737 -14.655 -10.464 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.254 -13.782 -10.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.073 -15.010 -12.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.350 -15.624 -11.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.881 -16.470 -11.577 1.00 0.00 H new ATOM 630 N GLN A 40 5.973 -12.656 -8.159 1.00 0.00 N ATOM 631 CA GLN A 40 7.114 -11.913 -8.677 1.00 0.00 C ATOM 632 C GLN A 40 6.833 -10.405 -8.682 1.00 0.00 C ATOM 633 O GLN A 40 6.150 -9.906 -9.581 1.00 0.00 O ATOM 634 CB GLN A 40 7.481 -12.481 -10.067 1.00 0.00 C ATOM 635 CG GLN A 40 8.867 -12.068 -10.591 1.00 0.00 C ATOM 636 CD GLN A 40 8.979 -10.572 -10.854 1.00 0.00 C ATOM 637 OE1 GLN A 40 9.387 -9.815 -9.982 1.00 0.00 O ATOM 638 NE2 GLN A 40 8.602 -10.094 -12.023 1.00 0.00 N ATOM 0 H GLN A 40 5.806 -13.517 -8.680 1.00 0.00 H new ATOM 0 HA GLN A 40 7.980 -12.038 -8.027 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.435 -13.569 -10.022 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.727 -12.160 -10.785 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.626 -12.362 -9.867 1.00 0.00 H new ATOM 0 HG3 GLN A 40 9.078 -12.611 -11.512 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.263 -10.727 -12.747 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.650 -9.091 -12.203 1.00 0.00 H new ATOM 647 N GLY A 41 7.357 -9.688 -7.685 1.00 0.00 N ATOM 648 CA GLY A 41 7.405 -8.240 -7.692 1.00 0.00 C ATOM 649 C GLY A 41 6.028 -7.608 -7.530 1.00 0.00 C ATOM 650 O GLY A 41 5.866 -6.450 -7.919 1.00 0.00 O ATOM 0 H GLY A 41 7.761 -10.108 -6.848 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.055 -7.898 -6.887 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.850 -7.899 -8.627 1.00 0.00 H new ATOM 654 N LEU A 42 5.012 -8.320 -7.019 1.00 0.00 N ATOM 655 CA LEU A 42 3.695 -7.734 -6.907 1.00 0.00 C ATOM 656 C LEU A 42 3.649 -6.716 -5.780 1.00 0.00 C ATOM 657 O LEU A 42 2.774 -5.863 -5.830 1.00 0.00 O ATOM 658 CB LEU A 42 2.607 -8.759 -6.598 1.00 0.00 C ATOM 659 CG LEU A 42 2.302 -9.861 -7.615 1.00 0.00 C ATOM 660 CD1 LEU A 42 0.877 -10.340 -7.354 1.00 0.00 C ATOM 661 CD2 LEU A 42 2.393 -9.434 -9.070 1.00 0.00 C ATOM 0 H LEU A 42 5.087 -9.281 -6.687 1.00 0.00 H new ATOM 0 HA LEU A 42 3.507 -7.278 -7.879 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.873 -9.245 -5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.681 -8.211 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 42 3.060 -10.633 -7.478 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.623 -11.129 -8.062 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.804 -10.727 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.185 -9.507 -7.475 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.160 -10.282 -9.713 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.682 -8.630 -9.258 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.403 -9.083 -9.284 1.00 0.00 H new ATOM 673 N LEU A 43 4.495 -6.812 -4.749 1.00 0.00 N ATOM 674 CA LEU A 43 4.476 -5.824 -3.678 1.00 0.00 C ATOM 675 C LEU A 43 5.329 -4.642 -4.135 1.00 0.00 C ATOM 676 O LEU A 43 6.556 -4.734 -4.166 1.00 0.00 O ATOM 677 CB LEU A 43 4.912 -6.394 -2.313 1.00 0.00 C ATOM 678 CG LEU A 43 4.224 -5.716 -1.101 1.00 0.00 C ATOM 679 CD1 LEU A 43 3.945 -4.219 -1.294 1.00 0.00 C ATOM 680 CD2 LEU A 43 2.914 -6.426 -0.713 1.00 0.00 C ATOM 0 H LEU A 43 5.188 -7.552 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 43 3.452 -5.496 -3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.696 -7.462 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.992 -6.285 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 43 4.949 -5.810 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 43 3.463 -3.821 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.884 -3.693 -1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.290 -4.079 -2.154 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.464 -5.919 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.223 -6.400 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.126 -7.462 -0.449 1.00 0.00 H new ATOM 692 N GLU A 44 4.694 -3.551 -4.544 1.00 0.00 N ATOM 693 CA GLU A 44 5.322 -2.415 -5.187 1.00 0.00 C ATOM 694 C GLU A 44 5.174 -1.209 -4.257 1.00 0.00 C ATOM 695 O GLU A 44 4.084 -0.653 -4.111 1.00 0.00 O ATOM 696 CB GLU A 44 4.699 -2.267 -6.581 1.00 0.00 C ATOM 697 CG GLU A 44 5.702 -1.671 -7.566 1.00 0.00 C ATOM 698 CD GLU A 44 5.248 -1.902 -9.010 1.00 0.00 C ATOM 699 OE1 GLU A 44 4.274 -1.272 -9.470 1.00 0.00 O ATOM 700 OE2 GLU A 44 5.855 -2.744 -9.714 1.00 0.00 O ATOM 0 H GLU A 44 3.687 -3.433 -4.430 1.00 0.00 H new ATOM 0 HA GLU A 44 6.394 -2.530 -5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.366 -3.241 -6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 44 3.817 -1.629 -6.524 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.810 -0.602 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.682 -2.122 -7.412 1.00 0.00 H new ATOM 707 N PHE A 45 6.250 -0.858 -3.547 1.00 0.00 N ATOM 708 CA PHE A 45 6.265 0.263 -2.614 1.00 0.00 C ATOM 709 C PHE A 45 6.543 1.546 -3.397 1.00 0.00 C ATOM 710 O PHE A 45 7.477 1.586 -4.202 1.00 0.00 O ATOM 711 CB PHE A 45 7.312 0.029 -1.515 1.00 0.00 C ATOM 712 CG PHE A 45 7.096 -1.258 -0.740 1.00 0.00 C ATOM 713 CD1 PHE A 45 6.057 -1.340 0.205 1.00 0.00 C ATOM 714 CD2 PHE A 45 7.907 -2.384 -0.982 1.00 0.00 C ATOM 715 CE1 PHE A 45 5.826 -2.541 0.898 1.00 0.00 C ATOM 716 CE2 PHE A 45 7.685 -3.580 -0.277 1.00 0.00 C ATOM 717 CZ PHE A 45 6.649 -3.657 0.668 1.00 0.00 C ATOM 0 H PHE A 45 7.141 -1.351 -3.607 1.00 0.00 H new ATOM 0 HA PHE A 45 5.298 0.355 -2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.304 0.010 -1.967 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.294 0.870 -0.821 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.435 -0.478 0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.702 -2.328 -1.711 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.015 -2.606 1.608 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.312 -4.440 -0.462 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.485 -4.572 1.217 1.00 0.00 H new ATOM 727 N VAL A 46 5.740 2.586 -3.176 1.00 0.00 N ATOM 728 CA VAL A 46 5.662 3.784 -3.998 1.00 0.00 C ATOM 729 C VAL A 46 5.817 4.993 -3.085 1.00 0.00 C ATOM 730 O VAL A 46 4.892 5.371 -2.362 1.00 0.00 O ATOM 731 CB VAL A 46 4.344 3.779 -4.787 1.00 0.00 C ATOM 732 CG1 VAL A 46 4.222 5.042 -5.640 1.00 0.00 C ATOM 733 CG2 VAL A 46 4.270 2.555 -5.705 1.00 0.00 C ATOM 0 H VAL A 46 5.099 2.614 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 46 6.461 3.821 -4.738 1.00 0.00 H new ATOM 0 HB VAL A 46 3.527 3.745 -4.066 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.282 5.019 -6.191 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.243 5.920 -4.995 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.054 5.088 -6.343 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.329 2.569 -6.255 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.102 2.577 -6.408 1.00 0.00 H new ATOM 0 HG23 VAL A 46 4.326 1.647 -5.105 1.00 0.00 H new ATOM 743 N ASP A 47 7.016 5.561 -3.068 1.00 0.00 N ATOM 744 CA ASP A 47 7.363 6.653 -2.176 1.00 0.00 C ATOM 745 C ASP A 47 6.810 7.981 -2.696 1.00 0.00 C ATOM 746 O ASP A 47 7.140 8.393 -3.813 1.00 0.00 O ATOM 747 CB ASP A 47 8.872 6.707 -1.990 1.00 0.00 C ATOM 748 CG ASP A 47 9.173 7.550 -0.762 1.00 0.00 C ATOM 749 OD1 ASP A 47 8.843 8.756 -0.764 1.00 0.00 O ATOM 750 OD2 ASP A 47 9.690 6.954 0.207 1.00 0.00 O ATOM 0 H ASP A 47 7.780 5.272 -3.679 1.00 0.00 H new ATOM 0 HA ASP A 47 6.905 6.476 -1.203 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.276 5.702 -1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.348 7.137 -2.871 1.00 0.00 H new ATOM 755 N ILE A 48 5.947 8.638 -1.915 1.00 0.00 N ATOM 756 CA ILE A 48 5.280 9.883 -2.303 1.00 0.00 C ATOM 757 C ILE A 48 6.105 11.141 -2.005 1.00 0.00 C ATOM 758 O ILE A 48 5.714 12.225 -2.440 1.00 0.00 O ATOM 759 CB ILE A 48 3.876 9.984 -1.667 1.00 0.00 C ATOM 760 CG1 ILE A 48 3.871 10.015 -0.123 1.00 0.00 C ATOM 761 CG2 ILE A 48 2.999 8.822 -2.180 1.00 0.00 C ATOM 762 CD1 ILE A 48 2.566 10.589 0.436 1.00 0.00 C ATOM 0 H ILE A 48 5.689 8.315 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 48 5.175 9.839 -3.387 1.00 0.00 H new ATOM 0 HB ILE A 48 3.469 10.947 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.016 9.005 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.711 10.614 0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.007 8.890 -1.733 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.913 8.882 -3.265 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.457 7.872 -1.905 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.607 10.592 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.433 11.609 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.728 9.975 0.106 1.00 0.00 H new ATOM 774 N THR A 49 7.219 11.032 -1.281 1.00 0.00 N ATOM 775 CA THR A 49 8.094 12.150 -0.931 1.00 0.00 C ATOM 776 C THR A 49 9.485 11.933 -1.546 1.00 0.00 C ATOM 777 O THR A 49 10.433 12.661 -1.250 1.00 0.00 O ATOM 778 CB THR A 49 8.031 12.374 0.593 1.00 0.00 C ATOM 779 OG1 THR A 49 8.538 13.620 1.017 1.00 0.00 O ATOM 780 CG2 THR A 49 8.721 11.297 1.409 1.00 0.00 C ATOM 0 H THR A 49 7.546 10.139 -0.912 1.00 0.00 H new ATOM 0 HA THR A 49 7.764 13.094 -1.364 1.00 0.00 H new ATOM 0 HB THR A 49 6.958 12.339 0.781 1.00 0.00 H new ATOM 0 HG1 THR A 49 9.336 13.843 0.494 1.00 0.00 H new ATOM 0 HG21 THR A 49 8.630 11.530 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 49 8.254 10.333 1.208 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.775 11.253 1.136 1.00 0.00 H new ATOM 826 N HIS A 53 5.094 15.619 -4.821 1.00 0.00 N ATOM 827 CA HIS A 53 4.367 16.498 -3.928 1.00 0.00 C ATOM 828 C HIS A 53 3.420 15.667 -3.070 1.00 0.00 C ATOM 829 O HIS A 53 2.202 15.696 -3.244 1.00 0.00 O ATOM 830 CB HIS A 53 3.705 17.642 -4.706 1.00 0.00 C ATOM 831 CG HIS A 53 3.214 18.766 -3.826 1.00 0.00 C ATOM 832 ND1 HIS A 53 3.488 18.968 -2.485 1.00 0.00 N ATOM 833 CD2 HIS A 53 2.344 19.741 -4.227 1.00 0.00 C ATOM 834 CE1 HIS A 53 2.751 20.015 -2.085 1.00 0.00 C ATOM 835 NE2 HIS A 53 2.037 20.515 -3.106 1.00 0.00 N ATOM 0 HA HIS A 53 5.046 16.998 -3.237 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.419 18.041 -5.427 1.00 0.00 H new ATOM 0 HB3 HIS A 53 2.865 17.244 -5.276 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.964 19.886 -5.227 1.00 0.00 H new ATOM 0 HE1 HIS A 53 2.734 20.403 -1.077 1.00 0.00 H new ATOM 0 HE2 HIS A 53 1.395 21.307 -3.070 1.00 0.00 H new ATOM 843 N THR A 54 4.025 14.947 -2.126 1.00 0.00 N ATOM 844 CA THR A 54 3.399 14.151 -1.065 1.00 0.00 C ATOM 845 C THR A 54 2.122 14.828 -0.593 1.00 0.00 C ATOM 846 O THR A 54 1.054 14.272 -0.774 1.00 0.00 O ATOM 847 CB THR A 54 4.371 13.808 0.093 1.00 0.00 C ATOM 848 OG1 THR A 54 3.794 13.734 1.392 1.00 0.00 O ATOM 849 CG2 THR A 54 5.556 14.753 0.179 1.00 0.00 C ATOM 0 H THR A 54 5.043 14.900 -2.077 1.00 0.00 H new ATOM 0 HA THR A 54 3.129 13.183 -1.487 1.00 0.00 H new ATOM 0 HB THR A 54 4.690 12.805 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 54 4.497 13.831 2.068 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.197 14.458 1.010 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.124 14.710 -0.750 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.199 15.770 0.340 1.00 0.00 H new ATOM 857 N ASN A 55 2.221 16.024 -0.015 1.00 0.00 N ATOM 858 CA ASN A 55 1.074 16.728 0.574 1.00 0.00 C ATOM 859 C ASN A 55 -0.143 16.874 -0.362 1.00 0.00 C ATOM 860 O ASN A 55 -1.280 16.868 0.106 1.00 0.00 O ATOM 861 CB ASN A 55 1.492 18.106 1.092 1.00 0.00 C ATOM 862 CG ASN A 55 0.365 18.724 1.903 1.00 0.00 C ATOM 863 OD1 ASN A 55 0.033 18.219 2.971 1.00 0.00 O ATOM 864 ND2 ASN A 55 -0.240 19.805 1.445 1.00 0.00 N ATOM 0 H ASN A 55 3.100 16.537 0.060 1.00 0.00 H new ATOM 0 HA ASN A 55 0.748 16.093 1.398 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.386 18.015 1.708 1.00 0.00 H new ATOM 0 HB3 ASN A 55 1.746 18.756 0.255 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.995 20.232 1.981 1.00 0.00 H new ATOM 0 HD22 ASN A 55 0.048 20.212 0.555 1.00 0.00 H new ATOM 871 N GLU A 56 0.054 17.010 -1.674 1.00 0.00 N ATOM 872 CA GLU A 56 -1.020 17.030 -2.667 1.00 0.00 C ATOM 873 C GLU A 56 -1.526 15.614 -2.957 1.00 0.00 C ATOM 874 O GLU A 56 -2.735 15.377 -3.008 1.00 0.00 O ATOM 875 CB GLU A 56 -0.479 17.699 -3.939 1.00 0.00 C ATOM 876 CG GLU A 56 -1.137 19.050 -4.236 1.00 0.00 C ATOM 877 CD GLU A 56 -2.241 18.905 -5.278 1.00 0.00 C ATOM 878 OE1 GLU A 56 -3.370 18.504 -4.924 1.00 0.00 O ATOM 879 OE2 GLU A 56 -1.970 19.085 -6.489 1.00 0.00 O ATOM 0 H GLU A 56 0.983 17.111 -2.084 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.870 17.595 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.597 17.841 -3.838 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.635 17.032 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.552 19.466 -3.318 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.385 19.754 -4.594 1.00 0.00 H new ATOM 886 N ILE A 57 -0.607 14.667 -3.142 1.00 0.00 N ATOM 887 CA ILE A 57 -0.907 13.251 -3.336 1.00 0.00 C ATOM 888 C ILE A 57 -1.718 12.712 -2.146 1.00 0.00 C ATOM 889 O ILE A 57 -2.613 11.894 -2.329 1.00 0.00 O ATOM 890 CB ILE A 57 0.436 12.507 -3.549 1.00 0.00 C ATOM 891 CG1 ILE A 57 0.858 12.607 -5.029 1.00 0.00 C ATOM 892 CG2 ILE A 57 0.374 11.035 -3.108 1.00 0.00 C ATOM 893 CD1 ILE A 57 2.359 12.363 -5.230 1.00 0.00 C ATOM 0 H ILE A 57 0.392 14.870 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.530 13.092 -4.216 1.00 0.00 H new ATOM 0 HB ILE A 57 1.181 12.992 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 57 0.294 11.881 -5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.599 13.594 -5.411 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.341 10.563 -3.280 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.128 10.983 -2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -0.391 10.515 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.602 12.445 -6.289 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.927 13.105 -4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.616 11.365 -4.875 1.00 0.00 H new ATOM 905 N GLN A 58 -1.399 13.161 -0.936 1.00 0.00 N ATOM 906 CA GLN A 58 -1.947 12.741 0.340 1.00 0.00 C ATOM 907 C GLN A 58 -3.434 13.102 0.327 1.00 0.00 C ATOM 908 O GLN A 58 -4.290 12.287 0.661 1.00 0.00 O ATOM 909 CB GLN A 58 -1.233 13.556 1.436 1.00 0.00 C ATOM 910 CG GLN A 58 0.003 12.889 2.055 1.00 0.00 C ATOM 911 CD GLN A 58 -0.316 11.578 2.744 1.00 0.00 C ATOM 912 OE1 GLN A 58 -0.070 10.509 2.203 1.00 0.00 O ATOM 913 NE2 GLN A 58 -0.871 11.630 3.938 1.00 0.00 N ATOM 0 H GLN A 58 -0.692 13.887 -0.818 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.815 11.674 0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.934 14.515 1.014 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.948 13.767 2.232 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.743 12.713 1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.455 13.571 2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.067 12.533 4.370 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.104 10.767 4.430 1.00 0.00 H new ATOM 922 N ASP A 59 -3.739 14.333 -0.088 1.00 0.00 N ATOM 923 CA ASP A 59 -5.101 14.831 -0.236 1.00 0.00 C ATOM 924 C ASP A 59 -5.871 13.958 -1.217 1.00 0.00 C ATOM 925 O ASP A 59 -6.987 13.520 -0.949 1.00 0.00 O ATOM 926 CB ASP A 59 -5.053 16.268 -0.752 1.00 0.00 C ATOM 927 CG ASP A 59 -6.254 17.051 -0.241 1.00 0.00 C ATOM 928 OD1 ASP A 59 -6.236 17.482 0.940 1.00 0.00 O ATOM 929 OD2 ASP A 59 -7.222 17.209 -1.015 1.00 0.00 O ATOM 0 H ASP A 59 -3.029 15.023 -0.335 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.605 14.803 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.131 16.749 -0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.045 16.271 -1.842 1.00 0.00 H new ATOM 934 N TYR A 60 -5.227 13.657 -2.344 1.00 0.00 N ATOM 935 CA TYR A 60 -5.799 12.746 -3.331 1.00 0.00 C ATOM 936 C TYR A 60 -6.035 11.341 -2.758 1.00 0.00 C ATOM 937 O TYR A 60 -7.063 10.756 -3.084 1.00 0.00 O ATOM 938 CB TYR A 60 -4.990 12.704 -4.636 1.00 0.00 C ATOM 939 CG TYR A 60 -5.536 11.729 -5.673 1.00 0.00 C ATOM 940 CD1 TYR A 60 -6.898 11.766 -6.035 1.00 0.00 C ATOM 941 CD2 TYR A 60 -4.692 10.760 -6.250 1.00 0.00 C ATOM 942 CE1 TYR A 60 -7.421 10.840 -6.951 1.00 0.00 C ATOM 943 CE2 TYR A 60 -5.206 9.833 -7.177 1.00 0.00 C ATOM 944 CZ TYR A 60 -6.576 9.863 -7.523 1.00 0.00 C ATOM 945 OH TYR A 60 -7.069 8.952 -8.407 1.00 0.00 O ATOM 0 H TYR A 60 -4.311 14.030 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.777 13.153 -3.586 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -4.967 13.704 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.960 12.433 -4.404 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.546 12.515 -5.603 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -3.647 10.728 -5.980 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.467 10.874 -7.218 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.553 9.098 -7.624 1.00 0.00 H new ATOM 0 HH TYR A 60 -7.820 9.346 -8.898 1.00 0.00 H new ATOM 955 N LEU A 61 -5.173 10.791 -1.887 1.00 0.00 N ATOM 956 CA LEU A 61 -5.453 9.525 -1.192 1.00 0.00 C ATOM 957 C LEU A 61 -6.777 9.645 -0.445 1.00 0.00 C ATOM 958 O LEU A 61 -7.625 8.763 -0.583 1.00 0.00 O ATOM 959 CB LEU A 61 -4.355 9.101 -0.187 1.00 0.00 C ATOM 960 CG LEU A 61 -2.941 8.810 -0.717 1.00 0.00 C ATOM 961 CD1 LEU A 61 -2.095 8.160 0.387 1.00 0.00 C ATOM 962 CD2 LEU A 61 -2.990 7.882 -1.927 1.00 0.00 C ATOM 0 H LEU A 61 -4.273 11.206 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.489 8.756 -1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.271 9.888 0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.706 8.206 0.328 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.491 9.755 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.094 7.956 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.028 8.836 1.240 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.561 7.226 0.700 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.977 7.693 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.457 6.939 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.571 8.350 -2.722 1.00 0.00 H new ATOM 974 N GLN A 62 -6.956 10.744 0.295 1.00 0.00 N ATOM 975 CA GLN A 62 -8.171 11.022 1.043 1.00 0.00 C ATOM 976 C GLN A 62 -9.396 10.955 0.142 1.00 0.00 C ATOM 977 O GLN A 62 -10.388 10.333 0.512 1.00 0.00 O ATOM 978 CB GLN A 62 -8.098 12.406 1.704 1.00 0.00 C ATOM 979 CG GLN A 62 -8.830 12.394 3.047 1.00 0.00 C ATOM 980 CD GLN A 62 -9.020 13.797 3.605 1.00 0.00 C ATOM 981 OE1 GLN A 62 -8.224 14.710 3.394 1.00 0.00 O ATOM 982 NE2 GLN A 62 -10.051 13.993 4.405 1.00 0.00 N ATOM 0 H GLN A 62 -6.247 11.471 0.388 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.261 10.260 1.817 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.056 12.691 1.853 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -8.542 13.154 1.047 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -9.803 11.917 2.926 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -8.267 11.793 3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.712 13.236 4.580 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.187 14.902 4.848 1.00 0.00 H new ATOM 991 N GLN A 63 -9.332 11.602 -1.020 1.00 0.00 N ATOM 992 CA GLN A 63 -10.432 11.652 -1.956 1.00 0.00 C ATOM 993 C GLN A 63 -10.674 10.275 -2.579 1.00 0.00 C ATOM 994 O GLN A 63 -11.822 9.879 -2.771 1.00 0.00 O ATOM 995 CB GLN A 63 -10.110 12.713 -3.025 1.00 0.00 C ATOM 996 CG GLN A 63 -11.141 13.846 -3.036 1.00 0.00 C ATOM 997 CD GLN A 63 -10.960 14.814 -1.862 1.00 0.00 C ATOM 998 OE1 GLN A 63 -11.114 14.460 -0.695 1.00 0.00 O ATOM 999 NE2 GLN A 63 -10.641 16.065 -2.147 1.00 0.00 N ATOM 0 H GLN A 63 -8.503 12.108 -1.333 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.352 11.930 -1.442 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -9.119 13.126 -2.839 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.079 12.241 -4.007 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -11.061 14.397 -3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.144 13.421 -3.001 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -10.515 16.351 -3.118 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -10.521 16.744 -1.396 1.00 0.00 H new ATOM 1008 N LEU A 64 -9.606 9.559 -2.941 1.00 0.00 N ATOM 1009 CA LEU A 64 -9.674 8.355 -3.762 1.00 0.00 C ATOM 1010 C LEU A 64 -10.185 7.172 -2.921 1.00 0.00 C ATOM 1011 O LEU A 64 -10.747 6.243 -3.499 1.00 0.00 O ATOM 1012 CB LEU A 64 -8.289 8.114 -4.403 1.00 0.00 C ATOM 1013 CG LEU A 64 -7.923 6.692 -4.861 1.00 0.00 C ATOM 1014 CD1 LEU A 64 -8.736 6.292 -6.097 1.00 0.00 C ATOM 1015 CD2 LEU A 64 -6.441 6.639 -5.275 1.00 0.00 C ATOM 0 H LEU A 64 -8.656 9.807 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.390 8.472 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.207 8.771 -5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.533 8.435 -3.686 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.131 6.019 -4.029 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.460 5.283 -6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.799 6.321 -5.858 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.528 6.987 -6.910 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.189 5.629 -5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.267 7.336 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.816 6.915 -4.426 1.00 0.00 H new ATOM 1027 N THR A 65 -10.025 7.190 -1.590 1.00 0.00 N ATOM 1028 CA THR A 65 -10.504 6.132 -0.697 1.00 0.00 C ATOM 1029 C THR A 65 -11.475 6.712 0.331 1.00 0.00 C ATOM 1030 O THR A 65 -12.669 6.403 0.320 1.00 0.00 O ATOM 1031 CB THR A 65 -9.321 5.388 -0.043 1.00 0.00 C ATOM 1032 OG1 THR A 65 -8.533 6.196 0.808 1.00 0.00 O ATOM 1033 CG2 THR A 65 -8.350 4.858 -1.088 1.00 0.00 C ATOM 0 H THR A 65 -9.553 7.950 -1.100 1.00 0.00 H new ATOM 0 HA THR A 65 -11.052 5.391 -1.279 1.00 0.00 H new ATOM 0 HB THR A 65 -9.803 4.595 0.529 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.247 6.999 0.324 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.529 4.340 -0.592 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.870 4.165 -1.750 1.00 0.00 H new ATOM 0 HG23 THR A 65 -7.954 5.689 -1.672 1.00 0.00 H new ATOM 1041 N GLY A 66 -10.961 7.569 1.204 1.00 0.00 N ATOM 1042 CA GLY A 66 -11.634 8.136 2.357 1.00 0.00 C ATOM 1043 C GLY A 66 -10.660 8.443 3.497 1.00 0.00 C ATOM 1044 O GLY A 66 -11.089 8.985 4.518 1.00 0.00 O ATOM 0 H GLY A 66 -10.002 7.905 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.148 9.051 2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -12.397 7.442 2.709 1.00 0.00 H new ATOM 1048 N ALA A 67 -9.371 8.095 3.388 1.00 0.00 N ATOM 1049 CA ALA A 67 -8.363 8.392 4.400 1.00 0.00 C ATOM 1050 C ALA A 67 -7.052 8.749 3.721 1.00 0.00 C ATOM 1051 O ALA A 67 -6.666 8.138 2.722 1.00 0.00 O ATOM 1052 CB ALA A 67 -8.136 7.190 5.313 1.00 0.00 C ATOM 0 H ALA A 67 -9.000 7.593 2.582 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.718 9.229 5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.380 7.437 6.059 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.069 6.932 5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -7.796 6.341 4.719 1.00 0.00 H new ATOM 1058 N ARG A 68 -6.335 9.711 4.295 1.00 0.00 N ATOM 1059 CA ARG A 68 -5.068 10.171 3.726 1.00 0.00 C ATOM 1060 C ARG A 68 -3.866 9.488 4.351 1.00 0.00 C ATOM 1061 O ARG A 68 -2.770 9.615 3.821 1.00 0.00 O ATOM 1062 CB ARG A 68 -4.939 11.696 3.819 1.00 0.00 C ATOM 1063 CG ARG A 68 -4.586 12.261 5.197 1.00 0.00 C ATOM 1064 CD ARG A 68 -4.779 13.777 5.131 1.00 0.00 C ATOM 1065 NE ARG A 68 -4.191 14.438 6.296 1.00 0.00 N ATOM 1066 CZ ARG A 68 -4.380 15.710 6.645 1.00 0.00 C ATOM 1067 NH1 ARG A 68 -5.186 16.504 5.948 1.00 0.00 N ATOM 1068 NH2 ARG A 68 -3.747 16.170 7.712 1.00 0.00 N ATOM 0 H ARG A 68 -6.608 10.188 5.154 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.081 9.890 2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.176 12.019 3.110 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -5.881 12.140 3.498 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.224 11.826 5.966 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.557 12.016 5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.322 14.165 4.221 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.843 14.008 5.077 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.584 13.877 6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.674 16.143 5.128 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.317 17.475 6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.132 15.555 8.245 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -3.874 17.140 8.001 1.00 0.00 H new ATOM 1082 N THR A 69 -4.024 8.833 5.494 1.00 0.00 N ATOM 1083 CA THR A 69 -2.899 8.314 6.244 1.00 0.00 C ATOM 1084 C THR A 69 -2.114 7.299 5.411 1.00 0.00 C ATOM 1085 O THR A 69 -2.689 6.514 4.651 1.00 0.00 O ATOM 1086 CB THR A 69 -3.401 7.759 7.590 1.00 0.00 C ATOM 1087 OG1 THR A 69 -4.783 7.426 7.557 1.00 0.00 O ATOM 1088 CG2 THR A 69 -3.245 8.846 8.658 1.00 0.00 C ATOM 0 H THR A 69 -4.932 8.650 5.921 1.00 0.00 H new ATOM 0 HA THR A 69 -2.192 9.112 6.470 1.00 0.00 H new ATOM 0 HB THR A 69 -2.818 6.863 7.804 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.056 7.077 8.431 1.00 0.00 H new ATOM 0 HG21 THR A 69 -3.597 8.467 9.617 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.195 9.126 8.742 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.832 9.720 8.376 1.00 0.00 H new ATOM 1096 N VAL A 70 -0.793 7.344 5.556 1.00 0.00 N ATOM 1097 CA VAL A 70 0.157 6.389 5.017 1.00 0.00 C ATOM 1098 C VAL A 70 0.684 5.527 6.176 1.00 0.00 C ATOM 1099 O VAL A 70 0.627 5.977 7.327 1.00 0.00 O ATOM 1100 CB VAL A 70 1.294 7.116 4.260 1.00 0.00 C ATOM 1101 CG1 VAL A 70 0.893 7.310 2.797 1.00 0.00 C ATOM 1102 CG2 VAL A 70 1.678 8.484 4.852 1.00 0.00 C ATOM 0 H VAL A 70 -0.337 8.090 6.082 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.327 5.739 4.288 1.00 0.00 H new ATOM 0 HB VAL A 70 2.171 6.476 4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.695 7.822 2.265 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.715 6.338 2.337 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.017 7.908 2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.482 8.924 4.261 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.811 9.145 4.834 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.014 8.354 5.881 1.00 0.00 H new ATOM 1112 N PRO A 71 1.214 4.321 5.910 1.00 0.00 N ATOM 1113 CA PRO A 71 1.260 3.662 4.609 1.00 0.00 C ATOM 1114 C PRO A 71 -0.152 3.319 4.147 1.00 0.00 C ATOM 1115 O PRO A 71 -0.994 2.912 4.949 1.00 0.00 O ATOM 1116 CB PRO A 71 2.073 2.386 4.815 1.00 0.00 C ATOM 1117 CG PRO A 71 1.823 2.067 6.283 1.00 0.00 C ATOM 1118 CD PRO A 71 1.721 3.438 6.938 1.00 0.00 C ATOM 0 HA PRO A 71 1.707 4.302 3.848 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.736 1.581 4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 71 3.132 2.542 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.908 1.490 6.417 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.636 1.479 6.709 1.00 0.00 H new ATOM 0 HD2 PRO A 71 1.052 3.413 7.799 1.00 0.00 H new ATOM 0 HD3 PRO A 71 2.693 3.774 7.299 1.00 0.00 H new ATOM 1126 N ARG A 72 -0.417 3.477 2.850 1.00 0.00 N ATOM 1127 CA ARG A 72 -1.718 3.154 2.284 1.00 0.00 C ATOM 1128 C ARG A 72 -1.531 1.914 1.432 1.00 0.00 C ATOM 1129 O ARG A 72 -1.102 2.029 0.280 1.00 0.00 O ATOM 1130 CB ARG A 72 -2.326 4.344 1.524 1.00 0.00 C ATOM 1131 CG ARG A 72 -3.798 4.028 1.229 1.00 0.00 C ATOM 1132 CD ARG A 72 -4.403 4.837 0.092 1.00 0.00 C ATOM 1133 NE ARG A 72 -3.795 4.453 -1.197 1.00 0.00 N ATOM 1134 CZ ARG A 72 -4.326 4.657 -2.406 1.00 0.00 C ATOM 1135 NH1 ARG A 72 -5.525 5.215 -2.520 1.00 0.00 N ATOM 1136 NH2 ARG A 72 -3.648 4.321 -3.496 1.00 0.00 N ATOM 0 H ARG A 72 0.259 3.829 2.172 1.00 0.00 H new ATOM 0 HA ARG A 72 -2.447 2.945 3.067 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.245 5.255 2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.782 4.519 0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -3.888 2.968 0.991 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.382 4.203 2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.480 4.674 0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -4.247 5.901 0.272 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.887 3.990 -1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.042 5.488 -1.684 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.930 5.370 -3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.720 3.906 -3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.055 4.477 -4.418 1.00 0.00 H new ATOM 1150 N VAL A 73 -1.827 0.744 1.996 1.00 0.00 N ATOM 1151 CA VAL A 73 -1.771 -0.502 1.252 1.00 0.00 C ATOM 1152 C VAL A 73 -2.969 -0.529 0.307 1.00 0.00 C ATOM 1153 O VAL A 73 -4.114 -0.371 0.736 1.00 0.00 O ATOM 1154 CB VAL A 73 -1.769 -1.712 2.207 1.00 0.00 C ATOM 1155 CG1 VAL A 73 -1.931 -3.034 1.437 1.00 0.00 C ATOM 1156 CG2 VAL A 73 -0.493 -1.775 3.048 1.00 0.00 C ATOM 0 H VAL A 73 -2.109 0.639 2.971 1.00 0.00 H new ATOM 0 HA VAL A 73 -0.848 -0.564 0.676 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.620 -1.577 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.926 -3.867 2.140 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.875 -3.025 0.893 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.107 -3.148 0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.534 -2.643 3.707 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.372 -1.859 2.391 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.407 -0.868 3.647 1.00 0.00 H new ATOM 1166 N PHE A 74 -2.692 -0.751 -0.975 1.00 0.00 N ATOM 1167 CA PHE A 74 -3.677 -0.830 -2.032 1.00 0.00 C ATOM 1168 C PHE A 74 -3.493 -2.205 -2.689 1.00 0.00 C ATOM 1169 O PHE A 74 -2.630 -2.398 -3.548 1.00 0.00 O ATOM 1170 CB PHE A 74 -3.513 0.385 -2.968 1.00 0.00 C ATOM 1171 CG PHE A 74 -4.797 0.947 -3.536 1.00 0.00 C ATOM 1172 CD1 PHE A 74 -5.652 1.715 -2.726 1.00 0.00 C ATOM 1173 CD2 PHE A 74 -5.112 0.759 -4.889 1.00 0.00 C ATOM 1174 CE1 PHE A 74 -6.820 2.276 -3.276 1.00 0.00 C ATOM 1175 CE2 PHE A 74 -6.269 1.346 -5.432 1.00 0.00 C ATOM 1176 CZ PHE A 74 -7.139 2.085 -4.622 1.00 0.00 C ATOM 0 H PHE A 74 -1.738 -0.885 -1.311 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.709 -0.769 -1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.001 1.177 -2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.864 0.099 -3.796 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -5.413 1.874 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.465 0.163 -5.515 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -7.477 2.861 -2.650 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -6.488 1.226 -6.483 1.00 0.00 H new ATOM 0 HZ PHE A 74 -8.046 2.503 -5.033 1.00 0.00 H new ATOM 1186 N ILE A 75 -4.262 -3.194 -2.238 1.00 0.00 N ATOM 1187 CA ILE A 75 -4.228 -4.556 -2.749 1.00 0.00 C ATOM 1188 C ILE A 75 -5.133 -4.517 -3.990 1.00 0.00 C ATOM 1189 O ILE A 75 -6.318 -4.214 -3.889 1.00 0.00 O ATOM 1190 CB ILE A 75 -4.631 -5.563 -1.620 1.00 0.00 C ATOM 1191 CG1 ILE A 75 -3.437 -6.397 -1.082 1.00 0.00 C ATOM 1192 CG2 ILE A 75 -5.658 -6.596 -2.084 1.00 0.00 C ATOM 1193 CD1 ILE A 75 -2.663 -5.809 0.077 1.00 0.00 C ATOM 0 H ILE A 75 -4.942 -3.064 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.244 -4.916 -3.048 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.036 -4.912 -0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.814 -7.374 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.742 -6.565 -1.905 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -5.898 -7.266 -1.259 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -6.564 -6.086 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.245 -7.173 -2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.857 -6.487 0.358 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.242 -4.847 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.331 -5.668 0.927 1.00 0.00 H new ATOM 1205 N GLY A 76 -4.579 -4.779 -5.176 1.00 0.00 N ATOM 1206 CA GLY A 76 -5.323 -5.041 -6.404 1.00 0.00 C ATOM 1207 C GLY A 76 -6.386 -3.996 -6.720 1.00 0.00 C ATOM 1208 O GLY A 76 -7.579 -4.304 -6.726 1.00 0.00 O ATOM 0 H GLY A 76 -3.568 -4.815 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.622 -5.094 -7.237 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.800 -6.018 -6.326 1.00 0.00 H new ATOM 1212 N LYS A 77 -5.952 -2.770 -7.015 1.00 0.00 N ATOM 1213 CA LYS A 77 -6.787 -1.599 -7.190 1.00 0.00 C ATOM 1214 C LYS A 77 -7.875 -1.375 -6.123 1.00 0.00 C ATOM 1215 O LYS A 77 -8.894 -0.759 -6.438 1.00 0.00 O ATOM 1216 CB LYS A 77 -7.309 -1.536 -8.640 1.00 0.00 C ATOM 1217 CG LYS A 77 -7.269 -0.076 -9.091 1.00 0.00 C ATOM 1218 CD LYS A 77 -8.254 0.334 -10.180 1.00 0.00 C ATOM 1219 CE LYS A 77 -7.864 -0.219 -11.555 1.00 0.00 C ATOM 1220 NZ LYS A 77 -8.492 0.568 -12.634 1.00 0.00 N ATOM 0 H LYS A 77 -4.961 -2.565 -7.143 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.140 -0.740 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -6.694 -2.154 -9.294 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.326 -1.925 -8.697 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.445 0.554 -8.219 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.261 0.143 -9.444 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.251 -0.021 -9.918 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.305 1.422 -10.230 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.780 -0.197 -11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.172 -1.262 -11.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -8.214 0.176 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -9.527 0.526 -12.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -8.178 1.557 -12.570 1.00 0.00 H new ATOM 1234 N ASP A 78 -7.657 -1.763 -4.866 1.00 0.00 N ATOM 1235 CA ASP A 78 -8.547 -1.422 -3.757 1.00 0.00 C ATOM 1236 C ASP A 78 -7.733 -1.174 -2.488 1.00 0.00 C ATOM 1237 O ASP A 78 -6.670 -1.769 -2.326 1.00 0.00 O ATOM 1238 CB ASP A 78 -9.522 -2.582 -3.540 1.00 0.00 C ATOM 1239 CG ASP A 78 -10.651 -2.212 -2.590 1.00 0.00 C ATOM 1240 OD1 ASP A 78 -11.198 -1.095 -2.720 1.00 0.00 O ATOM 1241 OD2 ASP A 78 -11.053 -3.072 -1.776 1.00 0.00 O ATOM 0 H ASP A 78 -6.853 -2.326 -4.588 1.00 0.00 H new ATOM 0 HA ASP A 78 -9.101 -0.513 -3.992 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.941 -2.887 -4.499 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.981 -3.440 -3.142 1.00 0.00 H new ATOM 1246 N CYS A 79 -8.174 -0.291 -1.591 1.00 0.00 N ATOM 1247 CA CYS A 79 -7.457 0.010 -0.350 1.00 0.00 C ATOM 1248 C CYS A 79 -7.908 -0.932 0.758 1.00 0.00 C ATOM 1249 O CYS A 79 -9.112 -1.132 0.908 1.00 0.00 O ATOM 1250 CB CYS A 79 -7.723 1.463 0.066 1.00 0.00 C ATOM 1251 SG CYS A 79 -6.491 1.965 1.281 1.00 0.00 S ATOM 0 H CYS A 79 -9.040 0.237 -1.704 1.00 0.00 H new ATOM 0 HA CYS A 79 -6.389 -0.127 -0.519 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -7.680 2.117 -0.805 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.725 1.556 0.486 1.00 0.00 H new ATOM 0 HG CYS A 79 -5.471 1.161 1.223 1.00 0.00 H new ATOM 1257 N ILE A 80 -6.984 -1.425 1.592 1.00 0.00 N ATOM 1258 CA ILE A 80 -7.356 -2.203 2.763 1.00 0.00 C ATOM 1259 C ILE A 80 -7.702 -1.315 3.964 1.00 0.00 C ATOM 1260 O ILE A 80 -8.190 -1.832 4.964 1.00 0.00 O ATOM 1261 CB ILE A 80 -6.299 -3.284 3.030 1.00 0.00 C ATOM 1262 CG1 ILE A 80 -4.927 -2.757 3.454 1.00 0.00 C ATOM 1263 CG2 ILE A 80 -6.125 -4.190 1.796 1.00 0.00 C ATOM 1264 CD1 ILE A 80 -4.876 -2.318 4.913 1.00 0.00 C ATOM 0 H ILE A 80 -5.979 -1.296 1.472 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.287 -2.734 2.566 1.00 0.00 H new ATOM 0 HB ILE A 80 -6.690 -3.845 3.879 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.180 -3.533 3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.657 -1.914 2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.372 -4.949 2.006 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.073 -4.674 1.563 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.807 -3.588 0.945 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.876 -1.955 5.149 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.600 -1.520 5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.116 -3.165 5.556 1.00 0.00 H new ATOM 1276 N GLY A 81 -7.485 0.002 3.891 1.00 0.00 N ATOM 1277 CA GLY A 81 -7.632 0.939 4.997 1.00 0.00 C ATOM 1278 C GLY A 81 -6.415 1.840 4.992 1.00 0.00 C ATOM 1279 O GLY A 81 -6.379 2.857 4.300 1.00 0.00 O ATOM 0 H GLY A 81 -7.192 0.456 3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.544 1.525 4.885 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.711 0.405 5.944 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.386 1.383 5.687 1.00 0.00 N ATOM 1284 CA GLY A 82 -4.023 1.863 5.553 1.00 0.00 C ATOM 1285 C GLY A 82 -3.080 0.960 6.335 1.00 0.00 C ATOM 1286 O GLY A 82 -2.474 0.067 5.740 1.00 0.00 O ATOM 0 H GLY A 82 -5.481 0.643 6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.736 1.881 4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.950 2.886 5.921 1.00 0.00 H new ATOM 1290 N CYS A 83 -2.991 1.150 7.657 1.00 0.00 N ATOM 1291 CA CYS A 83 -2.019 0.468 8.509 1.00 0.00 C ATOM 1292 C CYS A 83 -2.682 -0.236 9.697 1.00 0.00 C ATOM 1293 O CYS A 83 -2.271 -1.345 10.027 1.00 0.00 O ATOM 1294 CB CYS A 83 -0.887 1.447 8.898 1.00 0.00 C ATOM 1295 SG CYS A 83 -0.368 1.396 10.642 1.00 0.00 S ATOM 0 H CYS A 83 -3.600 1.789 8.167 1.00 0.00 H new ATOM 0 HA CYS A 83 -1.556 -0.343 7.947 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -0.019 1.237 8.273 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -1.211 2.461 8.664 1.00 0.00 H new ATOM 0 HG CYS A 83 0.585 2.259 10.837 1.00 0.00 H new ATOM 1301 N SER A 84 -3.699 0.336 10.346 1.00 0.00 N ATOM 1302 CA SER A 84 -4.282 -0.327 11.518 1.00 0.00 C ATOM 1303 C SER A 84 -5.197 -1.493 11.099 1.00 0.00 C ATOM 1304 O SER A 84 -5.327 -2.493 11.811 1.00 0.00 O ATOM 1305 CB SER A 84 -4.964 0.714 12.411 1.00 0.00 C ATOM 1306 OG SER A 84 -4.958 0.276 13.759 1.00 0.00 O ATOM 0 H SER A 84 -4.126 1.227 10.093 1.00 0.00 H new ATOM 0 HA SER A 84 -3.495 -0.786 12.116 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.447 1.670 12.329 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.989 0.876 12.077 1.00 0.00 H new ATOM 0 HG SER A 84 -5.394 0.948 14.323 1.00 0.00 H new ATOM 1312 N ASP A 85 -5.750 -1.421 9.888 1.00 0.00 N ATOM 1313 CA ASP A 85 -6.385 -2.543 9.207 1.00 0.00 C ATOM 1314 C ASP A 85 -5.314 -3.571 8.879 1.00 0.00 C ATOM 1315 O ASP A 85 -5.513 -4.761 9.098 1.00 0.00 O ATOM 1316 CB ASP A 85 -7.063 -2.086 7.908 1.00 0.00 C ATOM 1317 CG ASP A 85 -8.414 -1.425 8.160 1.00 0.00 C ATOM 1318 OD1 ASP A 85 -8.436 -0.333 8.776 1.00 0.00 O ATOM 1319 OD2 ASP A 85 -9.459 -1.995 7.771 1.00 0.00 O ATOM 0 H ASP A 85 -5.768 -0.559 9.343 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.148 -2.970 9.857 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.410 -1.385 7.387 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.198 -2.945 7.250 1.00 0.00 H new ATOM 1324 N LEU A 86 -4.153 -3.123 8.382 1.00 0.00 N ATOM 1325 CA LEU A 86 -3.054 -4.007 8.010 1.00 0.00 C ATOM 1326 C LEU A 86 -2.581 -4.832 9.209 1.00 0.00 C ATOM 1327 O LEU A 86 -2.237 -6.002 9.051 1.00 0.00 O ATOM 1328 CB LEU A 86 -1.885 -3.212 7.416 1.00 0.00 C ATOM 1329 CG LEU A 86 -0.816 -4.106 6.773 1.00 0.00 C ATOM 1330 CD1 LEU A 86 -1.329 -4.820 5.517 1.00 0.00 C ATOM 1331 CD2 LEU A 86 0.396 -3.230 6.451 1.00 0.00 C ATOM 0 H LEU A 86 -3.955 -2.134 8.229 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.426 -4.692 7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.268 -2.518 6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.425 -2.612 8.201 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.542 -4.896 7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.535 -5.439 5.101 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.180 -5.449 5.778 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.637 -4.080 4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.174 -3.840 5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.100 -2.439 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.778 -2.786 7.370 1.00 0.00 H new ATOM 1343 N VAL A 87 -2.579 -4.244 10.407 1.00 0.00 N ATOM 1344 CA VAL A 87 -2.306 -4.925 11.647 1.00 0.00 C ATOM 1345 C VAL A 87 -3.339 -6.036 11.863 1.00 0.00 C ATOM 1346 O VAL A 87 -2.918 -7.149 12.162 1.00 0.00 O ATOM 1347 CB VAL A 87 -2.248 -3.856 12.754 1.00 0.00 C ATOM 1348 CG1 VAL A 87 -2.401 -4.440 14.150 1.00 0.00 C ATOM 1349 CG2 VAL A 87 -0.924 -3.076 12.676 1.00 0.00 C ATOM 0 H VAL A 87 -2.775 -3.251 10.531 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.345 -5.439 11.648 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.092 -3.188 12.581 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -2.352 -3.639 14.887 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.363 -4.947 14.229 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.598 -5.154 14.336 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.898 -2.324 13.465 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -0.088 -3.764 12.803 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.847 -2.586 11.705 1.00 0.00 H new ATOM 1359 N SER A 88 -4.645 -5.796 11.672 1.00 0.00 N ATOM 1360 CA SER A 88 -5.673 -6.824 11.875 1.00 0.00 C ATOM 1361 C SER A 88 -5.396 -7.943 10.876 1.00 0.00 C ATOM 1362 O SER A 88 -5.380 -9.115 11.241 1.00 0.00 O ATOM 1363 CB SER A 88 -7.075 -6.306 11.530 1.00 0.00 C ATOM 1364 OG SER A 88 -7.888 -6.219 12.684 1.00 0.00 O ATOM 0 H SER A 88 -5.014 -4.893 11.375 1.00 0.00 H new ATOM 0 HA SER A 88 -5.640 -7.136 12.919 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.998 -5.325 11.062 1.00 0.00 H new ATOM 0 HB3 SER A 88 -7.542 -6.970 10.803 1.00 0.00 H new ATOM 0 HG SER A 88 -8.775 -5.885 12.435 1.00 0.00 H new ATOM 1370 N LEU A 89 -5.186 -7.572 9.609 1.00 0.00 N ATOM 1371 CA LEU A 89 -4.923 -8.498 8.527 1.00 0.00 C ATOM 1372 C LEU A 89 -3.706 -9.354 8.888 1.00 0.00 C ATOM 1373 O LEU A 89 -3.733 -10.549 8.620 1.00 0.00 O ATOM 1374 CB LEU A 89 -4.743 -7.725 7.207 1.00 0.00 C ATOM 1375 CG LEU A 89 -6.044 -7.146 6.610 1.00 0.00 C ATOM 1376 CD1 LEU A 89 -5.781 -5.823 5.897 1.00 0.00 C ATOM 1377 CD2 LEU A 89 -6.626 -8.069 5.536 1.00 0.00 C ATOM 0 H LEU A 89 -5.196 -6.597 9.311 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.768 -9.171 8.381 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.042 -6.907 7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.288 -8.390 6.473 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.727 -7.027 7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.715 -5.439 5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.373 -5.103 6.606 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.067 -5.981 5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.541 -7.631 5.137 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.902 -8.192 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.850 -9.041 5.975 1.00 0.00 H new ATOM 1389 N GLN A 90 -2.653 -8.807 9.504 1.00 0.00 N ATOM 1390 CA GLN A 90 -1.563 -9.632 10.007 1.00 0.00 C ATOM 1391 C GLN A 90 -2.075 -10.559 11.120 1.00 0.00 C ATOM 1392 O GLN A 90 -1.917 -11.770 11.008 1.00 0.00 O ATOM 1393 CB GLN A 90 -0.370 -8.776 10.470 1.00 0.00 C ATOM 1394 CG GLN A 90 0.813 -9.682 10.857 1.00 0.00 C ATOM 1395 CD GLN A 90 1.993 -8.916 11.445 1.00 0.00 C ATOM 1396 OE1 GLN A 90 1.844 -8.069 12.324 1.00 0.00 O ATOM 1397 NE2 GLN A 90 3.208 -9.229 11.037 1.00 0.00 N ATOM 0 H GLN A 90 -2.537 -7.806 9.663 1.00 0.00 H new ATOM 0 HA GLN A 90 -1.195 -10.255 9.191 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.071 -8.094 9.674 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.662 -8.162 11.322 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.473 -10.423 11.581 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.147 -10.228 9.975 1.00 0.00 H new ATOM 0 HE21 GLN A 90 3.336 -9.931 10.308 1.00 0.00 H new ATOM 0 HE22 GLN A 90 4.019 -8.769 11.450 1.00 0.00 H new ATOM 1406 N GLN A 91 -2.633 -10.010 12.203 1.00 0.00 N ATOM 1407 CA GLN A 91 -2.877 -10.699 13.455 1.00 0.00 C ATOM 1408 C GLN A 91 -3.901 -11.827 13.265 1.00 0.00 C ATOM 1409 O GLN A 91 -3.658 -12.965 13.652 1.00 0.00 O ATOM 1410 CB GLN A 91 -3.409 -9.630 14.422 1.00 0.00 C ATOM 1411 CG GLN A 91 -2.564 -9.527 15.679 1.00 0.00 C ATOM 1412 CD GLN A 91 -2.693 -10.719 16.617 1.00 0.00 C ATOM 1413 OE1 GLN A 91 -3.793 -11.068 17.037 1.00 0.00 O ATOM 1414 NE2 GLN A 91 -1.586 -11.352 16.966 1.00 0.00 N ATOM 0 H GLN A 91 -2.935 -9.036 12.223 1.00 0.00 H new ATOM 0 HA GLN A 91 -1.971 -11.167 13.839 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -3.428 -8.664 13.918 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -4.437 -9.868 14.695 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -1.518 -9.416 15.392 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -2.844 -8.622 16.219 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.685 -11.042 16.603 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -1.633 -12.151 17.599 1.00 0.00 H new ATOM 1423 N SER A 92 -5.037 -11.503 12.646 1.00 0.00 N ATOM 1424 CA SER A 92 -6.101 -12.421 12.270 1.00 0.00 C ATOM 1425 C SER A 92 -5.724 -13.244 11.033 1.00 0.00 C ATOM 1426 O SER A 92 -6.536 -14.052 10.582 1.00 0.00 O ATOM 1427 CB SER A 92 -7.357 -11.580 11.998 1.00 0.00 C ATOM 1428 OG SER A 92 -8.504 -12.360 11.718 1.00 0.00 O ATOM 0 H SER A 92 -5.246 -10.540 12.381 1.00 0.00 H new ATOM 0 HA SER A 92 -6.278 -13.133 13.076 1.00 0.00 H new ATOM 0 HB2 SER A 92 -7.558 -10.949 12.864 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.165 -10.914 11.157 1.00 0.00 H new ATOM 0 HG SER A 92 -8.235 -13.185 11.263 1.00 0.00 H new ATOM 1434 N GLY A 93 -4.552 -13.011 10.438 1.00 0.00 N ATOM 1435 CA GLY A 93 -4.089 -13.691 9.247 1.00 0.00 C ATOM 1436 C GLY A 93 -4.881 -13.342 7.989 1.00 0.00 C ATOM 1437 O GLY A 93 -4.603 -13.949 6.951 1.00 0.00 O ATOM 0 H GLY A 93 -3.887 -12.322 10.789 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.040 -13.444 9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.142 -14.767 9.411 1.00 0.00 H new ATOM 1441 N GLU A 94 -5.834 -12.389 8.013 1.00 0.00 N ATOM 1442 CA GLU A 94 -6.628 -12.139 6.819 1.00 0.00 C ATOM 1443 C GLU A 94 -5.739 -11.591 5.684 1.00 0.00 C ATOM 1444 O GLU A 94 -6.070 -11.771 4.516 1.00 0.00 O ATOM 1445 CB GLU A 94 -7.860 -11.270 7.140 1.00 0.00 C ATOM 1446 CG GLU A 94 -8.824 -11.233 5.935 1.00 0.00 C ATOM 1447 CD GLU A 94 -9.993 -10.254 6.037 1.00 0.00 C ATOM 1448 OE1 GLU A 94 -10.046 -9.413 6.962 1.00 0.00 O ATOM 1449 OE2 GLU A 94 -10.805 -10.244 5.080 1.00 0.00 O ATOM 0 H GLU A 94 -6.059 -11.806 8.819 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.035 -13.081 6.450 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -8.376 -11.668 8.014 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -7.543 -10.258 7.391 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -8.248 -10.987 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -9.228 -12.235 5.788 1.00 0.00 H new ATOM 1456 N LEU A 95 -4.568 -11.014 5.989 1.00 0.00 N ATOM 1457 CA LEU A 95 -3.575 -10.548 5.023 1.00 0.00 C ATOM 1458 C LEU A 95 -3.252 -11.613 3.982 1.00 0.00 C ATOM 1459 O LEU A 95 -3.099 -11.289 2.808 1.00 0.00 O ATOM 1460 CB LEU A 95 -2.281 -10.123 5.748 1.00 0.00 C ATOM 1461 CG LEU A 95 -1.231 -9.429 4.863 1.00 0.00 C ATOM 1462 CD1 LEU A 95 -1.819 -8.278 4.033 1.00 0.00 C ATOM 1463 CD2 LEU A 95 -0.121 -8.877 5.770 1.00 0.00 C ATOM 0 H LEU A 95 -4.280 -10.855 6.954 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.004 -9.690 4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.545 -9.451 6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -1.828 -11.007 6.196 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.846 -10.168 4.160 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.032 -7.826 3.429 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.602 -8.663 3.380 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -2.240 -7.526 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.634 -8.381 5.160 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -0.548 -8.161 6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 95 0.340 -9.697 6.321 1.00 0.00 H new ATOM 1475 N LEU A 96 -3.149 -12.877 4.394 1.00 0.00 N ATOM 1476 CA LEU A 96 -2.801 -13.969 3.497 1.00 0.00 C ATOM 1477 C LEU A 96 -3.915 -14.130 2.464 1.00 0.00 C ATOM 1478 O LEU A 96 -3.650 -14.130 1.260 1.00 0.00 O ATOM 1479 CB LEU A 96 -2.573 -15.271 4.296 1.00 0.00 C ATOM 1480 CG LEU A 96 -1.259 -15.394 5.102 1.00 0.00 C ATOM 1481 CD1 LEU A 96 -0.027 -15.469 4.193 1.00 0.00 C ATOM 1482 CD2 LEU A 96 -1.042 -14.289 6.144 1.00 0.00 C ATOM 0 H LEU A 96 -3.305 -13.168 5.359 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.869 -13.744 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.405 -15.390 4.990 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.618 -16.107 3.597 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.378 -16.331 5.645 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.871 -15.555 4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.107 -16.340 3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.032 -14.566 3.585 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.097 -14.456 6.660 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.017 -13.320 5.646 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.858 -14.305 6.867 1.00 0.00 H new ATOM 1494 N THR A 97 -5.160 -14.220 2.929 1.00 0.00 N ATOM 1495 CA THR A 97 -6.355 -14.278 2.102 1.00 0.00 C ATOM 1496 C THR A 97 -6.409 -13.051 1.184 1.00 0.00 C ATOM 1497 O THR A 97 -6.476 -13.204 -0.033 1.00 0.00 O ATOM 1498 CB THR A 97 -7.587 -14.383 3.023 1.00 0.00 C ATOM 1499 OG1 THR A 97 -7.335 -15.322 4.053 1.00 0.00 O ATOM 1500 CG2 THR A 97 -8.838 -14.825 2.261 1.00 0.00 C ATOM 0 H THR A 97 -5.367 -14.255 3.927 1.00 0.00 H new ATOM 0 HA THR A 97 -6.341 -15.156 1.457 1.00 0.00 H new ATOM 0 HB THR A 97 -7.766 -13.390 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 97 -8.119 -15.385 4.637 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.681 -14.885 2.949 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.061 -14.102 1.477 1.00 0.00 H new ATOM 0 HG23 THR A 97 -8.665 -15.803 1.813 1.00 0.00 H new ATOM 1508 N ARG A 98 -6.323 -11.843 1.749 1.00 0.00 N ATOM 1509 CA ARG A 98 -6.362 -10.553 1.065 1.00 0.00 C ATOM 1510 C ARG A 98 -5.330 -10.479 -0.051 1.00 0.00 C ATOM 1511 O ARG A 98 -5.609 -9.910 -1.101 1.00 0.00 O ATOM 1512 CB ARG A 98 -6.150 -9.452 2.118 1.00 0.00 C ATOM 1513 CG ARG A 98 -6.245 -8.017 1.583 1.00 0.00 C ATOM 1514 CD ARG A 98 -7.620 -7.611 1.036 1.00 0.00 C ATOM 1515 NE ARG A 98 -8.604 -7.418 2.116 1.00 0.00 N ATOM 1516 CZ ARG A 98 -9.410 -8.307 2.710 1.00 0.00 C ATOM 1517 NH1 ARG A 98 -9.623 -9.530 2.232 1.00 0.00 N ATOM 1518 NH2 ARG A 98 -10.002 -7.962 3.838 1.00 0.00 N ATOM 0 H ARG A 98 -6.218 -11.736 2.758 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.330 -10.417 0.583 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.890 -9.579 2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.169 -9.590 2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.973 -7.329 2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.506 -7.892 0.792 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.525 -6.689 0.462 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.979 -8.378 0.350 1.00 0.00 H new ATOM 0 HE ARG A 98 -8.683 -6.462 2.464 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.162 -9.829 1.373 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.248 -10.168 2.725 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.841 -7.037 4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.621 -8.620 4.311 1.00 0.00 H new ATOM 1532 N LEU A 99 -4.138 -11.034 0.151 1.00 0.00 N ATOM 1533 CA LEU A 99 -3.125 -11.075 -0.887 1.00 0.00 C ATOM 1534 C LEU A 99 -3.486 -12.118 -1.925 1.00 0.00 C ATOM 1535 O LEU A 99 -3.453 -11.804 -3.112 1.00 0.00 O ATOM 1536 CB LEU A 99 -1.753 -11.349 -0.244 1.00 0.00 C ATOM 1537 CG LEU A 99 -1.169 -10.158 0.535 1.00 0.00 C ATOM 1538 CD1 LEU A 99 -0.046 -10.663 1.442 1.00 0.00 C ATOM 1539 CD2 LEU A 99 -0.605 -9.099 -0.413 1.00 0.00 C ATOM 0 H LEU A 99 -3.854 -11.463 1.032 1.00 0.00 H new ATOM 0 HA LEU A 99 -3.073 -10.115 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.845 -12.200 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.050 -11.637 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 99 -1.967 -9.704 1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.376 -9.826 1.999 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -0.445 -11.399 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.733 -11.124 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.200 -8.270 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.187 -9.538 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.399 -8.732 -1.063 1.00 0.00 H new ATOM 1551 N LYS A 100 -3.824 -13.355 -1.557 1.00 0.00 N ATOM 1552 CA LYS A 100 -4.164 -14.336 -2.590 1.00 0.00 C ATOM 1553 C LYS A 100 -5.393 -13.938 -3.400 1.00 0.00 C ATOM 1554 O LYS A 100 -5.493 -14.348 -4.552 1.00 0.00 O ATOM 1555 CB LYS A 100 -4.281 -15.756 -2.034 1.00 0.00 C ATOM 1556 CG LYS A 100 -3.214 -16.608 -2.743 1.00 0.00 C ATOM 1557 CD LYS A 100 -3.434 -18.111 -2.465 1.00 0.00 C ATOM 1558 CE LYS A 100 -2.368 -19.080 -3.020 1.00 0.00 C ATOM 1559 NZ LYS A 100 -2.249 -19.094 -4.495 1.00 0.00 N ATOM 0 H LYS A 100 -3.869 -13.692 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.324 -14.339 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.124 -15.762 -0.955 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.278 -16.159 -2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.250 -16.424 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.222 -16.313 -2.402 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.494 -18.253 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.402 -18.396 -2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.400 -18.816 -2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.601 -20.089 -2.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.710 -19.932 -4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.198 -19.124 -4.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.755 -18.235 -4.812 1.00 0.00 H new ATOM 1573 N GLN A 101 -6.263 -13.101 -2.844 1.00 0.00 N ATOM 1574 CA GLN A 101 -7.365 -12.435 -3.528 1.00 0.00 C ATOM 1575 C GLN A 101 -6.918 -11.683 -4.798 1.00 0.00 C ATOM 1576 O GLN A 101 -7.758 -11.453 -5.669 1.00 0.00 O ATOM 1577 CB GLN A 101 -8.066 -11.508 -2.517 1.00 0.00 C ATOM 1578 CG GLN A 101 -9.541 -11.206 -2.804 1.00 0.00 C ATOM 1579 CD GLN A 101 -10.282 -10.710 -1.553 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -9.706 -10.213 -0.582 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -11.599 -10.832 -1.535 1.00 0.00 N ATOM 0 H GLN A 101 -6.216 -12.857 -1.855 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.067 -13.187 -3.887 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.992 -11.959 -1.527 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.522 -10.564 -2.479 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.611 -10.453 -3.589 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.028 -12.105 -3.181 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -12.084 -11.242 -2.333 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -12.129 -10.516 -0.723 1.00 0.00 H new ATOM 1590 N ILE A 102 -5.628 -11.337 -4.956 1.00 0.00 N ATOM 1591 CA ILE A 102 -5.111 -10.769 -6.214 1.00 0.00 C ATOM 1592 C ILE A 102 -4.137 -11.702 -6.960 1.00 0.00 C ATOM 1593 O ILE A 102 -3.502 -11.274 -7.924 1.00 0.00 O ATOM 1594 CB ILE A 102 -4.530 -9.362 -5.971 1.00 0.00 C ATOM 1595 CG1 ILE A 102 -3.190 -9.390 -5.216 1.00 0.00 C ATOM 1596 CG2 ILE A 102 -5.497 -8.488 -5.180 1.00 0.00 C ATOM 1597 CD1 ILE A 102 -2.055 -8.826 -6.057 1.00 0.00 C ATOM 0 H ILE A 102 -4.923 -11.441 -4.226 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.958 -10.669 -6.893 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.367 -8.945 -6.965 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -3.280 -8.815 -4.295 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -2.955 -10.415 -4.930 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.055 -7.503 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.430 -8.385 -5.734 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.698 -8.950 -4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -1.126 -8.864 -5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -1.947 -9.417 -6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -2.277 -7.792 -6.321 1.00 0.00 H new ATOM 1609 N GLY A 103 -3.989 -12.959 -6.532 1.00 0.00 N ATOM 1610 CA GLY A 103 -3.043 -13.903 -7.122 1.00 0.00 C ATOM 1611 C GLY A 103 -1.607 -13.600 -6.697 1.00 0.00 C ATOM 1612 O GLY A 103 -0.699 -13.634 -7.521 1.00 0.00 O ATOM 0 H GLY A 103 -4.528 -13.351 -5.760 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -3.305 -14.917 -6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -3.118 -13.863 -8.209 1.00 0.00 H new ATOM 1616 N ALA A 104 -1.407 -13.257 -5.421 1.00 0.00 N ATOM 1617 CA ALA A 104 -0.125 -12.908 -4.838 1.00 0.00 C ATOM 1618 C ALA A 104 0.584 -14.130 -4.309 1.00 0.00 C ATOM 1619 O ALA A 104 1.573 -14.524 -4.907 1.00 0.00 O ATOM 1620 CB ALA A 104 -0.412 -11.980 -3.669 1.00 0.00 C ATOM 0 H ALA A 104 -2.170 -13.216 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 104 0.509 -12.445 -5.594 1.00 0.00 H new ATOM 0 HB1 ALA A 104 0.526 -11.689 -3.197 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.928 -11.090 -4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -1.040 -12.494 -2.942 1.00 0.00 H new ATOM 1626 N LEU A 105 0.169 -14.702 -3.173 1.00 0.00 N ATOM 1627 CA LEU A 105 0.794 -15.930 -2.751 1.00 0.00 C ATOM 1628 C LEU A 105 0.499 -16.890 -3.896 1.00 0.00 C ATOM 1629 O LEU A 105 -0.627 -16.892 -4.412 1.00 0.00 O ATOM 1630 CB LEU A 105 0.266 -16.424 -1.395 1.00 0.00 C ATOM 1631 CG LEU A 105 -0.377 -15.416 -0.420 1.00 0.00 C ATOM 1632 CD1 LEU A 105 -0.967 -16.198 0.751 1.00 0.00 C ATOM 1633 CD2 LEU A 105 0.608 -14.372 0.114 1.00 0.00 C ATOM 0 H LEU A 105 -0.565 -14.343 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 105 1.864 -15.820 -2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.471 -17.202 -1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.097 -16.899 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 105 -1.142 -14.867 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.428 -15.506 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.720 -16.894 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.175 -16.753 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.089 -13.696 0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.416 -14.873 0.648 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.022 -13.803 -0.718 1.00 0.00 H new ATOM 1645 N GLN A 106 1.524 -17.609 -4.330 1.00 0.00 N ATOM 1646 CA GLN A 106 1.469 -18.270 -5.619 1.00 0.00 C ATOM 1647 C GLN A 106 0.485 -19.430 -5.538 1.00 0.00 C ATOM 1648 O GLN A 106 0.369 -20.056 -4.464 1.00 0.00 O ATOM 1649 CB GLN A 106 2.889 -18.603 -6.081 1.00 0.00 C ATOM 1650 CG GLN A 106 2.904 -19.155 -7.513 1.00 0.00 C ATOM 1651 CD GLN A 106 4.306 -19.131 -8.122 1.00 0.00 C ATOM 1652 OE1 GLN A 106 4.631 -18.276 -8.943 1.00 0.00 O ATOM 1653 NE2 GLN A 106 5.168 -20.058 -7.734 1.00 0.00 N ATOM 1654 OXT GLN A 106 -0.356 -19.540 -6.450 1.00 0.00 O ATOM 0 H GLN A 106 2.393 -17.747 -3.813 1.00 0.00 H new ATOM 0 HA GLN A 106 1.076 -17.627 -6.406 1.00 0.00 H new ATOM 0 HB2 GLN A 106 3.508 -17.707 -6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 106 3.330 -19.335 -5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 106 2.527 -20.178 -7.511 1.00 0.00 H new ATOM 0 HG3 GLN A 106 2.229 -18.568 -8.135 1.00 0.00 H new ATOM 0 HE21 GLN A 106 4.887 -20.762 -7.052 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.113 -20.068 -8.117 1.00 0.00 H new