USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1125 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+ -176:sc= 0.201 (180deg=0.195) USER MOD Set 1.2: A 112 MET CE :methyl 174:sc= 0 (180deg=0) USER MOD Set 1.3: A 143 THR OG1 : rot 65:sc= 1.24 USER MOD Set 2.1: A 64 GLN : amide:sc= 1.08 K(o=2.4,f=0.62) USER MOD Set 2.2: A 67 ASN : amide:sc= 0.0489 K(o=2.4,f=0.59) USER MOD Set 2.3: A 69 HIS : no HD1:sc= 1.26 K(o=2.4,f=-8.7!) USER MOD Set 3.1: A 31 GLN : amide:sc= 1.12 K(o=2.2,f=-0.31) USER MOD Set 3.2: A 35 ASN : amide:sc= 1.11 K(o=2.2,f=1.1) USER MOD Set 4.1: A 6 LYS NZ :NH3+ 166:sc= 0.814 (180deg=-0.0758) USER MOD Set 4.2: A 7 GLN : amide:sc= 1.33 K(o=2.1,f=-7.4!) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.444 K(o=0.44,f=-3.7!) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 1 (180deg=0.93) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.815 K(o=0.81,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0546 X(o=-0.055,f=-0.00097) USER MOD Single : A 30 MET CE :methyl 167:sc=-0.00739 (180deg=-0.158) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0.863 K(o=0.86,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.204 K(o=-0.2,f=-0.95) USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00658) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 1 (180deg=0.981) USER MOD Single : A 66 MET CE :methyl 165:sc=-0.00206 (180deg=-0.286) USER MOD Single : A 70 HIS : no HD1:sc= 0.679 K(o=1.8,f=-6.7!) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= 1.27 (180deg=1.11) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -127:sc= -0.0743 (180deg=-0.219) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -3.41! C(o=-3.4!,f=-4.7!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.248 X(o=-0.25,f=0.00038) USER MOD Single : A 95 HIS : no HD1:sc= 1.13 K(o=1.1,f=-4.4!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.155) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -1.34 K(o=-1.3,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.442 USER MOD Single : A 114 ASN : amide:sc= 0.646 K(o=0.65,f=-0.85) USER MOD Single : A 117 MET CE :methyl -179:sc= -0.783 (180deg=-0.798) USER MOD Single : A 120 LYS NZ :NH3+ -159:sc= 0.955 (180deg=0.661) USER MOD Single : A 124 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4.3!) USER MOD Single : A 125 LYS NZ :NH3+ -169:sc= 0.501 (180deg=0.454) USER MOD Single : A 131 THR OG1 : rot 180:sc=-0.00237 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 11.235 -17.428 -1.218 1.00 1.51 N ATOM 2 CA SER A 1 12.519 -17.095 -1.958 1.00 21.31 C ATOM 3 C SER A 1 13.218 -15.823 -1.506 1.00 74.23 C ATOM 4 O SER A 1 14.436 -15.793 -1.364 1.00 73.00 O ATOM 5 CB SER A 1 12.260 -16.975 -3.490 1.00 55.21 C ATOM 6 OG SER A 1 11.853 -18.216 -4.066 1.00 52.43 O ATOM 0 H1 SER A 1 10.835 -18.310 -1.597 1.00 1.51 H new ATOM 0 H2 SER A 1 11.439 -17.548 -0.205 1.00 1.51 H new ATOM 0 H3 SER A 1 10.551 -16.655 -1.344 1.00 1.51 H new ATOM 0 HA SER A 1 13.181 -17.928 -1.720 1.00 21.31 H new ATOM 0 HB2 SER A 1 11.491 -16.224 -3.669 1.00 55.21 H new ATOM 0 HB3 SER A 1 13.167 -16.627 -3.984 1.00 55.21 H new ATOM 0 HG SER A 1 11.700 -18.096 -5.026 1.00 52.43 H new ATOM 14 N LYS A 2 12.462 -14.726 -1.265 1.00 44.10 N ATOM 15 CA LYS A 2 12.988 -13.425 -0.878 1.00 0.45 C ATOM 16 C LYS A 2 13.635 -13.457 0.491 1.00 41.24 C ATOM 17 O LYS A 2 14.745 -12.973 0.699 1.00 34.21 O ATOM 18 CB LYS A 2 11.861 -12.361 -0.850 1.00 31.22 C ATOM 19 CG LYS A 2 11.264 -12.026 -2.227 1.00 63.13 C ATOM 20 CD LYS A 2 12.263 -11.308 -3.146 1.00 64.51 C ATOM 21 CE LYS A 2 11.602 -10.718 -4.391 1.00 72.35 C ATOM 22 NZ LYS A 2 12.611 -10.020 -5.210 1.00 74.50 N ATOM 0 H LYS A 2 11.445 -14.737 -1.340 1.00 44.10 H new ATOM 0 HA LYS A 2 13.739 -13.165 -1.624 1.00 0.45 H new ATOM 0 HB2 LYS A 2 11.062 -12.714 -0.198 1.00 31.22 H new ATOM 0 HB3 LYS A 2 12.254 -11.446 -0.406 1.00 31.22 H new ATOM 0 HG2 LYS A 2 10.930 -12.946 -2.708 1.00 63.13 H new ATOM 0 HG3 LYS A 2 10.383 -11.398 -2.094 1.00 63.13 H new ATOM 0 HD2 LYS A 2 12.755 -10.511 -2.589 1.00 64.51 H new ATOM 0 HD3 LYS A 2 13.039 -12.010 -3.450 1.00 64.51 H new ATOM 0 HE2 LYS A 2 11.132 -11.510 -4.974 1.00 72.35 H new ATOM 0 HE3 LYS A 2 10.813 -10.024 -4.101 1.00 72.35 H new ATOM 0 HZ1 LYS A 2 12.156 -9.621 -6.056 1.00 74.50 H new ATOM 0 HZ2 LYS A 2 13.040 -9.254 -4.653 1.00 74.50 H new ATOM 0 HZ3 LYS A 2 13.349 -10.693 -5.499 1.00 74.50 H new ATOM 36 N GLU A 3 12.939 -14.105 1.450 1.00 15.51 N ATOM 37 CA GLU A 3 13.294 -14.163 2.859 1.00 52.24 C ATOM 38 C GLU A 3 14.393 -15.129 3.197 1.00 74.14 C ATOM 39 O GLU A 3 14.838 -15.250 4.336 1.00 11.24 O ATOM 40 CB GLU A 3 12.044 -14.433 3.745 1.00 13.20 C ATOM 41 CG GLU A 3 11.406 -15.835 3.563 1.00 1.44 C ATOM 42 CD GLU A 3 10.134 -16.008 4.398 1.00 3.15 C ATOM 43 OE1 GLU A 3 9.053 -16.179 3.775 1.00 40.34 O ATOM 44 OE2 GLU A 3 10.236 -15.982 5.650 1.00 34.12 O ATOM 0 H GLU A 3 12.083 -14.618 1.241 1.00 15.51 H new ATOM 0 HA GLU A 3 13.696 -13.174 3.081 1.00 52.24 H new ATOM 0 HB2 GLU A 3 12.325 -14.310 4.791 1.00 13.20 H new ATOM 0 HB3 GLU A 3 11.291 -13.676 3.526 1.00 13.20 H new ATOM 0 HG2 GLU A 3 11.171 -15.991 2.510 1.00 1.44 H new ATOM 0 HG3 GLU A 3 12.129 -16.600 3.844 1.00 1.44 H new ATOM 51 N VAL A 4 14.847 -15.833 2.159 1.00 51.10 N ATOM 52 CA VAL A 4 16.077 -16.624 2.175 1.00 35.24 C ATOM 53 C VAL A 4 17.276 -15.707 2.241 1.00 74.32 C ATOM 54 O VAL A 4 18.217 -15.919 3.003 1.00 1.41 O ATOM 55 CB VAL A 4 16.297 -17.471 0.923 1.00 35.30 C ATOM 56 CG1 VAL A 4 17.649 -18.229 0.943 1.00 63.21 C ATOM 57 CG2 VAL A 4 15.160 -18.469 0.710 1.00 33.04 C ATOM 0 H VAL A 4 14.358 -15.869 1.264 1.00 51.10 H new ATOM 0 HA VAL A 4 15.971 -17.277 3.041 1.00 35.24 H new ATOM 0 HB VAL A 4 16.316 -16.766 0.092 1.00 35.30 H new ATOM 0 HG11 VAL A 4 17.752 -18.814 0.029 1.00 63.21 H new ATOM 0 HG12 VAL A 4 18.467 -17.512 1.008 1.00 63.21 H new ATOM 0 HG13 VAL A 4 17.680 -18.895 1.806 1.00 63.21 H new ATOM 0 HG21 VAL A 4 15.352 -19.053 -0.190 1.00 33.04 H new ATOM 0 HG22 VAL A 4 15.096 -19.137 1.569 1.00 33.04 H new ATOM 0 HG23 VAL A 4 14.219 -17.930 0.599 1.00 33.04 H new ATOM 67 N MET A 5 17.261 -14.688 1.347 1.00 42.31 N ATOM 68 CA MET A 5 18.471 -14.099 0.824 1.00 3.42 C ATOM 69 C MET A 5 19.175 -13.242 1.863 1.00 73.03 C ATOM 70 O MET A 5 20.392 -13.285 2.030 1.00 33.44 O ATOM 71 CB MET A 5 18.172 -13.247 -0.436 1.00 4.24 C ATOM 72 CG MET A 5 17.644 -14.074 -1.629 1.00 52.14 C ATOM 73 SD MET A 5 18.786 -15.361 -2.222 1.00 70.11 S ATOM 74 CE MET A 5 17.584 -16.113 -3.356 1.00 22.43 C ATOM 0 H MET A 5 16.405 -14.269 0.984 1.00 42.31 H new ATOM 0 HA MET A 5 19.133 -14.921 0.552 1.00 3.42 H new ATOM 0 HB2 MET A 5 17.438 -12.482 -0.182 1.00 4.24 H new ATOM 0 HB3 MET A 5 19.082 -12.728 -0.738 1.00 4.24 H new ATOM 0 HG2 MET A 5 16.705 -14.545 -1.340 1.00 52.14 H new ATOM 0 HG3 MET A 5 17.421 -13.397 -2.453 1.00 52.14 H new ATOM 0 HE1 MET A 5 18.045 -16.958 -3.867 1.00 22.43 H new ATOM 0 HE2 MET A 5 16.718 -16.459 -2.791 1.00 22.43 H new ATOM 0 HE3 MET A 5 17.266 -15.374 -4.091 1.00 22.43 H new ATOM 84 N LYS A 6 18.366 -12.457 2.601 1.00 43.42 N ATOM 85 CA LYS A 6 18.735 -11.757 3.804 1.00 34.41 C ATOM 86 C LYS A 6 17.630 -12.107 4.774 1.00 52.32 C ATOM 87 O LYS A 6 16.472 -12.196 4.368 1.00 24.41 O ATOM 88 CB LYS A 6 18.811 -10.221 3.601 1.00 24.24 C ATOM 89 CG LYS A 6 19.218 -9.423 4.856 1.00 64.02 C ATOM 90 CD LYS A 6 20.646 -9.730 5.346 1.00 72.25 C ATOM 91 CE LYS A 6 20.987 -9.122 6.708 1.00 74.04 C ATOM 92 NZ LYS A 6 20.245 -9.831 7.771 1.00 50.55 N ATOM 0 H LYS A 6 17.392 -12.299 2.344 1.00 43.42 H new ATOM 0 HA LYS A 6 19.728 -12.045 4.148 1.00 34.41 H new ATOM 0 HB2 LYS A 6 19.525 -10.009 2.805 1.00 24.24 H new ATOM 0 HB3 LYS A 6 17.839 -9.865 3.261 1.00 24.24 H new ATOM 0 HG2 LYS A 6 19.138 -8.358 4.641 1.00 64.02 H new ATOM 0 HG3 LYS A 6 18.513 -9.640 5.659 1.00 64.02 H new ATOM 0 HD2 LYS A 6 20.774 -10.811 5.401 1.00 72.25 H new ATOM 0 HD3 LYS A 6 21.358 -9.362 4.608 1.00 72.25 H new ATOM 0 HE2 LYS A 6 22.059 -9.193 6.890 1.00 74.04 H new ATOM 0 HE3 LYS A 6 20.732 -8.062 6.718 1.00 74.04 H new ATOM 0 HZ1 LYS A 6 20.647 -9.585 8.698 1.00 50.55 H new ATOM 0 HZ2 LYS A 6 19.244 -9.550 7.742 1.00 50.55 H new ATOM 0 HZ3 LYS A 6 20.321 -10.857 7.622 1.00 50.55 H new ATOM 106 N GLN A 7 17.958 -12.370 6.060 1.00 12.13 N ATOM 107 CA GLN A 7 17.016 -12.844 7.054 1.00 30.41 C ATOM 108 C GLN A 7 15.948 -11.803 7.377 1.00 33.00 C ATOM 109 O GLN A 7 16.244 -10.628 7.596 1.00 43.52 O ATOM 110 CB GLN A 7 17.737 -13.234 8.375 1.00 64.40 C ATOM 111 CG GLN A 7 18.754 -14.398 8.243 1.00 45.01 C ATOM 112 CD GLN A 7 20.119 -13.938 7.705 1.00 43.11 C ATOM 113 OE1 GLN A 7 20.359 -12.752 7.450 1.00 11.50 O ATOM 114 NE2 GLN A 7 21.044 -14.915 7.520 1.00 74.24 N ATOM 0 H GLN A 7 18.903 -12.251 6.424 1.00 12.13 H new ATOM 0 HA GLN A 7 16.537 -13.722 6.620 1.00 30.41 H new ATOM 0 HB2 GLN A 7 18.258 -12.357 8.760 1.00 64.40 H new ATOM 0 HB3 GLN A 7 16.985 -13.509 9.115 1.00 64.40 H new ATOM 0 HG2 GLN A 7 18.892 -14.866 9.218 1.00 45.01 H new ATOM 0 HG3 GLN A 7 18.344 -15.159 7.579 1.00 45.01 H new ATOM 0 HE21 GLN A 7 20.814 -15.884 7.740 1.00 74.24 H new ATOM 0 HE22 GLN A 7 21.969 -14.680 7.161 1.00 74.24 H new ATOM 123 N MET A 8 14.666 -12.229 7.411 1.00 25.34 N ATOM 124 CA MET A 8 13.535 -11.351 7.630 1.00 33.33 C ATOM 125 C MET A 8 12.609 -11.988 8.643 1.00 65.11 C ATOM 126 O MET A 8 12.523 -13.210 8.741 1.00 51.43 O ATOM 127 CB MET A 8 12.727 -11.087 6.330 1.00 63.35 C ATOM 128 CG MET A 8 13.530 -10.345 5.244 1.00 61.04 C ATOM 129 SD MET A 8 12.597 -10.054 3.711 1.00 12.40 S ATOM 130 CE MET A 8 14.038 -9.417 2.808 1.00 22.31 C ATOM 0 H MET A 8 14.403 -13.206 7.284 1.00 25.34 H new ATOM 0 HA MET A 8 13.926 -10.397 7.985 1.00 33.33 H new ATOM 0 HB2 MET A 8 12.381 -12.039 5.927 1.00 63.35 H new ATOM 0 HB3 MET A 8 11.840 -10.504 6.576 1.00 63.35 H new ATOM 0 HG2 MET A 8 13.863 -9.387 5.643 1.00 61.04 H new ATOM 0 HG3 MET A 8 14.425 -10.921 5.010 1.00 61.04 H new ATOM 0 HE1 MET A 8 13.742 -9.149 1.794 1.00 22.31 H new ATOM 0 HE2 MET A 8 14.426 -8.535 3.318 1.00 22.31 H new ATOM 0 HE3 MET A 8 14.812 -10.184 2.770 1.00 22.31 H new ATOM 140 N THR A 9 11.874 -11.162 9.415 1.00 4.13 N ATOM 141 CA THR A 9 10.740 -11.614 10.201 1.00 52.10 C ATOM 142 C THR A 9 9.751 -10.474 10.127 1.00 50.42 C ATOM 143 O THR A 9 10.150 -9.335 9.884 1.00 71.35 O ATOM 144 CB THR A 9 11.079 -11.996 11.644 1.00 14.34 C ATOM 145 OG1 THR A 9 9.957 -12.573 12.301 1.00 71.42 O ATOM 146 CG2 THR A 9 11.578 -10.798 12.476 1.00 53.13 C ATOM 0 H THR A 9 12.062 -10.163 9.502 1.00 4.13 H new ATOM 0 HA THR A 9 10.343 -12.546 9.799 1.00 52.10 H new ATOM 0 HB THR A 9 11.886 -12.726 11.575 1.00 14.34 H new ATOM 0 HG1 THR A 9 10.202 -12.809 13.220 1.00 71.42 H new ATOM 0 HG21 THR A 9 11.803 -11.128 13.490 1.00 53.13 H new ATOM 0 HG22 THR A 9 12.479 -10.388 12.019 1.00 53.13 H new ATOM 0 HG23 THR A 9 10.805 -10.030 12.507 1.00 53.13 H new ATOM 154 N ILE A 10 8.438 -10.755 10.266 1.00 44.42 N ATOM 155 CA ILE A 10 7.399 -9.754 10.119 1.00 2.50 C ATOM 156 C ILE A 10 6.290 -10.072 11.106 1.00 12.12 C ATOM 157 O ILE A 10 5.995 -11.235 11.378 1.00 31.11 O ATOM 158 CB ILE A 10 6.897 -9.650 8.667 1.00 45.11 C ATOM 159 CG1 ILE A 10 5.946 -8.452 8.416 1.00 24.23 C ATOM 160 CG2 ILE A 10 6.249 -10.977 8.207 1.00 12.53 C ATOM 161 CD1 ILE A 10 6.583 -7.078 8.657 1.00 14.11 C ATOM 0 H ILE A 10 8.085 -11.687 10.483 1.00 44.42 H new ATOM 0 HA ILE A 10 7.802 -8.767 10.346 1.00 2.50 H new ATOM 0 HB ILE A 10 7.782 -9.459 8.061 1.00 45.11 H new ATOM 0 HG12 ILE A 10 5.587 -8.498 7.388 1.00 24.23 H new ATOM 0 HG13 ILE A 10 5.074 -8.554 9.063 1.00 24.23 H new ATOM 0 HG21 ILE A 10 5.903 -10.876 7.178 1.00 12.53 H new ATOM 0 HG22 ILE A 10 6.984 -11.780 8.265 1.00 12.53 H new ATOM 0 HG23 ILE A 10 5.403 -11.212 8.853 1.00 12.53 H new ATOM 0 HD11 ILE A 10 5.849 -6.297 8.458 1.00 14.11 H new ATOM 0 HD12 ILE A 10 6.916 -7.008 9.692 1.00 14.11 H new ATOM 0 HD13 ILE A 10 7.437 -6.951 7.992 1.00 14.11 H new ATOM 173 N ASN A 11 5.673 -9.033 11.712 1.00 31.04 N ATOM 174 CA ASN A 11 4.543 -9.151 12.609 1.00 33.04 C ATOM 175 C ASN A 11 3.218 -9.153 11.846 1.00 51.02 C ATOM 176 O ASN A 11 3.168 -9.058 10.620 1.00 24.12 O ATOM 177 CB ASN A 11 4.596 -8.020 13.687 1.00 61.23 C ATOM 178 CG ASN A 11 4.532 -6.611 13.077 1.00 53.40 C ATOM 179 OD1 ASN A 11 5.341 -6.262 12.213 1.00 3.22 O ATOM 180 ND2 ASN A 11 3.557 -5.784 13.536 1.00 21.13 N ATOM 0 H ASN A 11 5.971 -8.067 11.574 1.00 31.04 H new ATOM 0 HA ASN A 11 4.605 -10.111 13.122 1.00 33.04 H new ATOM 0 HB2 ASN A 11 3.766 -8.148 14.382 1.00 61.23 H new ATOM 0 HB3 ASN A 11 5.514 -8.119 14.266 1.00 61.23 H new ATOM 0 HD21 ASN A 11 3.475 -4.837 13.165 1.00 21.13 H new ATOM 0 HD22 ASN A 11 2.907 -6.110 14.251 1.00 21.13 H new ATOM 187 N PHE A 12 2.075 -9.242 12.563 1.00 3.22 N ATOM 188 CA PHE A 12 0.743 -9.297 11.978 1.00 51.03 C ATOM 189 C PHE A 12 0.204 -7.929 11.555 1.00 63.10 C ATOM 190 O PHE A 12 -0.899 -7.503 11.885 1.00 74.21 O ATOM 191 CB PHE A 12 -0.228 -10.071 12.927 1.00 72.30 C ATOM 192 CG PHE A 12 -0.224 -9.606 14.367 1.00 3.41 C ATOM 193 CD1 PHE A 12 -1.074 -8.584 14.822 1.00 43.04 C ATOM 194 CD2 PHE A 12 0.614 -10.250 15.296 1.00 22.52 C ATOM 195 CE1 PHE A 12 -1.090 -8.213 16.173 1.00 1.52 C ATOM 196 CE2 PHE A 12 0.606 -9.880 16.647 1.00 61.01 C ATOM 197 CZ PHE A 12 -0.249 -8.862 17.086 1.00 4.41 C ATOM 0 H PHE A 12 2.067 -9.277 13.582 1.00 3.22 H new ATOM 0 HA PHE A 12 0.818 -9.854 11.044 1.00 51.03 H new ATOM 0 HB2 PHE A 12 -1.241 -9.982 12.536 1.00 72.30 H new ATOM 0 HB3 PHE A 12 0.032 -11.129 12.902 1.00 72.30 H new ATOM 0 HD1 PHE A 12 -1.723 -8.078 14.122 1.00 43.04 H new ATOM 0 HD2 PHE A 12 1.272 -11.039 14.963 1.00 22.52 H new ATOM 0 HE1 PHE A 12 -1.750 -7.427 16.510 1.00 1.52 H new ATOM 0 HE2 PHE A 12 1.258 -10.379 17.349 1.00 61.01 H new ATOM 0 HZ PHE A 12 -0.260 -8.577 18.128 1.00 4.41 H new ATOM 207 N ALA A 13 1.019 -7.225 10.745 1.00 51.40 N ATOM 208 CA ALA A 13 0.785 -5.917 10.174 1.00 63.11 C ATOM 209 C ALA A 13 -0.095 -5.917 8.948 1.00 74.03 C ATOM 210 O ALA A 13 -0.601 -4.873 8.541 1.00 63.13 O ATOM 211 CB ALA A 13 2.120 -5.303 9.768 1.00 63.44 C ATOM 0 H ALA A 13 1.924 -7.600 10.461 1.00 51.40 H new ATOM 0 HA ALA A 13 0.270 -5.349 10.949 1.00 63.11 H new ATOM 0 HB1 ALA A 13 1.951 -4.316 9.337 1.00 63.44 H new ATOM 0 HB2 ALA A 13 2.760 -5.210 10.646 1.00 63.44 H new ATOM 0 HB3 ALA A 13 2.606 -5.943 9.031 1.00 63.44 H new ATOM 217 N LYS A 14 -0.304 -7.091 8.320 1.00 63.34 N ATOM 218 CA LYS A 14 -1.046 -7.228 7.083 1.00 3.45 C ATOM 219 C LYS A 14 -2.486 -6.713 7.170 1.00 15.41 C ATOM 220 O LYS A 14 -2.853 -5.958 6.267 1.00 40.02 O ATOM 221 CB LYS A 14 -1.054 -8.699 6.573 1.00 52.34 C ATOM 222 CG LYS A 14 0.285 -9.208 5.991 1.00 21.41 C ATOM 223 CD LYS A 14 1.410 -9.545 6.995 1.00 74.40 C ATOM 224 CE LYS A 14 1.043 -10.647 7.990 1.00 34.40 C ATOM 225 NZ LYS A 14 2.238 -11.046 8.758 1.00 2.23 N ATOM 0 H LYS A 14 0.051 -7.978 8.677 1.00 63.34 H new ATOM 0 HA LYS A 14 -0.515 -6.598 6.369 1.00 3.45 H new ATOM 0 HB2 LYS A 14 -1.342 -9.350 7.398 1.00 52.34 H new ATOM 0 HB3 LYS A 14 -1.823 -8.796 5.807 1.00 52.34 H new ATOM 0 HG2 LYS A 14 0.079 -10.102 5.402 1.00 21.41 H new ATOM 0 HG3 LYS A 14 0.663 -8.452 5.302 1.00 21.41 H new ATOM 0 HD2 LYS A 14 2.298 -9.850 6.442 1.00 74.40 H new ATOM 0 HD3 LYS A 14 1.673 -8.643 7.548 1.00 74.40 H new ATOM 0 HE2 LYS A 14 0.266 -10.294 8.667 1.00 34.40 H new ATOM 0 HE3 LYS A 14 0.636 -11.508 7.459 1.00 34.40 H new ATOM 0 HZ1 LYS A 14 2.022 -11.893 9.321 1.00 2.23 H new ATOM 0 HZ2 LYS A 14 3.018 -11.255 8.103 1.00 2.23 H new ATOM 0 HZ3 LYS A 14 2.518 -10.271 9.393 1.00 2.23 H new ATOM 239 N PRO A 15 -3.340 -6.975 8.172 1.00 50.14 N ATOM 240 CA PRO A 15 -4.612 -6.277 8.292 1.00 2.32 C ATOM 241 C PRO A 15 -4.491 -4.806 8.643 1.00 71.31 C ATOM 242 O PRO A 15 -5.406 -4.048 8.327 1.00 51.05 O ATOM 243 CB PRO A 15 -5.349 -7.046 9.391 1.00 73.40 C ATOM 244 CG PRO A 15 -4.270 -7.690 10.257 1.00 53.13 C ATOM 245 CD PRO A 15 -3.115 -7.911 9.282 1.00 72.34 C ATOM 0 HA PRO A 15 -5.133 -6.263 7.335 1.00 2.32 H new ATOM 0 HB2 PRO A 15 -5.974 -6.377 9.982 1.00 73.40 H new ATOM 0 HB3 PRO A 15 -6.007 -7.802 8.963 1.00 73.40 H new ATOM 0 HG2 PRO A 15 -3.979 -7.042 11.084 1.00 53.13 H new ATOM 0 HG3 PRO A 15 -4.612 -8.628 10.693 1.00 53.13 H new ATOM 0 HD2 PRO A 15 -2.156 -7.722 9.764 1.00 72.34 H new ATOM 0 HD3 PRO A 15 -3.096 -8.941 8.926 1.00 72.34 H new ATOM 253 N MET A 16 -3.400 -4.366 9.305 1.00 13.25 N ATOM 254 CA MET A 16 -3.253 -2.995 9.750 1.00 71.35 C ATOM 255 C MET A 16 -2.918 -2.070 8.586 1.00 3.12 C ATOM 256 O MET A 16 -3.484 -0.985 8.449 1.00 40.02 O ATOM 257 CB MET A 16 -2.165 -2.917 10.847 1.00 2.23 C ATOM 258 CG MET A 16 -2.546 -3.683 12.127 1.00 11.31 C ATOM 259 SD MET A 16 -1.231 -3.755 13.370 1.00 14.14 S ATOM 260 CE MET A 16 -2.175 -4.830 14.487 1.00 15.23 C ATOM 0 H MET A 16 -2.606 -4.963 9.538 1.00 13.25 H new ATOM 0 HA MET A 16 -4.203 -2.661 10.168 1.00 71.35 H new ATOM 0 HB2 MET A 16 -1.231 -3.319 10.454 1.00 2.23 H new ATOM 0 HB3 MET A 16 -1.982 -1.872 11.096 1.00 2.23 H new ATOM 0 HG2 MET A 16 -3.424 -3.213 12.570 1.00 11.31 H new ATOM 0 HG3 MET A 16 -2.831 -4.700 11.857 1.00 11.31 H new ATOM 0 HE1 MET A 16 -1.580 -5.045 15.375 1.00 15.23 H new ATOM 0 HE2 MET A 16 -3.097 -4.329 14.781 1.00 15.23 H new ATOM 0 HE3 MET A 16 -2.416 -5.763 13.977 1.00 15.23 H new ATOM 270 N GLU A 17 -2.006 -2.509 7.682 1.00 11.42 N ATOM 271 CA GLU A 17 -1.648 -1.776 6.481 1.00 72.05 C ATOM 272 C GLU A 17 -2.751 -1.826 5.444 1.00 24.43 C ATOM 273 O GLU A 17 -2.964 -0.873 4.694 1.00 45.20 O ATOM 274 CB GLU A 17 -0.305 -2.264 5.861 1.00 35.33 C ATOM 275 CG GLU A 17 -0.283 -3.711 5.307 1.00 44.10 C ATOM 276 CD GLU A 17 1.097 -4.106 4.777 1.00 24.12 C ATOM 277 OE1 GLU A 17 1.199 -4.376 3.552 1.00 23.23 O ATOM 278 OE2 GLU A 17 2.051 -4.158 5.597 1.00 71.21 O ATOM 0 H GLU A 17 -1.505 -3.391 7.784 1.00 11.42 H new ATOM 0 HA GLU A 17 -1.511 -0.740 6.792 1.00 72.05 H new ATOM 0 HB2 GLU A 17 -0.037 -1.585 5.052 1.00 35.33 H new ATOM 0 HB3 GLU A 17 0.472 -2.178 6.620 1.00 35.33 H new ATOM 0 HG2 GLU A 17 -0.580 -4.404 6.094 1.00 44.10 H new ATOM 0 HG3 GLU A 17 -1.018 -3.803 4.507 1.00 44.10 H new ATOM 285 N ALA A 18 -3.514 -2.944 5.401 1.00 11.51 N ATOM 286 CA ALA A 18 -4.723 -3.053 4.619 1.00 72.31 C ATOM 287 C ALA A 18 -5.793 -2.100 5.073 1.00 44.45 C ATOM 288 O ALA A 18 -6.408 -1.451 4.235 1.00 12.43 O ATOM 289 CB ALA A 18 -5.356 -4.446 4.662 1.00 53.51 C ATOM 0 H ALA A 18 -3.287 -3.792 5.921 1.00 11.51 H new ATOM 0 HA ALA A 18 -4.389 -2.820 3.608 1.00 72.31 H new ATOM 0 HB1 ALA A 18 -6.260 -4.454 4.053 1.00 53.51 H new ATOM 0 HB2 ALA A 18 -4.649 -5.179 4.273 1.00 53.51 H new ATOM 0 HB3 ALA A 18 -5.610 -4.698 5.691 1.00 53.51 H new ATOM 295 N CYS A 19 -6.023 -1.954 6.403 1.00 21.23 N ATOM 296 CA CYS A 19 -7.035 -1.044 6.908 1.00 52.11 C ATOM 297 C CYS A 19 -6.672 0.368 6.465 1.00 43.44 C ATOM 298 O CYS A 19 -7.487 1.046 5.859 1.00 1.23 O ATOM 299 CB CYS A 19 -7.150 -1.082 8.451 1.00 2.20 C ATOM 300 SG CYS A 19 -8.671 -0.358 8.927 1.00 41.50 S ATOM 0 H CYS A 19 -5.514 -2.461 7.127 1.00 21.23 H new ATOM 0 HA CYS A 19 -8.000 -1.353 6.506 1.00 52.11 H new ATOM 0 HB2 CYS A 19 -7.095 -2.111 8.807 1.00 2.20 H new ATOM 0 HB3 CYS A 19 -6.318 -0.543 8.904 1.00 2.20 H new ATOM 305 N LYS A 20 -5.399 0.803 6.603 1.00 5.33 N ATOM 306 CA LYS A 20 -5.019 2.189 6.357 1.00 3.35 C ATOM 307 C LYS A 20 -5.336 2.640 4.931 1.00 65.23 C ATOM 308 O LYS A 20 -5.895 3.715 4.707 1.00 11.41 O ATOM 309 CB LYS A 20 -3.511 2.364 6.690 1.00 62.01 C ATOM 310 CG LYS A 20 -2.949 3.799 6.594 1.00 54.22 C ATOM 311 CD LYS A 20 -2.412 4.246 5.220 1.00 42.32 C ATOM 312 CE LYS A 20 -1.055 3.643 4.859 1.00 60.55 C ATOM 313 NZ LYS A 20 -0.630 4.134 3.533 1.00 14.23 N ATOM 0 H LYS A 20 -4.624 0.202 6.885 1.00 5.33 H new ATOM 0 HA LYS A 20 -5.613 2.831 7.007 1.00 3.35 H new ATOM 0 HB2 LYS A 20 -3.340 1.997 7.702 1.00 62.01 H new ATOM 0 HB3 LYS A 20 -2.936 1.726 6.018 1.00 62.01 H new ATOM 0 HG2 LYS A 20 -3.735 4.492 6.893 1.00 54.22 H new ATOM 0 HG3 LYS A 20 -2.143 3.897 7.322 1.00 54.22 H new ATOM 0 HD2 LYS A 20 -3.136 3.973 4.452 1.00 42.32 H new ATOM 0 HD3 LYS A 20 -2.330 5.333 5.209 1.00 42.32 H new ATOM 0 HE2 LYS A 20 -0.314 3.913 5.612 1.00 60.55 H new ATOM 0 HE3 LYS A 20 -1.120 2.555 4.851 1.00 60.55 H new ATOM 0 HZ1 LYS A 20 0.294 3.722 3.290 1.00 14.23 H new ATOM 0 HZ2 LYS A 20 -1.332 3.855 2.818 1.00 14.23 H new ATOM 0 HZ3 LYS A 20 -0.552 5.171 3.556 1.00 14.23 H new ATOM 327 N GLN A 21 -5.042 1.786 3.927 1.00 61.13 N ATOM 328 CA GLN A 21 -5.383 2.073 2.546 1.00 14.22 C ATOM 329 C GLN A 21 -6.847 1.869 2.208 1.00 31.24 C ATOM 330 O GLN A 21 -7.435 2.666 1.481 1.00 42.33 O ATOM 331 CB GLN A 21 -4.544 1.233 1.573 1.00 21.41 C ATOM 332 CG GLN A 21 -4.808 -0.279 1.658 1.00 33.15 C ATOM 333 CD GLN A 21 -3.714 -1.117 1.021 1.00 10.02 C ATOM 334 OE1 GLN A 21 -3.684 -1.393 -0.179 1.00 20.01 O ATOM 335 NE2 GLN A 21 -2.820 -1.612 1.913 1.00 53.10 N ATOM 0 H GLN A 21 -4.568 0.893 4.064 1.00 61.13 H new ATOM 0 HA GLN A 21 -5.161 3.134 2.432 1.00 14.22 H new ATOM 0 HB2 GLN A 21 -4.743 1.569 0.555 1.00 21.41 H new ATOM 0 HB3 GLN A 21 -3.488 1.418 1.768 1.00 21.41 H new ATOM 0 HG2 GLN A 21 -4.911 -0.564 2.705 1.00 33.15 H new ATOM 0 HG3 GLN A 21 -5.757 -0.503 1.171 1.00 33.15 H new ATOM 0 HE21 GLN A 21 -2.886 -1.354 2.898 1.00 53.10 H new ATOM 0 HE22 GLN A 21 -2.082 -2.242 1.599 1.00 53.10 H new ATOM 344 N GLU A 22 -7.475 0.808 2.773 1.00 11.12 N ATOM 345 CA GLU A 22 -8.877 0.439 2.588 1.00 75.12 C ATOM 346 C GLU A 22 -9.778 1.546 3.038 1.00 14.11 C ATOM 347 O GLU A 22 -10.798 1.847 2.422 1.00 5.14 O ATOM 348 CB GLU A 22 -9.253 -0.861 3.352 1.00 23.52 C ATOM 349 CG GLU A 22 -10.706 -1.329 3.074 1.00 63.51 C ATOM 350 CD GLU A 22 -11.054 -2.666 3.723 1.00 13.24 C ATOM 351 OE1 GLU A 22 -10.471 -3.697 3.292 1.00 30.44 O ATOM 352 OE2 GLU A 22 -11.924 -2.671 4.631 1.00 63.34 O ATOM 0 H GLU A 22 -6.985 0.166 3.396 1.00 11.12 H new ATOM 0 HA GLU A 22 -9.011 0.258 1.521 1.00 75.12 H new ATOM 0 HB2 GLU A 22 -8.561 -1.655 3.070 1.00 23.52 H new ATOM 0 HB3 GLU A 22 -9.129 -0.696 4.422 1.00 23.52 H new ATOM 0 HG2 GLU A 22 -11.399 -0.569 3.435 1.00 63.51 H new ATOM 0 HG3 GLU A 22 -10.853 -1.409 1.997 1.00 63.51 H new ATOM 359 N LEU A 23 -9.387 2.184 4.148 1.00 12.14 N ATOM 360 CA LEU A 23 -10.197 3.228 4.742 1.00 3.13 C ATOM 361 C LEU A 23 -9.913 4.560 4.064 1.00 64.05 C ATOM 362 O LEU A 23 -10.644 5.527 4.265 1.00 55.34 O ATOM 363 CB LEU A 23 -9.914 3.406 6.245 1.00 43.44 C ATOM 364 CG LEU A 23 -10.109 2.140 7.105 1.00 43.24 C ATOM 365 CD1 LEU A 23 -10.208 2.371 8.614 1.00 50.12 C ATOM 366 CD2 LEU A 23 -10.897 0.932 6.582 1.00 55.30 C ATOM 0 H LEU A 23 -8.517 1.989 4.643 1.00 12.14 H new ATOM 0 HA LEU A 23 -11.236 2.926 4.607 1.00 3.13 H new ATOM 0 HB2 LEU A 23 -8.888 3.754 6.366 1.00 43.44 H new ATOM 0 HB3 LEU A 23 -10.564 4.191 6.630 1.00 43.44 H new ATOM 0 HG LEU A 23 -9.116 1.735 6.911 1.00 43.24 H new ATOM 0 HD11 LEU A 23 -10.344 1.415 9.120 1.00 50.12 H new ATOM 0 HD12 LEU A 23 -9.293 2.844 8.971 1.00 50.12 H new ATOM 0 HD13 LEU A 23 -11.058 3.019 8.828 1.00 50.12 H new ATOM 0 HD21 LEU A 23 -10.914 0.152 7.343 1.00 55.30 H new ATOM 0 HD22 LEU A 23 -11.918 1.236 6.351 1.00 55.30 H new ATOM 0 HD23 LEU A 23 -10.420 0.549 5.680 1.00 55.30 H new ATOM 378 N ASN A 24 -8.829 4.614 3.246 1.00 44.24 N ATOM 379 CA ASN A 24 -8.301 5.791 2.574 1.00 33.52 C ATOM 380 C ASN A 24 -7.912 6.908 3.543 1.00 21.20 C ATOM 381 O ASN A 24 -8.245 8.078 3.368 1.00 43.32 O ATOM 382 CB ASN A 24 -9.314 6.260 1.485 1.00 70.04 C ATOM 383 CG ASN A 24 -8.736 7.226 0.447 1.00 11.32 C ATOM 384 OD1 ASN A 24 -9.278 8.303 0.189 1.00 62.41 O ATOM 385 ND2 ASN A 24 -7.623 6.806 -0.210 1.00 2.15 N ATOM 0 H ASN A 24 -8.281 3.779 3.038 1.00 44.24 H new ATOM 0 HA ASN A 24 -7.367 5.517 2.084 1.00 33.52 H new ATOM 0 HB2 ASN A 24 -9.703 5.383 0.968 1.00 70.04 H new ATOM 0 HB3 ASN A 24 -10.159 6.741 1.977 1.00 70.04 H new ATOM 0 HD21 ASN A 24 -7.212 7.387 -0.940 1.00 2.15 H new ATOM 0 HD22 ASN A 24 -7.199 5.909 0.027 1.00 2.15 H new ATOM 392 N VAL A 25 -7.173 6.537 4.607 1.00 72.40 N ATOM 393 CA VAL A 25 -6.780 7.422 5.690 1.00 23.14 C ATOM 394 C VAL A 25 -5.265 7.480 5.736 1.00 71.03 C ATOM 395 O VAL A 25 -4.607 6.584 5.209 1.00 11.21 O ATOM 396 CB VAL A 25 -7.350 6.989 7.044 1.00 23.13 C ATOM 397 CG1 VAL A 25 -8.887 7.076 6.998 1.00 23.14 C ATOM 398 CG2 VAL A 25 -6.885 5.564 7.409 1.00 11.52 C ATOM 0 H VAL A 25 -6.830 5.584 4.728 1.00 72.40 H new ATOM 0 HA VAL A 25 -7.193 8.412 5.494 1.00 23.14 H new ATOM 0 HB VAL A 25 -6.978 7.658 7.820 1.00 23.13 H new ATOM 0 HG11 VAL A 25 -9.298 6.769 7.960 1.00 23.14 H new ATOM 0 HG12 VAL A 25 -9.187 8.102 6.786 1.00 23.14 H new ATOM 0 HG13 VAL A 25 -9.265 6.419 6.215 1.00 23.14 H new ATOM 0 HG21 VAL A 25 -7.304 5.281 8.375 1.00 11.52 H new ATOM 0 HG22 VAL A 25 -7.226 4.864 6.646 1.00 11.52 H new ATOM 0 HG23 VAL A 25 -5.797 5.539 7.464 1.00 11.52 H new ATOM 408 N PRO A 26 -4.633 8.504 6.298 1.00 42.14 N ATOM 409 CA PRO A 26 -3.184 8.558 6.401 1.00 44.21 C ATOM 410 C PRO A 26 -2.628 7.640 7.473 1.00 43.14 C ATOM 411 O PRO A 26 -3.334 7.169 8.365 1.00 50.32 O ATOM 412 CB PRO A 26 -2.899 10.031 6.734 1.00 33.24 C ATOM 413 CG PRO A 26 -4.144 10.478 7.498 1.00 41.54 C ATOM 414 CD PRO A 26 -5.265 9.737 6.774 1.00 12.53 C ATOM 0 HA PRO A 26 -2.705 8.218 5.483 1.00 44.21 H new ATOM 0 HB2 PRO A 26 -1.998 10.138 7.339 1.00 33.24 H new ATOM 0 HB3 PRO A 26 -2.749 10.624 5.832 1.00 33.24 H new ATOM 0 HG2 PRO A 26 -4.092 10.205 8.552 1.00 41.54 H new ATOM 0 HG3 PRO A 26 -4.279 11.559 7.455 1.00 41.54 H new ATOM 0 HD2 PRO A 26 -6.099 9.524 7.443 1.00 12.53 H new ATOM 0 HD3 PRO A 26 -5.662 10.326 5.947 1.00 12.53 H new ATOM 422 N ASP A 27 -1.298 7.428 7.403 1.00 44.41 N ATOM 423 CA ASP A 27 -0.483 6.622 8.291 1.00 44.33 C ATOM 424 C ASP A 27 -0.488 7.215 9.696 1.00 63.44 C ATOM 425 O ASP A 27 -0.318 6.523 10.694 1.00 71.40 O ATOM 426 CB ASP A 27 0.948 6.521 7.693 1.00 2.21 C ATOM 427 CG ASP A 27 1.833 5.512 8.425 1.00 60.01 C ATOM 428 OD1 ASP A 27 2.876 5.944 8.979 1.00 51.54 O ATOM 429 OD2 ASP A 27 1.479 4.306 8.407 1.00 52.21 O ATOM 0 H ASP A 27 -0.738 7.854 6.664 1.00 44.41 H new ATOM 0 HA ASP A 27 -0.890 5.615 8.378 1.00 44.33 H new ATOM 0 HB2 ASP A 27 0.877 6.239 6.643 1.00 2.21 H new ATOM 0 HB3 ASP A 27 1.420 7.503 7.728 1.00 2.21 H new ATOM 434 N ALA A 28 -0.725 8.537 9.779 1.00 72.31 N ATOM 435 CA ALA A 28 -0.889 9.300 10.987 1.00 50.10 C ATOM 436 C ALA A 28 -2.054 8.858 11.846 1.00 73.12 C ATOM 437 O ALA A 28 -2.023 9.006 13.066 1.00 20.04 O ATOM 438 CB ALA A 28 -1.086 10.778 10.620 1.00 3.53 C ATOM 0 H ALA A 28 -0.808 9.117 8.944 1.00 72.31 H new ATOM 0 HA ALA A 28 0.014 9.139 11.576 1.00 50.10 H new ATOM 0 HB1 ALA A 28 -1.211 11.365 11.530 1.00 3.53 H new ATOM 0 HB2 ALA A 28 -0.214 11.137 10.074 1.00 3.53 H new ATOM 0 HB3 ALA A 28 -1.973 10.883 9.995 1.00 3.53 H new ATOM 444 N VAL A 29 -3.130 8.314 11.245 1.00 0.45 N ATOM 445 CA VAL A 29 -4.278 7.971 12.053 1.00 14.43 C ATOM 446 C VAL A 29 -4.322 6.487 12.340 1.00 52.01 C ATOM 447 O VAL A 29 -4.851 6.077 13.358 1.00 50.33 O ATOM 448 CB VAL A 29 -5.581 8.439 11.454 1.00 74.41 C ATOM 449 CG1 VAL A 29 -5.522 9.930 11.052 1.00 21.23 C ATOM 450 CG2 VAL A 29 -6.209 7.478 10.445 1.00 73.30 C ATOM 0 H VAL A 29 -3.214 8.116 10.248 1.00 0.45 H new ATOM 0 HA VAL A 29 -4.157 8.505 12.996 1.00 14.43 H new ATOM 0 HB VAL A 29 -6.326 8.400 12.248 1.00 74.41 H new ATOM 0 HG11 VAL A 29 -6.479 10.230 10.625 1.00 21.23 H new ATOM 0 HG12 VAL A 29 -5.312 10.536 11.933 1.00 21.23 H new ATOM 0 HG13 VAL A 29 -4.733 10.077 10.314 1.00 21.23 H new ATOM 0 HG21 VAL A 29 -7.141 7.902 10.071 1.00 73.30 H new ATOM 0 HG22 VAL A 29 -5.521 7.323 9.614 1.00 73.30 H new ATOM 0 HG23 VAL A 29 -6.413 6.524 10.930 1.00 73.30 H new ATOM 460 N MET A 30 -3.727 5.600 11.522 1.00 43.45 N ATOM 461 CA MET A 30 -3.630 4.191 11.908 1.00 41.32 C ATOM 462 C MET A 30 -2.709 4.013 13.111 1.00 11.43 C ATOM 463 O MET A 30 -2.899 3.130 13.944 1.00 15.55 O ATOM 464 CB MET A 30 -3.155 3.277 10.746 1.00 1.53 C ATOM 465 CG MET A 30 -1.674 3.433 10.346 1.00 42.13 C ATOM 466 SD MET A 30 -0.495 2.306 11.168 1.00 74.42 S ATOM 467 CE MET A 30 -0.951 0.810 10.243 1.00 42.01 C ATOM 0 H MET A 30 -3.318 5.829 10.616 1.00 43.45 H new ATOM 0 HA MET A 30 -4.641 3.883 12.176 1.00 41.32 H new ATOM 0 HB2 MET A 30 -3.330 2.239 11.028 1.00 1.53 H new ATOM 0 HB3 MET A 30 -3.773 3.479 9.871 1.00 1.53 H new ATOM 0 HG2 MET A 30 -1.593 3.288 9.269 1.00 42.13 H new ATOM 0 HG3 MET A 30 -1.369 4.459 10.553 1.00 42.13 H new ATOM 0 HE1 MET A 30 -0.203 0.036 10.412 1.00 42.01 H new ATOM 0 HE2 MET A 30 -1.924 0.455 10.583 1.00 42.01 H new ATOM 0 HE3 MET A 30 -1.000 1.041 9.179 1.00 42.01 H new ATOM 477 N GLN A 31 -1.696 4.908 13.249 1.00 22.23 N ATOM 478 CA GLN A 31 -0.779 4.918 14.362 1.00 44.01 C ATOM 479 C GLN A 31 -1.394 5.512 15.598 1.00 1.34 C ATOM 480 O GLN A 31 -0.911 5.303 16.711 1.00 64.20 O ATOM 481 CB GLN A 31 0.560 5.600 13.989 1.00 41.22 C ATOM 482 CG GLN A 31 0.618 7.115 13.704 1.00 32.33 C ATOM 483 CD GLN A 31 0.747 7.970 14.959 1.00 53.24 C ATOM 484 OE1 GLN A 31 1.754 7.941 15.670 1.00 1.25 O ATOM 485 NE2 GLN A 31 -0.324 8.756 15.227 1.00 71.13 N ATOM 0 H GLN A 31 -1.512 5.644 12.567 1.00 22.23 H new ATOM 0 HA GLN A 31 -0.553 3.879 14.601 1.00 44.01 H new ATOM 0 HB2 GLN A 31 1.260 5.399 14.800 1.00 41.22 H new ATOM 0 HB3 GLN A 31 0.943 5.092 13.104 1.00 41.22 H new ATOM 0 HG2 GLN A 31 1.463 7.320 13.047 1.00 32.33 H new ATOM 0 HG3 GLN A 31 -0.283 7.409 13.166 1.00 32.33 H new ATOM 0 HE21 GLN A 31 -1.134 8.744 14.607 1.00 71.13 H new ATOM 0 HE22 GLN A 31 -0.320 9.360 16.049 1.00 71.13 H new ATOM 494 N ASP A 32 -2.522 6.250 15.457 1.00 4.33 N ATOM 495 CA ASP A 32 -3.172 6.829 16.615 1.00 52.42 C ATOM 496 C ASP A 32 -3.774 5.742 17.525 1.00 33.01 C ATOM 497 O ASP A 32 -3.812 5.882 18.743 1.00 72.42 O ATOM 498 CB ASP A 32 -4.223 7.908 16.195 1.00 74.03 C ATOM 499 CG ASP A 32 -5.581 7.556 15.593 1.00 14.20 C ATOM 500 OD1 ASP A 32 -6.026 6.397 15.729 1.00 41.31 O ATOM 501 OD2 ASP A 32 -6.212 8.505 15.044 1.00 52.42 O ATOM 0 H ASP A 32 -2.978 6.445 14.566 1.00 4.33 H new ATOM 0 HA ASP A 32 -2.413 7.343 17.205 1.00 52.42 H new ATOM 0 HB2 ASP A 32 -4.424 8.506 17.084 1.00 74.03 H new ATOM 0 HB3 ASP A 32 -3.726 8.561 15.477 1.00 74.03 H new ATOM 506 N PHE A 33 -4.162 4.596 16.923 1.00 14.43 N ATOM 507 CA PHE A 33 -4.499 3.335 17.577 1.00 33.54 C ATOM 508 C PHE A 33 -3.360 2.718 18.376 1.00 42.42 C ATOM 509 O PHE A 33 -3.560 2.216 19.475 1.00 75.40 O ATOM 510 CB PHE A 33 -5.134 2.389 16.519 1.00 43.55 C ATOM 511 CG PHE A 33 -5.237 0.923 16.859 1.00 63.33 C ATOM 512 CD1 PHE A 33 -4.469 0.007 16.117 1.00 70.33 C ATOM 513 CD2 PHE A 33 -6.036 0.443 17.905 1.00 34.33 C ATOM 514 CE1 PHE A 33 -4.543 -1.367 16.376 1.00 51.11 C ATOM 515 CE2 PHE A 33 -6.144 -0.935 18.142 1.00 54.41 C ATOM 516 CZ PHE A 33 -5.396 -1.840 17.380 1.00 1.12 C ATOM 0 H PHE A 33 -4.250 4.534 15.909 1.00 14.43 H new ATOM 0 HA PHE A 33 -5.236 3.529 18.356 1.00 33.54 H new ATOM 0 HB2 PHE A 33 -6.138 2.754 16.303 1.00 43.55 H new ATOM 0 HB3 PHE A 33 -4.557 2.480 15.599 1.00 43.55 H new ATOM 0 HD1 PHE A 33 -3.814 0.368 15.338 1.00 70.33 H new ATOM 0 HD2 PHE A 33 -6.572 1.139 18.533 1.00 34.33 H new ATOM 0 HE1 PHE A 33 -3.944 -2.059 15.803 1.00 51.11 H new ATOM 0 HE2 PHE A 33 -6.806 -1.299 18.914 1.00 54.41 H new ATOM 0 HZ PHE A 33 -5.477 -2.901 17.566 1.00 1.12 H new ATOM 526 N PHE A 34 -2.123 2.744 17.861 1.00 30.12 N ATOM 527 CA PHE A 34 -0.945 2.322 18.620 1.00 70.13 C ATOM 528 C PHE A 34 -0.682 3.203 19.846 1.00 52.41 C ATOM 529 O PHE A 34 -0.401 2.707 20.935 1.00 41.21 O ATOM 530 CB PHE A 34 0.336 2.298 17.741 1.00 23.45 C ATOM 531 CG PHE A 34 0.373 1.100 16.828 1.00 72.45 C ATOM 532 CD1 PHE A 34 1.091 -0.042 17.227 1.00 61.40 C ATOM 533 CD2 PHE A 34 -0.280 1.086 15.582 1.00 64.12 C ATOM 534 CE1 PHE A 34 1.209 -1.147 16.376 1.00 30.25 C ATOM 535 CE2 PHE A 34 -0.168 -0.019 14.728 1.00 42.32 C ATOM 536 CZ PHE A 34 0.590 -1.129 15.122 1.00 4.51 C ATOM 0 H PHE A 34 -1.915 3.057 16.913 1.00 30.12 H new ATOM 0 HA PHE A 34 -1.173 1.311 18.959 1.00 70.13 H new ATOM 0 HB2 PHE A 34 0.384 3.209 17.145 1.00 23.45 H new ATOM 0 HB3 PHE A 34 1.216 2.291 18.384 1.00 23.45 H new ATOM 0 HD1 PHE A 34 1.557 -0.066 18.201 1.00 61.40 H new ATOM 0 HD2 PHE A 34 -0.874 1.936 15.281 1.00 64.12 H new ATOM 0 HE1 PHE A 34 1.777 -2.011 16.687 1.00 30.25 H new ATOM 0 HE2 PHE A 34 -0.665 -0.015 13.769 1.00 42.32 H new ATOM 0 HZ PHE A 34 0.697 -1.973 14.456 1.00 4.51 H new ATOM 546 N ASN A 35 -0.811 4.540 19.689 1.00 71.14 N ATOM 547 CA ASN A 35 -0.706 5.549 20.732 1.00 1.30 C ATOM 548 C ASN A 35 -1.802 5.474 21.782 1.00 24.21 C ATOM 549 O ASN A 35 -1.579 5.809 22.940 1.00 31.11 O ATOM 550 CB ASN A 35 -0.692 6.960 20.104 1.00 4.03 C ATOM 551 CG ASN A 35 0.670 7.263 19.478 1.00 13.44 C ATOM 552 OD1 ASN A 35 1.560 7.781 20.155 1.00 25.53 O ATOM 553 ND2 ASN A 35 0.841 6.939 18.175 1.00 3.32 N ATOM 0 H ASN A 35 -1.001 4.952 18.775 1.00 71.14 H new ATOM 0 HA ASN A 35 0.232 5.345 21.249 1.00 1.30 H new ATOM 0 HB2 ASN A 35 -1.470 7.033 19.344 1.00 4.03 H new ATOM 0 HB3 ASN A 35 -0.920 7.705 20.867 1.00 4.03 H new ATOM 0 HD21 ASN A 35 1.734 7.122 17.717 1.00 3.32 H new ATOM 0 HD22 ASN A 35 0.077 6.511 17.651 1.00 3.32 H new ATOM 560 N PHE A 36 -3.002 4.996 21.403 1.00 53.41 N ATOM 561 CA PHE A 36 -4.194 4.840 22.222 1.00 4.13 C ATOM 562 C PHE A 36 -3.948 3.993 23.458 1.00 21.35 C ATOM 563 O PHE A 36 -4.455 4.288 24.537 1.00 72.44 O ATOM 564 CB PHE A 36 -5.305 4.233 21.318 1.00 52.43 C ATOM 565 CG PHE A 36 -6.624 4.034 21.990 1.00 41.14 C ATOM 566 CD1 PHE A 36 -6.959 2.799 22.571 1.00 25.34 C ATOM 567 CD2 PHE A 36 -7.535 5.092 22.051 1.00 14.12 C ATOM 568 CE1 PHE A 36 -8.195 2.630 23.201 1.00 22.52 C ATOM 569 CE2 PHE A 36 -8.760 4.939 22.703 1.00 0.32 C ATOM 570 CZ PHE A 36 -9.089 3.702 23.262 1.00 33.14 C ATOM 0 H PHE A 36 -3.164 4.689 20.444 1.00 53.41 H new ATOM 0 HA PHE A 36 -4.503 5.813 22.604 1.00 4.13 H new ATOM 0 HB2 PHE A 36 -5.448 4.884 20.456 1.00 52.43 H new ATOM 0 HB3 PHE A 36 -4.959 3.272 20.938 1.00 52.43 H new ATOM 0 HD1 PHE A 36 -6.259 1.978 22.531 1.00 25.34 H new ATOM 0 HD2 PHE A 36 -7.289 6.037 21.589 1.00 14.12 H new ATOM 0 HE1 PHE A 36 -8.457 1.678 23.638 1.00 22.52 H new ATOM 0 HE2 PHE A 36 -9.447 5.769 22.774 1.00 0.32 H new ATOM 0 HZ PHE A 36 -10.045 3.573 23.747 1.00 33.14 H new ATOM 580 N TRP A 37 -3.166 2.904 23.321 1.00 60.22 N ATOM 581 CA TRP A 37 -2.918 1.974 24.402 1.00 32.31 C ATOM 582 C TRP A 37 -1.882 2.484 25.390 1.00 72.41 C ATOM 583 O TRP A 37 -1.698 1.899 26.457 1.00 23.35 O ATOM 584 CB TRP A 37 -2.463 0.612 23.846 1.00 30.21 C ATOM 585 CG TRP A 37 -3.483 0.013 22.899 1.00 34.43 C ATOM 586 CD1 TRP A 37 -3.332 -0.134 21.553 1.00 32.04 C ATOM 587 CD2 TRP A 37 -4.856 -0.315 23.195 1.00 14.14 C ATOM 588 NE1 TRP A 37 -4.495 -0.607 20.987 1.00 42.31 N ATOM 589 CE2 TRP A 37 -5.453 -0.702 21.975 1.00 14.00 C ATOM 590 CE3 TRP A 37 -5.594 -0.285 24.378 1.00 12.51 C ATOM 591 CZ2 TRP A 37 -6.793 -1.060 21.921 1.00 54.50 C ATOM 592 CZ3 TRP A 37 -6.954 -0.623 24.314 1.00 63.31 C ATOM 593 CH2 TRP A 37 -7.549 -0.996 23.100 1.00 64.43 C ATOM 0 H TRP A 37 -2.695 2.658 22.450 1.00 60.22 H new ATOM 0 HA TRP A 37 -3.861 1.864 24.938 1.00 32.31 H new ATOM 0 HB2 TRP A 37 -1.513 0.733 23.326 1.00 30.21 H new ATOM 0 HB3 TRP A 37 -2.288 -0.077 24.673 1.00 30.21 H new ATOM 0 HD1 TRP A 37 -2.427 0.089 21.007 1.00 32.04 H new ATOM 0 HE1 TRP A 37 -4.626 -0.846 20.004 1.00 42.31 H new ATOM 0 HE3 TRP A 37 -5.133 -0.010 25.315 1.00 12.51 H new ATOM 0 HZ2 TRP A 37 -7.243 -1.380 20.993 1.00 54.50 H new ATOM 0 HZ3 TRP A 37 -7.552 -0.596 25.213 1.00 63.31 H new ATOM 0 HH2 TRP A 37 -8.601 -1.237 23.073 1.00 64.43 H new ATOM 604 N LYS A 38 -1.189 3.609 25.082 1.00 13.04 N ATOM 605 CA LYS A 38 -0.410 4.333 26.085 1.00 15.10 C ATOM 606 C LYS A 38 -1.337 4.882 27.172 1.00 53.44 C ATOM 607 O LYS A 38 -2.367 5.489 26.879 1.00 31.03 O ATOM 608 CB LYS A 38 0.392 5.507 25.461 1.00 43.31 C ATOM 609 CG LYS A 38 1.296 6.303 26.429 1.00 61.35 C ATOM 610 CD LYS A 38 2.451 5.499 27.060 1.00 53.11 C ATOM 611 CE LYS A 38 3.508 5.036 26.055 1.00 4.21 C ATOM 612 NZ LYS A 38 4.599 4.340 26.764 1.00 64.11 N ATOM 0 H LYS A 38 -1.161 4.022 24.150 1.00 13.04 H new ATOM 0 HA LYS A 38 0.299 3.626 26.516 1.00 15.10 H new ATOM 0 HB2 LYS A 38 1.014 5.110 24.659 1.00 43.31 H new ATOM 0 HB3 LYS A 38 -0.314 6.200 25.003 1.00 43.31 H new ATOM 0 HG2 LYS A 38 1.717 7.153 25.892 1.00 61.35 H new ATOM 0 HG3 LYS A 38 0.676 6.708 27.229 1.00 61.35 H new ATOM 0 HD2 LYS A 38 2.933 6.112 27.822 1.00 53.11 H new ATOM 0 HD3 LYS A 38 2.039 4.626 27.566 1.00 53.11 H new ATOM 0 HE2 LYS A 38 3.057 4.370 25.319 1.00 4.21 H new ATOM 0 HE3 LYS A 38 3.904 5.892 25.509 1.00 4.21 H new ATOM 0 HZ1 LYS A 38 5.315 4.027 26.078 1.00 64.11 H new ATOM 0 HZ2 LYS A 38 5.037 4.988 27.450 1.00 64.11 H new ATOM 0 HZ3 LYS A 38 4.215 3.513 27.265 1.00 64.11 H new ATOM 626 N GLU A 39 -1.014 4.660 28.472 1.00 40.41 N ATOM 627 CA GLU A 39 -1.995 4.800 29.537 1.00 42.32 C ATOM 628 C GLU A 39 -2.473 6.241 29.707 1.00 22.04 C ATOM 629 O GLU A 39 -1.702 7.147 30.018 1.00 32.21 O ATOM 630 CB GLU A 39 -1.433 4.324 30.906 1.00 24.41 C ATOM 631 CG GLU A 39 -1.046 2.821 31.005 1.00 13.33 C ATOM 632 CD GLU A 39 -2.215 1.843 30.878 1.00 71.40 C ATOM 633 OE1 GLU A 39 -2.100 0.903 30.050 1.00 14.32 O ATOM 634 OE2 GLU A 39 -3.211 2.002 31.636 1.00 73.52 O ATOM 0 H GLU A 39 -0.084 4.386 28.789 1.00 40.41 H new ATOM 0 HA GLU A 39 -2.834 4.173 29.236 1.00 42.32 H new ATOM 0 HB2 GLU A 39 -0.552 4.921 31.140 1.00 24.41 H new ATOM 0 HB3 GLU A 39 -2.176 4.538 31.674 1.00 24.41 H new ATOM 0 HG2 GLU A 39 -0.318 2.597 30.226 1.00 13.33 H new ATOM 0 HG3 GLU A 39 -0.552 2.651 31.961 1.00 13.33 H new ATOM 641 N GLY A 40 -3.793 6.462 29.506 1.00 1.10 N ATOM 642 CA GLY A 40 -4.441 7.757 29.660 1.00 2.20 C ATOM 643 C GLY A 40 -4.266 8.712 28.504 1.00 2.15 C ATOM 644 O GLY A 40 -4.739 9.844 28.578 1.00 22.33 O ATOM 0 H GLY A 40 -4.437 5.722 29.227 1.00 1.10 H new ATOM 0 HA2 GLY A 40 -5.507 7.594 29.816 1.00 2.20 H new ATOM 0 HA3 GLY A 40 -4.056 8.232 30.562 1.00 2.20 H new ATOM 648 N TYR A 41 -3.566 8.313 27.414 1.00 1.43 N ATOM 649 CA TYR A 41 -3.194 9.203 26.333 1.00 4.11 C ATOM 650 C TYR A 41 -4.402 9.682 25.525 1.00 41.45 C ATOM 651 O TYR A 41 -5.326 8.930 25.211 1.00 43.42 O ATOM 652 CB TYR A 41 -2.134 8.518 25.432 1.00 23.13 C ATOM 653 CG TYR A 41 -1.454 9.479 24.502 1.00 43.23 C ATOM 654 CD1 TYR A 41 -1.497 9.334 23.109 1.00 40.13 C ATOM 655 CD2 TYR A 41 -0.719 10.535 25.062 1.00 64.51 C ATOM 656 CE1 TYR A 41 -0.821 10.245 22.281 1.00 20.20 C ATOM 657 CE2 TYR A 41 -0.051 11.451 24.239 1.00 24.40 C ATOM 658 CZ TYR A 41 -0.101 11.306 22.848 1.00 4.45 C ATOM 659 OH TYR A 41 0.585 12.222 22.024 1.00 4.30 O ATOM 0 H TYR A 41 -3.250 7.353 27.278 1.00 1.43 H new ATOM 0 HA TYR A 41 -2.756 10.100 26.771 1.00 4.11 H new ATOM 0 HB2 TYR A 41 -1.385 8.037 26.061 1.00 23.13 H new ATOM 0 HB3 TYR A 41 -2.613 7.732 24.848 1.00 23.13 H new ATOM 0 HD1 TYR A 41 -2.052 8.518 22.670 1.00 40.13 H new ATOM 0 HD2 TYR A 41 -0.668 10.642 26.135 1.00 64.51 H new ATOM 0 HE1 TYR A 41 -0.856 10.128 21.208 1.00 20.20 H new ATOM 0 HE2 TYR A 41 0.502 12.268 24.678 1.00 24.40 H new ATOM 0 HH TYR A 41 1.030 12.894 22.582 1.00 4.30 H new ATOM 669 N GLN A 42 -4.441 10.994 25.204 1.00 23.22 N ATOM 670 CA GLN A 42 -5.658 11.651 24.759 1.00 63.43 C ATOM 671 C GLN A 42 -5.889 11.539 23.270 1.00 53.21 C ATOM 672 O GLN A 42 -5.649 12.458 22.489 1.00 51.43 O ATOM 673 CB GLN A 42 -5.726 13.146 25.166 1.00 12.43 C ATOM 674 CG GLN A 42 -5.729 13.354 26.698 1.00 2.02 C ATOM 675 CD GLN A 42 -4.317 13.489 27.280 1.00 65.32 C ATOM 676 OE1 GLN A 42 -3.621 14.473 27.021 1.00 60.41 O ATOM 677 NE2 GLN A 42 -3.876 12.492 28.089 1.00 72.13 N ATOM 0 H GLN A 42 -3.629 11.610 25.250 1.00 23.22 H new ATOM 0 HA GLN A 42 -6.451 11.110 25.275 1.00 63.43 H new ATOM 0 HB2 GLN A 42 -4.875 13.674 24.735 1.00 12.43 H new ATOM 0 HB3 GLN A 42 -6.626 13.592 24.742 1.00 12.43 H new ATOM 0 HG2 GLN A 42 -6.303 14.249 26.938 1.00 2.02 H new ATOM 0 HG3 GLN A 42 -6.235 12.514 27.174 1.00 2.02 H new ATOM 0 HE21 GLN A 42 -4.476 11.691 28.284 1.00 72.13 H new ATOM 0 HE22 GLN A 42 -2.945 12.544 28.502 1.00 72.13 H new ATOM 686 N ILE A 43 -6.413 10.373 22.862 1.00 11.43 N ATOM 687 CA ILE A 43 -6.809 10.091 21.496 1.00 51.22 C ATOM 688 C ILE A 43 -8.316 10.279 21.408 1.00 24.22 C ATOM 689 O ILE A 43 -9.094 9.578 22.053 1.00 41.23 O ATOM 690 CB ILE A 43 -6.427 8.676 21.113 1.00 45.12 C ATOM 691 CG1 ILE A 43 -4.907 8.428 21.256 1.00 63.21 C ATOM 692 CG2 ILE A 43 -6.910 8.316 19.687 1.00 10.11 C ATOM 693 CD1 ILE A 43 -4.011 9.124 20.227 1.00 24.51 C ATOM 0 H ILE A 43 -6.572 9.590 23.496 1.00 11.43 H new ATOM 0 HA ILE A 43 -6.300 10.764 20.806 1.00 51.22 H new ATOM 0 HB ILE A 43 -6.937 8.016 21.815 1.00 45.12 H new ATOM 0 HG12 ILE A 43 -4.599 8.748 22.251 1.00 63.21 H new ATOM 0 HG13 ILE A 43 -4.727 7.355 21.197 1.00 63.21 H new ATOM 0 HG21 ILE A 43 -6.616 7.293 19.451 1.00 10.11 H new ATOM 0 HG22 ILE A 43 -7.995 8.402 19.638 1.00 10.11 H new ATOM 0 HG23 ILE A 43 -6.459 8.999 18.967 1.00 10.11 H new ATOM 0 HD11 ILE A 43 -2.968 8.877 20.426 1.00 24.51 H new ATOM 0 HD12 ILE A 43 -4.278 8.788 19.225 1.00 24.51 H new ATOM 0 HD13 ILE A 43 -4.148 10.203 20.296 1.00 24.51 H new ATOM 705 N THR A 44 -8.758 11.265 20.599 1.00 3.01 N ATOM 706 CA THR A 44 -10.148 11.702 20.512 1.00 2.33 C ATOM 707 C THR A 44 -10.627 11.656 19.076 1.00 11.10 C ATOM 708 O THR A 44 -11.696 12.162 18.747 1.00 12.32 O ATOM 709 CB THR A 44 -10.363 13.112 21.067 1.00 62.04 C ATOM 710 OG1 THR A 44 -9.597 14.097 20.375 1.00 5.44 O ATOM 711 CG2 THR A 44 -9.951 13.160 22.552 1.00 2.14 C ATOM 0 H THR A 44 -8.137 11.784 19.979 1.00 3.01 H new ATOM 0 HA THR A 44 -10.726 11.012 21.126 1.00 2.33 H new ATOM 0 HB THR A 44 -11.422 13.336 20.938 1.00 62.04 H new ATOM 0 HG1 THR A 44 -9.770 14.979 20.765 1.00 5.44 H new ATOM 0 HG21 THR A 44 -10.107 14.166 22.940 1.00 2.14 H new ATOM 0 HG22 THR A 44 -10.556 12.454 23.121 1.00 2.14 H new ATOM 0 HG23 THR A 44 -8.898 12.894 22.646 1.00 2.14 H new ATOM 719 N ASN A 45 -9.804 11.094 18.168 1.00 54.24 N ATOM 720 CA ASN A 45 -9.941 11.256 16.741 1.00 24.02 C ATOM 721 C ASN A 45 -10.861 10.211 16.145 1.00 74.24 C ATOM 722 O ASN A 45 -10.703 9.018 16.374 1.00 4.24 O ATOM 723 CB ASN A 45 -8.536 11.210 16.088 1.00 43.20 C ATOM 724 CG ASN A 45 -8.584 11.643 14.624 1.00 10.53 C ATOM 725 OD1 ASN A 45 -9.413 12.465 14.228 1.00 0.23 O ATOM 726 ND2 ASN A 45 -7.685 11.056 13.801 1.00 30.42 N ATOM 0 H ASN A 45 -9.014 10.505 18.432 1.00 54.24 H new ATOM 0 HA ASN A 45 -10.399 12.224 16.538 1.00 24.02 H new ATOM 0 HB2 ASN A 45 -7.856 11.860 16.639 1.00 43.20 H new ATOM 0 HB3 ASN A 45 -8.135 10.199 16.156 1.00 43.20 H new ATOM 0 HD21 ASN A 45 -7.675 11.289 12.808 1.00 30.42 H new ATOM 0 HD22 ASN A 45 -7.017 10.381 14.174 1.00 30.42 H new ATOM 733 N ARG A 46 -11.812 10.647 15.295 1.00 61.24 N ATOM 734 CA ARG A 46 -12.855 9.841 14.687 1.00 0.13 C ATOM 735 C ARG A 46 -12.323 8.695 13.843 1.00 61.45 C ATOM 736 O ARG A 46 -12.886 7.605 13.817 1.00 24.05 O ATOM 737 CB ARG A 46 -13.758 10.769 13.839 1.00 1.32 C ATOM 738 CG ARG A 46 -13.036 11.434 12.650 1.00 72.44 C ATOM 739 CD ARG A 46 -13.881 12.535 12.007 1.00 2.33 C ATOM 740 NE ARG A 46 -13.097 13.130 10.875 1.00 20.31 N ATOM 741 CZ ARG A 46 -13.606 14.122 10.084 1.00 74.52 C ATOM 742 NH1 ARG A 46 -14.869 14.587 10.297 1.00 72.01 N ATOM 743 NH2 ARG A 46 -12.835 14.640 9.085 1.00 41.13 N ATOM 0 H ARG A 46 -11.864 11.624 15.008 1.00 61.24 H new ATOM 0 HA ARG A 46 -13.424 9.371 15.489 1.00 0.13 H new ATOM 0 HB2 ARG A 46 -14.601 10.191 13.461 1.00 1.32 H new ATOM 0 HB3 ARG A 46 -14.168 11.547 14.483 1.00 1.32 H new ATOM 0 HG2 ARG A 46 -12.090 11.856 12.990 1.00 72.44 H new ATOM 0 HG3 ARG A 46 -12.797 10.678 11.902 1.00 72.44 H new ATOM 0 HD2 ARG A 46 -14.823 12.126 11.643 1.00 2.33 H new ATOM 0 HD3 ARG A 46 -14.129 13.301 12.741 1.00 2.33 H new ATOM 0 HE ARG A 46 -12.156 12.784 10.690 1.00 20.31 H new ATOM 0 HH11 ARG A 46 -15.437 14.195 11.048 1.00 72.01 H new ATOM 0 HH12 ARG A 46 -15.246 15.327 9.705 1.00 72.01 H new ATOM 0 HH21 ARG A 46 -11.890 14.287 8.935 1.00 41.13 H new ATOM 0 HH22 ARG A 46 -13.204 15.380 8.488 1.00 41.13 H new ATOM 757 N GLU A 47 -11.156 8.895 13.200 1.00 3.10 N ATOM 758 CA GLU A 47 -10.400 7.880 12.518 1.00 31.12 C ATOM 759 C GLU A 47 -9.895 6.768 13.373 1.00 71.10 C ATOM 760 O GLU A 47 -9.786 5.644 12.891 1.00 33.11 O ATOM 761 CB GLU A 47 -9.216 8.487 11.762 1.00 63.24 C ATOM 762 CG GLU A 47 -9.639 9.133 10.432 1.00 63.33 C ATOM 763 CD GLU A 47 -8.699 10.203 9.890 1.00 40.43 C ATOM 764 OE1 GLU A 47 -8.451 11.190 10.632 1.00 61.50 O ATOM 765 OE2 GLU A 47 -8.234 10.052 8.731 1.00 31.52 O ATOM 0 H GLU A 47 -10.714 9.813 13.152 1.00 3.10 H new ATOM 0 HA GLU A 47 -11.125 7.439 11.834 1.00 31.12 H new ATOM 0 HB2 GLU A 47 -8.733 9.236 12.389 1.00 63.24 H new ATOM 0 HB3 GLU A 47 -8.476 7.710 11.567 1.00 63.24 H new ATOM 0 HG2 GLU A 47 -9.737 8.348 9.682 1.00 63.33 H new ATOM 0 HG3 GLU A 47 -10.627 9.575 10.562 1.00 63.33 H new ATOM 772 N ALA A 48 -9.577 7.040 14.654 1.00 23.24 N ATOM 773 CA ALA A 48 -9.077 6.010 15.551 1.00 43.31 C ATOM 774 C ALA A 48 -10.074 4.879 15.684 1.00 44.13 C ATOM 775 O ALA A 48 -9.738 3.714 15.534 1.00 31.25 O ATOM 776 CB ALA A 48 -8.753 6.581 16.962 1.00 24.32 C ATOM 0 H ALA A 48 -9.661 7.964 15.078 1.00 23.24 H new ATOM 0 HA ALA A 48 -8.155 5.629 15.112 1.00 43.31 H new ATOM 0 HB1 ALA A 48 -8.382 5.780 17.602 1.00 24.32 H new ATOM 0 HB2 ALA A 48 -7.993 7.357 16.875 1.00 24.32 H new ATOM 0 HB3 ALA A 48 -9.657 7.006 17.399 1.00 24.32 H new ATOM 782 N GLY A 49 -11.371 5.208 15.835 1.00 64.34 N ATOM 783 CA GLY A 49 -12.442 4.225 15.866 1.00 55.45 C ATOM 784 C GLY A 49 -12.583 3.490 14.581 1.00 12.32 C ATOM 785 O GLY A 49 -12.811 2.284 14.594 1.00 54.30 O ATOM 0 H GLY A 49 -11.694 6.170 15.938 1.00 64.34 H new ATOM 0 HA2 GLY A 49 -12.253 3.512 16.669 1.00 55.45 H new ATOM 0 HA3 GLY A 49 -13.382 4.725 16.099 1.00 55.45 H new ATOM 789 N CYS A 50 -12.439 4.206 13.439 1.00 4.35 N ATOM 790 CA CYS A 50 -12.578 3.641 12.114 1.00 71.32 C ATOM 791 C CYS A 50 -11.513 2.594 11.850 1.00 2.05 C ATOM 792 O CYS A 50 -11.811 1.539 11.298 1.00 45.53 O ATOM 793 CB CYS A 50 -12.515 4.730 11.012 1.00 74.04 C ATOM 794 SG CYS A 50 -13.902 5.924 11.023 1.00 31.00 S ATOM 0 H CYS A 50 -12.221 5.202 13.434 1.00 4.35 H new ATOM 0 HA CYS A 50 -13.560 3.170 12.078 1.00 71.32 H new ATOM 0 HB2 CYS A 50 -11.581 5.281 11.120 1.00 74.04 H new ATOM 0 HB3 CYS A 50 -12.485 4.240 10.039 1.00 74.04 H new ATOM 799 N VAL A 51 -10.243 2.833 12.266 1.00 61.23 N ATOM 800 CA VAL A 51 -9.216 1.800 12.194 1.00 72.24 C ATOM 801 C VAL A 51 -9.473 0.683 13.169 1.00 23.20 C ATOM 802 O VAL A 51 -9.354 -0.482 12.829 1.00 34.53 O ATOM 803 CB VAL A 51 -7.770 2.333 12.287 1.00 53.23 C ATOM 804 CG1 VAL A 51 -7.455 3.257 13.481 1.00 55.41 C ATOM 805 CG2 VAL A 51 -6.777 1.156 12.443 1.00 43.24 C ATOM 0 H VAL A 51 -9.923 3.723 12.647 1.00 61.23 H new ATOM 0 HA VAL A 51 -9.298 1.387 11.189 1.00 72.24 H new ATOM 0 HB VAL A 51 -7.667 2.906 11.365 1.00 53.23 H new ATOM 0 HG11 VAL A 51 -6.410 3.565 13.437 1.00 55.41 H new ATOM 0 HG12 VAL A 51 -8.096 4.138 13.438 1.00 55.41 H new ATOM 0 HG13 VAL A 51 -7.636 2.722 14.413 1.00 55.41 H new ATOM 0 HG21 VAL A 51 -5.760 1.544 12.508 1.00 43.24 H new ATOM 0 HG22 VAL A 51 -7.012 0.600 13.351 1.00 43.24 H new ATOM 0 HG23 VAL A 51 -6.859 0.494 11.581 1.00 43.24 H new ATOM 815 N ILE A 52 -9.902 0.976 14.399 1.00 14.52 N ATOM 816 CA ILE A 52 -10.081 -0.039 15.432 1.00 25.45 C ATOM 817 C ILE A 52 -11.106 -1.089 15.037 1.00 3.54 C ATOM 818 O ILE A 52 -10.870 -2.292 15.152 1.00 4.21 O ATOM 819 CB ILE A 52 -10.453 0.624 16.754 1.00 61.12 C ATOM 820 CG1 ILE A 52 -9.247 1.389 17.335 1.00 52.42 C ATOM 821 CG2 ILE A 52 -11.027 -0.415 17.739 1.00 23.41 C ATOM 822 CD1 ILE A 52 -9.524 2.535 18.332 1.00 2.05 C ATOM 0 H ILE A 52 -10.134 1.922 14.703 1.00 14.52 H new ATOM 0 HA ILE A 52 -9.133 -0.563 15.552 1.00 25.45 H new ATOM 0 HB ILE A 52 -11.238 1.359 16.576 1.00 61.12 H new ATOM 0 HG12 ILE A 52 -8.600 0.665 17.831 1.00 52.42 H new ATOM 0 HG13 ILE A 52 -8.681 1.803 16.500 1.00 52.42 H new ATOM 0 HG21 ILE A 52 -11.287 0.077 18.676 1.00 23.41 H new ATOM 0 HG22 ILE A 52 -11.919 -0.870 17.309 1.00 23.41 H new ATOM 0 HG23 ILE A 52 -10.281 -1.187 17.929 1.00 23.41 H new ATOM 0 HD11 ILE A 52 -8.580 2.976 18.651 1.00 2.05 H new ATOM 0 HD12 ILE A 52 -10.135 3.298 17.849 1.00 2.05 H new ATOM 0 HD13 ILE A 52 -10.053 2.142 19.200 1.00 2.05 H new ATOM 834 N LEU A 53 -12.260 -0.646 14.512 1.00 21.13 N ATOM 835 CA LEU A 53 -13.342 -1.507 14.102 1.00 14.14 C ATOM 836 C LEU A 53 -13.056 -2.383 12.910 1.00 11.25 C ATOM 837 O LEU A 53 -13.575 -3.488 12.772 1.00 30.11 O ATOM 838 CB LEU A 53 -14.611 -0.645 13.940 1.00 74.14 C ATOM 839 CG LEU A 53 -14.712 0.418 12.822 1.00 15.33 C ATOM 840 CD1 LEU A 53 -14.723 -0.131 11.391 1.00 3.13 C ATOM 841 CD2 LEU A 53 -15.993 1.235 13.055 1.00 14.31 C ATOM 0 H LEU A 53 -12.455 0.344 14.364 1.00 21.13 H new ATOM 0 HA LEU A 53 -13.493 -2.246 14.889 1.00 14.14 H new ATOM 0 HB2 LEU A 53 -15.448 -1.330 13.806 1.00 74.14 H new ATOM 0 HB3 LEU A 53 -14.770 -0.129 14.887 1.00 74.14 H new ATOM 0 HG LEU A 53 -13.805 1.019 12.891 1.00 15.33 H new ATOM 0 HD11 LEU A 53 -14.796 0.696 10.685 1.00 3.13 H new ATOM 0 HD12 LEU A 53 -13.803 -0.685 11.207 1.00 3.13 H new ATOM 0 HD13 LEU A 53 -15.578 -0.795 11.263 1.00 3.13 H new ATOM 0 HD21 LEU A 53 -16.087 1.993 12.278 1.00 14.31 H new ATOM 0 HD22 LEU A 53 -16.858 0.573 13.023 1.00 14.31 H new ATOM 0 HD23 LEU A 53 -15.943 1.719 14.030 1.00 14.31 H new ATOM 853 N CYS A 54 -12.174 -1.886 12.036 1.00 3.00 N ATOM 854 CA CYS A 54 -11.653 -2.520 10.862 1.00 0.34 C ATOM 855 C CYS A 54 -10.858 -3.768 11.171 1.00 4.25 C ATOM 856 O CYS A 54 -11.045 -4.780 10.497 1.00 33.21 O ATOM 857 CB CYS A 54 -10.873 -1.442 10.142 1.00 21.43 C ATOM 858 SG CYS A 54 -9.972 -1.868 8.662 1.00 73.30 S ATOM 0 H CYS A 54 -11.786 -0.951 12.160 1.00 3.00 H new ATOM 0 HA CYS A 54 -12.446 -2.905 10.221 1.00 0.34 H new ATOM 0 HB2 CYS A 54 -11.572 -0.647 9.884 1.00 21.43 H new ATOM 0 HB3 CYS A 54 -10.160 -1.022 10.852 1.00 21.43 H new ATOM 863 N LEU A 55 -9.991 -3.783 12.227 1.00 24.23 N ATOM 864 CA LEU A 55 -9.311 -4.985 12.616 1.00 2.12 C ATOM 865 C LEU A 55 -10.226 -6.096 13.007 1.00 33.41 C ATOM 866 O LEU A 55 -9.947 -7.237 12.686 1.00 4.15 O ATOM 867 CB LEU A 55 -8.392 -4.626 13.754 1.00 61.42 C ATOM 868 CG LEU A 55 -7.133 -3.873 13.290 1.00 44.03 C ATOM 869 CD1 LEU A 55 -6.174 -4.822 12.569 1.00 70.22 C ATOM 870 CD2 LEU A 55 -7.236 -2.542 12.550 1.00 22.32 C ATOM 0 H LEU A 55 -9.771 -2.967 12.798 1.00 24.23 H new ATOM 0 HA LEU A 55 -8.761 -5.367 11.756 1.00 2.12 H new ATOM 0 HB2 LEU A 55 -8.934 -4.010 14.472 1.00 61.42 H new ATOM 0 HB3 LEU A 55 -8.094 -5.536 14.275 1.00 61.42 H new ATOM 0 HG LEU A 55 -6.753 -3.524 14.250 1.00 44.03 H new ATOM 0 HD11 LEU A 55 -5.290 -4.271 12.248 1.00 70.22 H new ATOM 0 HD12 LEU A 55 -5.877 -5.623 13.246 1.00 70.22 H new ATOM 0 HD13 LEU A 55 -6.671 -5.249 11.698 1.00 70.22 H new ATOM 0 HD21 LEU A 55 -6.236 -2.179 12.313 1.00 22.32 H new ATOM 0 HD22 LEU A 55 -7.800 -2.681 11.628 1.00 22.32 H new ATOM 0 HD23 LEU A 55 -7.746 -1.814 13.180 1.00 22.32 H new ATOM 882 N ALA A 56 -11.357 -5.791 13.650 1.00 53.12 N ATOM 883 CA ALA A 56 -12.303 -6.769 14.143 1.00 54.54 C ATOM 884 C ALA A 56 -12.840 -7.722 13.098 1.00 12.31 C ATOM 885 O ALA A 56 -13.005 -8.915 13.340 1.00 33.25 O ATOM 886 CB ALA A 56 -13.478 -6.053 14.825 1.00 63.53 C ATOM 0 H ALA A 56 -11.638 -4.829 13.842 1.00 53.12 H new ATOM 0 HA ALA A 56 -11.743 -7.384 14.848 1.00 54.54 H new ATOM 0 HB1 ALA A 56 -14.189 -6.792 15.195 1.00 63.53 H new ATOM 0 HB2 ALA A 56 -13.107 -5.457 15.659 1.00 63.53 H new ATOM 0 HB3 ALA A 56 -13.974 -5.401 14.106 1.00 63.53 H new ATOM 892 N LYS A 57 -13.092 -7.211 11.882 1.00 24.51 N ATOM 893 CA LYS A 57 -13.389 -8.066 10.744 1.00 71.20 C ATOM 894 C LYS A 57 -12.171 -8.860 10.275 1.00 53.14 C ATOM 895 O LYS A 57 -12.243 -10.041 9.936 1.00 10.12 O ATOM 896 CB LYS A 57 -13.938 -7.227 9.562 1.00 32.04 C ATOM 897 CG LYS A 57 -15.317 -6.605 9.842 1.00 71.44 C ATOM 898 CD LYS A 57 -15.819 -5.749 8.665 1.00 32.43 C ATOM 899 CE LYS A 57 -17.186 -5.095 8.889 1.00 21.12 C ATOM 900 NZ LYS A 57 -18.251 -6.116 8.948 1.00 3.54 N ATOM 0 H LYS A 57 -13.094 -6.213 11.672 1.00 24.51 H new ATOM 0 HA LYS A 57 -14.144 -8.777 11.079 1.00 71.20 H new ATOM 0 HB2 LYS A 57 -13.229 -6.432 9.331 1.00 32.04 H new ATOM 0 HB3 LYS A 57 -14.006 -7.860 8.678 1.00 32.04 H new ATOM 0 HG2 LYS A 57 -16.037 -7.398 10.045 1.00 71.44 H new ATOM 0 HG3 LYS A 57 -15.260 -5.988 10.739 1.00 71.44 H new ATOM 0 HD2 LYS A 57 -15.086 -4.968 8.462 1.00 32.43 H new ATOM 0 HD3 LYS A 57 -15.872 -6.375 7.774 1.00 32.43 H new ATOM 0 HE2 LYS A 57 -17.173 -4.522 9.816 1.00 21.12 H new ATOM 0 HE3 LYS A 57 -17.394 -4.392 8.083 1.00 21.12 H new ATOM 0 HZ1 LYS A 57 -19.173 -5.650 9.066 1.00 3.54 H new ATOM 0 HZ2 LYS A 57 -18.253 -6.667 8.066 1.00 3.54 H new ATOM 0 HZ3 LYS A 57 -18.079 -6.751 9.753 1.00 3.54 H new ATOM 914 N LYS A 58 -10.996 -8.205 10.257 1.00 55.01 N ATOM 915 CA LYS A 58 -9.763 -8.682 9.674 1.00 64.34 C ATOM 916 C LYS A 58 -8.896 -9.493 10.640 1.00 41.32 C ATOM 917 O LYS A 58 -7.672 -9.379 10.660 1.00 13.34 O ATOM 918 CB LYS A 58 -8.954 -7.478 9.147 1.00 31.11 C ATOM 919 CG LYS A 58 -9.602 -6.711 7.986 1.00 72.24 C ATOM 920 CD LYS A 58 -8.675 -5.594 7.472 1.00 74.41 C ATOM 921 CE LYS A 58 -9.241 -4.783 6.307 1.00 11.53 C ATOM 922 NZ LYS A 58 -9.431 -5.635 5.116 1.00 45.51 N ATOM 0 H LYS A 58 -10.893 -7.281 10.675 1.00 55.01 H new ATOM 0 HA LYS A 58 -10.040 -9.359 8.866 1.00 64.34 H new ATOM 0 HB2 LYS A 58 -8.787 -6.784 9.971 1.00 31.11 H new ATOM 0 HB3 LYS A 58 -7.975 -7.832 8.825 1.00 31.11 H new ATOM 0 HG2 LYS A 58 -9.830 -7.401 7.173 1.00 72.24 H new ATOM 0 HG3 LYS A 58 -10.548 -6.280 8.314 1.00 72.24 H new ATOM 0 HD2 LYS A 58 -8.454 -4.916 8.296 1.00 74.41 H new ATOM 0 HD3 LYS A 58 -7.729 -6.039 7.162 1.00 74.41 H new ATOM 0 HE2 LYS A 58 -10.193 -4.338 6.597 1.00 11.53 H new ATOM 0 HE3 LYS A 58 -8.565 -3.962 6.068 1.00 11.53 H new ATOM 0 HZ1 LYS A 58 -9.752 -5.050 4.318 1.00 45.51 H new ATOM 0 HZ2 LYS A 58 -8.530 -6.093 4.869 1.00 45.51 H new ATOM 0 HZ3 LYS A 58 -10.145 -6.363 5.320 1.00 45.51 H new ATOM 936 N LEU A 59 -9.510 -10.394 11.435 1.00 44.23 N ATOM 937 CA LEU A 59 -8.806 -11.232 12.412 1.00 73.04 C ATOM 938 C LEU A 59 -8.412 -12.532 11.775 1.00 0.43 C ATOM 939 O LEU A 59 -7.547 -13.272 12.221 1.00 22.03 O ATOM 940 CB LEU A 59 -9.632 -11.597 13.657 1.00 33.31 C ATOM 941 CG LEU A 59 -10.099 -10.369 14.450 1.00 43.10 C ATOM 942 CD1 LEU A 59 -10.918 -10.774 15.687 1.00 24.22 C ATOM 943 CD2 LEU A 59 -9.103 -9.240 14.688 1.00 10.31 C ATOM 0 H LEU A 59 -10.517 -10.557 11.412 1.00 44.23 H new ATOM 0 HA LEU A 59 -7.954 -10.631 12.729 1.00 73.04 H new ATOM 0 HB2 LEU A 59 -10.503 -12.177 13.351 1.00 33.31 H new ATOM 0 HB3 LEU A 59 -9.035 -12.237 14.307 1.00 33.31 H new ATOM 0 HG LEU A 59 -10.767 -9.862 13.753 1.00 43.10 H new ATOM 0 HD11 LEU A 59 -11.232 -9.879 16.224 1.00 24.22 H new ATOM 0 HD12 LEU A 59 -11.798 -11.336 15.373 1.00 24.22 H new ATOM 0 HD13 LEU A 59 -10.306 -11.394 16.342 1.00 24.22 H new ATOM 0 HD21 LEU A 59 -9.582 -8.447 15.261 1.00 10.31 H new ATOM 0 HD22 LEU A 59 -8.246 -9.622 15.243 1.00 10.31 H new ATOM 0 HD23 LEU A 59 -8.767 -8.843 13.730 1.00 10.31 H new ATOM 955 N GLU A 60 -9.065 -12.780 10.642 1.00 11.42 N ATOM 956 CA GLU A 60 -8.875 -13.891 9.720 1.00 73.31 C ATOM 957 C GLU A 60 -7.477 -13.855 9.143 1.00 53.25 C ATOM 958 O GLU A 60 -6.847 -14.868 8.855 1.00 31.24 O ATOM 959 CB GLU A 60 -9.891 -13.830 8.553 1.00 53.43 C ATOM 960 CG GLU A 60 -11.336 -13.985 9.071 1.00 32.32 C ATOM 961 CD GLU A 60 -12.387 -14.208 7.981 1.00 20.32 C ATOM 962 OE1 GLU A 60 -13.544 -14.531 8.373 1.00 1.03 O ATOM 963 OE2 GLU A 60 -12.060 -14.069 6.776 1.00 40.01 O ATOM 0 H GLU A 60 -9.803 -12.154 10.321 1.00 11.42 H new ATOM 0 HA GLU A 60 -9.029 -14.813 10.280 1.00 73.31 H new ATOM 0 HB2 GLU A 60 -9.789 -12.881 8.026 1.00 53.43 H new ATOM 0 HB3 GLU A 60 -9.672 -14.619 7.833 1.00 53.43 H new ATOM 0 HG2 GLU A 60 -11.370 -14.824 9.766 1.00 32.32 H new ATOM 0 HG3 GLU A 60 -11.602 -13.092 9.636 1.00 32.32 H new ATOM 970 N LEU A 61 -7.019 -12.610 8.958 1.00 4.44 N ATOM 971 CA LEU A 61 -5.734 -12.189 8.437 1.00 2.10 C ATOM 972 C LEU A 61 -4.592 -12.541 9.386 1.00 3.22 C ATOM 973 O LEU A 61 -3.447 -12.706 8.970 1.00 45.34 O ATOM 974 CB LEU A 61 -5.654 -10.666 8.180 1.00 1.02 C ATOM 975 CG LEU A 61 -6.648 -10.022 7.184 1.00 43.45 C ATOM 976 CD1 LEU A 61 -5.929 -9.059 6.231 1.00 64.25 C ATOM 977 CD2 LEU A 61 -7.774 -10.869 6.559 1.00 14.04 C ATOM 0 H LEU A 61 -7.601 -11.806 9.194 1.00 4.44 H new ATOM 0 HA LEU A 61 -5.634 -12.725 7.493 1.00 2.10 H new ATOM 0 HB2 LEU A 61 -5.777 -10.163 9.139 1.00 1.02 H new ATOM 0 HB3 LEU A 61 -4.646 -10.443 7.830 1.00 1.02 H new ATOM 0 HG LEU A 61 -7.299 -9.444 7.840 1.00 43.45 H new ATOM 0 HD11 LEU A 61 -6.652 -8.621 5.542 1.00 64.25 H new ATOM 0 HD12 LEU A 61 -5.451 -8.267 6.807 1.00 64.25 H new ATOM 0 HD13 LEU A 61 -5.173 -9.604 5.665 1.00 64.25 H new ATOM 0 HD21 LEU A 61 -8.368 -10.247 5.889 1.00 14.04 H new ATOM 0 HD22 LEU A 61 -7.339 -11.695 5.997 1.00 14.04 H new ATOM 0 HD23 LEU A 61 -8.413 -11.264 7.349 1.00 14.04 H new ATOM 989 N LEU A 62 -4.891 -12.595 10.703 1.00 2.24 N ATOM 990 CA LEU A 62 -3.955 -12.775 11.795 1.00 1.51 C ATOM 991 C LEU A 62 -3.367 -14.169 11.829 1.00 10.13 C ATOM 992 O LEU A 62 -3.892 -15.135 11.280 1.00 54.10 O ATOM 993 CB LEU A 62 -4.609 -12.489 13.173 1.00 63.24 C ATOM 994 CG LEU A 62 -5.150 -11.052 13.288 1.00 22.34 C ATOM 995 CD1 LEU A 62 -5.969 -10.817 14.566 1.00 14.34 C ATOM 996 CD2 LEU A 62 -4.054 -9.981 13.192 1.00 52.40 C ATOM 0 H LEU A 62 -5.852 -12.507 11.033 1.00 2.24 H new ATOM 0 HA LEU A 62 -3.158 -12.055 11.610 1.00 1.51 H new ATOM 0 HB2 LEU A 62 -5.424 -13.194 13.337 1.00 63.24 H new ATOM 0 HB3 LEU A 62 -3.876 -12.661 13.961 1.00 63.24 H new ATOM 0 HG LEU A 62 -5.810 -10.949 12.426 1.00 22.34 H new ATOM 0 HD11 LEU A 62 -6.322 -9.786 14.588 1.00 14.34 H new ATOM 0 HD12 LEU A 62 -6.824 -11.493 14.580 1.00 14.34 H new ATOM 0 HD13 LEU A 62 -5.343 -11.005 15.439 1.00 14.34 H new ATOM 0 HD21 LEU A 62 -4.503 -8.992 13.280 1.00 52.40 H new ATOM 0 HD22 LEU A 62 -3.333 -10.125 13.996 1.00 52.40 H new ATOM 0 HD23 LEU A 62 -3.547 -10.065 12.231 1.00 52.40 H new ATOM 1008 N ASP A 63 -2.192 -14.291 12.472 1.00 11.10 N ATOM 1009 CA ASP A 63 -1.459 -15.533 12.525 1.00 13.32 C ATOM 1010 C ASP A 63 -2.148 -16.552 13.426 1.00 51.53 C ATOM 1011 O ASP A 63 -2.469 -16.268 14.577 1.00 21.35 O ATOM 1012 CB ASP A 63 -0.017 -15.278 13.025 1.00 13.31 C ATOM 1013 CG ASP A 63 0.764 -14.446 12.016 1.00 15.24 C ATOM 1014 OD1 ASP A 63 0.928 -14.921 10.864 1.00 71.40 O ATOM 1015 OD2 ASP A 63 1.202 -13.330 12.399 1.00 53.32 O ATOM 0 H ASP A 63 -1.738 -13.521 12.964 1.00 11.10 H new ATOM 0 HA ASP A 63 -1.427 -15.944 11.516 1.00 13.32 H new ATOM 0 HB2 ASP A 63 -0.046 -14.762 13.985 1.00 13.31 H new ATOM 0 HB3 ASP A 63 0.490 -16.229 13.189 1.00 13.31 H new ATOM 1020 N GLN A 64 -2.327 -17.801 12.933 1.00 1.13 N ATOM 1021 CA GLN A 64 -3.046 -18.873 13.604 1.00 14.23 C ATOM 1022 C GLN A 64 -2.448 -19.274 14.945 1.00 62.21 C ATOM 1023 O GLN A 64 -3.152 -19.712 15.850 1.00 13.21 O ATOM 1024 CB GLN A 64 -3.196 -20.091 12.654 1.00 31.44 C ATOM 1025 CG GLN A 64 -3.966 -21.297 13.246 1.00 74.44 C ATOM 1026 CD GLN A 64 -5.387 -20.945 13.716 1.00 74.50 C ATOM 1027 OE1 GLN A 64 -6.272 -20.563 12.945 1.00 42.20 O ATOM 1028 NE2 GLN A 64 -5.612 -21.075 15.050 1.00 44.12 N ATOM 0 H GLN A 64 -1.956 -18.084 12.026 1.00 1.13 H new ATOM 0 HA GLN A 64 -4.035 -18.483 13.845 1.00 14.23 H new ATOM 0 HB2 GLN A 64 -3.706 -19.764 11.748 1.00 31.44 H new ATOM 0 HB3 GLN A 64 -2.202 -20.425 12.358 1.00 31.44 H new ATOM 0 HG2 GLN A 64 -4.025 -22.085 12.495 1.00 74.44 H new ATOM 0 HG3 GLN A 64 -3.403 -21.700 14.088 1.00 74.44 H new ATOM 0 HE21 GLN A 64 -4.863 -21.393 15.665 1.00 44.12 H new ATOM 0 HE22 GLN A 64 -6.530 -20.855 15.436 1.00 44.12 H new ATOM 1037 N ASP A 65 -1.133 -19.052 15.134 1.00 53.15 N ATOM 1038 CA ASP A 65 -0.405 -19.315 16.364 1.00 2.42 C ATOM 1039 C ASP A 65 -1.003 -18.616 17.586 1.00 43.40 C ATOM 1040 O ASP A 65 -0.965 -19.170 18.682 1.00 42.23 O ATOM 1041 CB ASP A 65 1.076 -18.857 16.244 1.00 34.41 C ATOM 1042 CG ASP A 65 1.910 -19.751 15.331 1.00 64.52 C ATOM 1043 OD1 ASP A 65 1.455 -20.870 14.985 1.00 44.32 O ATOM 1044 OD2 ASP A 65 3.027 -19.297 14.968 1.00 61.23 O ATOM 0 H ASP A 65 -0.538 -18.670 14.399 1.00 53.15 H new ATOM 0 HA ASP A 65 -0.475 -20.393 16.508 1.00 2.42 H new ATOM 0 HB2 ASP A 65 1.104 -17.835 15.865 1.00 34.41 H new ATOM 0 HB3 ASP A 65 1.526 -18.842 17.237 1.00 34.41 H new ATOM 1049 N MET A 66 -1.566 -17.388 17.448 1.00 32.50 N ATOM 1050 CA MET A 66 -2.179 -16.717 18.587 1.00 72.54 C ATOM 1051 C MET A 66 -3.544 -17.297 18.937 1.00 0.22 C ATOM 1052 O MET A 66 -3.978 -17.167 20.080 1.00 31.24 O ATOM 1053 CB MET A 66 -2.305 -15.178 18.402 1.00 51.41 C ATOM 1054 CG MET A 66 -3.378 -14.654 17.428 1.00 14.55 C ATOM 1055 SD MET A 66 -3.461 -12.841 17.286 1.00 2.05 S ATOM 1056 CE MET A 66 -1.931 -12.604 16.342 1.00 34.31 C ATOM 0 H MET A 66 -1.601 -16.865 16.573 1.00 32.50 H new ATOM 0 HA MET A 66 -1.493 -16.900 19.414 1.00 72.54 H new ATOM 0 HB2 MET A 66 -2.498 -14.738 19.380 1.00 51.41 H new ATOM 0 HB3 MET A 66 -1.338 -14.801 18.069 1.00 51.41 H new ATOM 0 HG2 MET A 66 -3.188 -15.073 16.440 1.00 14.55 H new ATOM 0 HG3 MET A 66 -4.352 -15.024 17.749 1.00 14.55 H new ATOM 0 HE1 MET A 66 -1.918 -11.601 15.916 1.00 34.31 H new ATOM 0 HE2 MET A 66 -1.073 -12.729 17.002 1.00 34.31 H new ATOM 0 HE3 MET A 66 -1.881 -13.339 15.539 1.00 34.31 H new ATOM 1066 N ASN A 67 -4.201 -17.975 17.955 1.00 51.12 N ATOM 1067 CA ASN A 67 -5.555 -18.518 17.946 1.00 53.35 C ATOM 1068 C ASN A 67 -6.721 -17.536 18.064 1.00 64.14 C ATOM 1069 O ASN A 67 -7.747 -17.864 18.654 1.00 40.31 O ATOM 1070 CB ASN A 67 -5.703 -19.641 19.023 1.00 72.32 C ATOM 1071 CG ASN A 67 -4.847 -20.855 18.658 1.00 1.12 C ATOM 1072 OD1 ASN A 67 -5.274 -21.700 17.868 1.00 24.32 O ATOM 1073 ND2 ASN A 67 -3.612 -20.947 19.206 1.00 44.25 N ATOM 0 H ASN A 67 -3.733 -18.164 17.069 1.00 51.12 H new ATOM 0 HA ASN A 67 -5.648 -18.907 16.932 1.00 53.35 H new ATOM 0 HB2 ASN A 67 -5.403 -19.258 19.999 1.00 72.32 H new ATOM 0 HB3 ASN A 67 -6.749 -19.938 19.105 1.00 72.32 H new ATOM 0 HD21 ASN A 67 -3.006 -21.732 18.968 1.00 44.25 H new ATOM 0 HD22 ASN A 67 -3.288 -20.231 19.856 1.00 44.25 H new ATOM 1080 N LEU A 68 -6.648 -16.332 17.445 1.00 35.12 N ATOM 1081 CA LEU A 68 -7.767 -15.396 17.397 1.00 4.20 C ATOM 1082 C LEU A 68 -8.665 -15.696 16.217 1.00 44.34 C ATOM 1083 O LEU A 68 -8.189 -15.682 15.084 1.00 31.42 O ATOM 1084 CB LEU A 68 -7.267 -13.937 17.232 1.00 62.33 C ATOM 1085 CG LEU A 68 -8.176 -12.782 17.725 1.00 72.43 C ATOM 1086 CD1 LEU A 68 -7.862 -11.392 17.180 1.00 33.14 C ATOM 1087 CD2 LEU A 68 -9.634 -13.078 18.104 1.00 41.33 C ATOM 0 H LEU A 68 -5.810 -15.996 16.971 1.00 35.12 H new ATOM 0 HA LEU A 68 -8.311 -15.507 18.335 1.00 4.20 H new ATOM 0 HB2 LEU A 68 -6.313 -13.853 17.753 1.00 62.33 H new ATOM 0 HB3 LEU A 68 -7.068 -13.773 16.173 1.00 62.33 H new ATOM 0 HG LEU A 68 -7.800 -12.718 18.746 1.00 72.43 H new ATOM 0 HD11 LEU A 68 -8.565 -10.670 17.597 1.00 33.14 H new ATOM 0 HD12 LEU A 68 -6.846 -11.113 17.460 1.00 33.14 H new ATOM 0 HD13 LEU A 68 -7.951 -11.399 16.094 1.00 33.14 H new ATOM 0 HD21 LEU A 68 -10.120 -12.157 18.426 1.00 41.33 H new ATOM 0 HD22 LEU A 68 -10.160 -13.483 17.239 1.00 41.33 H new ATOM 0 HD23 LEU A 68 -9.658 -13.804 18.916 1.00 41.33 H new ATOM 1099 N HIS A 69 -9.990 -15.909 16.414 1.00 62.13 N ATOM 1100 CA HIS A 69 -10.886 -15.752 15.278 1.00 5.33 C ATOM 1101 C HIS A 69 -12.101 -15.008 15.762 1.00 61.44 C ATOM 1102 O HIS A 69 -12.296 -14.818 16.961 1.00 52.25 O ATOM 1103 CB HIS A 69 -11.264 -17.093 14.580 1.00 22.25 C ATOM 1104 CG HIS A 69 -10.110 -17.763 13.870 1.00 14.23 C ATOM 1105 ND1 HIS A 69 -9.797 -17.442 12.578 1.00 24.42 N ATOM 1106 CD2 HIS A 69 -9.210 -18.695 14.270 1.00 32.01 C ATOM 1107 CE1 HIS A 69 -8.758 -18.161 12.197 1.00 21.44 C ATOM 1108 NE2 HIS A 69 -8.383 -18.932 13.201 1.00 31.12 N ATOM 0 H HIS A 69 -10.427 -16.173 17.297 1.00 62.13 H new ATOM 0 HA HIS A 69 -10.370 -15.189 14.500 1.00 5.33 H new ATOM 0 HB2 HIS A 69 -11.665 -17.779 15.326 1.00 22.25 H new ATOM 0 HB3 HIS A 69 -12.060 -16.904 13.860 1.00 22.25 H new ATOM 0 HD2 HIS A 69 -9.155 -19.161 15.243 1.00 32.01 H new ATOM 0 HE1 HIS A 69 -8.291 -18.125 11.224 1.00 21.44 H new ATOM 0 HE2 HIS A 69 -7.607 -19.594 13.185 1.00 31.12 H new ATOM 1117 N HIS A 70 -12.940 -14.479 14.852 1.00 0.43 N ATOM 1118 CA HIS A 70 -14.131 -13.777 15.275 1.00 71.31 C ATOM 1119 C HIS A 70 -15.166 -14.676 15.941 1.00 52.20 C ATOM 1120 O HIS A 70 -15.525 -15.747 15.447 1.00 14.03 O ATOM 1121 CB HIS A 70 -14.747 -12.989 14.091 1.00 11.35 C ATOM 1122 CG HIS A 70 -14.896 -13.791 12.826 1.00 62.02 C ATOM 1123 ND1 HIS A 70 -15.464 -15.033 12.784 1.00 24.44 N ATOM 1124 CD2 HIS A 70 -14.453 -13.519 11.580 1.00 23.31 C ATOM 1125 CE1 HIS A 70 -15.368 -15.504 11.553 1.00 52.24 C ATOM 1126 NE2 HIS A 70 -14.756 -14.604 10.804 1.00 30.42 N ATOM 0 H HIS A 70 -12.806 -14.531 13.842 1.00 0.43 H new ATOM 0 HA HIS A 70 -13.817 -13.072 16.045 1.00 71.31 H new ATOM 0 HB2 HIS A 70 -15.727 -12.616 14.389 1.00 11.35 H new ATOM 0 HB3 HIS A 70 -14.124 -12.119 13.885 1.00 11.35 H new ATOM 0 HD2 HIS A 70 -13.954 -12.617 11.257 1.00 23.31 H new ATOM 0 HE1 HIS A 70 -15.729 -16.464 11.216 1.00 52.24 H new ATOM 0 HE2 HIS A 70 -14.544 -14.702 9.811 1.00 30.42 H new ATOM 1135 N GLY A 71 -15.659 -14.213 17.107 1.00 52.22 N ATOM 1136 CA GLY A 71 -16.652 -14.887 17.929 1.00 74.24 C ATOM 1137 C GLY A 71 -16.129 -15.797 19.018 1.00 34.10 C ATOM 1138 O GLY A 71 -16.904 -16.218 19.871 1.00 54.45 O ATOM 0 H GLY A 71 -15.357 -13.324 17.507 1.00 52.22 H new ATOM 0 HA2 GLY A 71 -17.281 -14.128 18.393 1.00 74.24 H new ATOM 0 HA3 GLY A 71 -17.294 -15.475 17.273 1.00 74.24 H new ATOM 1142 N LYS A 72 -14.824 -16.155 19.056 1.00 11.15 N ATOM 1143 CA LYS A 72 -14.384 -17.307 19.801 1.00 45.40 C ATOM 1144 C LYS A 72 -13.635 -16.940 21.069 1.00 71.42 C ATOM 1145 O LYS A 72 -12.949 -17.744 21.705 1.00 5.11 O ATOM 1146 CB LYS A 72 -13.680 -18.190 18.786 1.00 2.31 C ATOM 1147 CG LYS A 72 -12.414 -17.613 18.262 1.00 61.24 C ATOM 1148 CD LYS A 72 -11.302 -18.279 19.021 1.00 1.13 C ATOM 1149 CE LYS A 72 -10.804 -19.518 18.306 1.00 31.32 C ATOM 1150 NZ LYS A 72 -9.528 -19.963 18.875 1.00 74.41 N ATOM 0 H LYS A 72 -14.079 -15.651 18.575 1.00 11.15 H new ATOM 0 HA LYS A 72 -15.200 -17.882 20.239 1.00 45.40 H new ATOM 0 HB2 LYS A 72 -13.465 -19.155 19.245 1.00 2.31 H new ATOM 0 HB3 LYS A 72 -14.355 -18.377 17.951 1.00 2.31 H new ATOM 0 HG2 LYS A 72 -12.318 -17.795 17.192 1.00 61.24 H new ATOM 0 HG3 LYS A 72 -12.390 -16.533 18.405 1.00 61.24 H new ATOM 0 HD2 LYS A 72 -10.478 -17.577 19.151 1.00 1.13 H new ATOM 0 HD3 LYS A 72 -11.651 -18.549 20.018 1.00 1.13 H new ATOM 0 HE2 LYS A 72 -11.543 -20.315 18.389 1.00 31.32 H new ATOM 0 HE3 LYS A 72 -10.681 -19.307 17.244 1.00 31.32 H new ATOM 0 HZ1 LYS A 72 -9.086 -20.655 18.237 1.00 74.41 H new ATOM 0 HZ2 LYS A 72 -8.896 -19.145 18.991 1.00 74.41 H new ATOM 0 HZ3 LYS A 72 -9.696 -20.405 19.801 1.00 74.41 H new ATOM 1164 N ALA A 73 -13.847 -15.685 21.513 1.00 12.41 N ATOM 1165 CA ALA A 73 -13.112 -14.978 22.541 1.00 51.44 C ATOM 1166 C ALA A 73 -13.022 -15.720 23.838 1.00 14.41 C ATOM 1167 O ALA A 73 -11.952 -15.765 24.420 1.00 53.53 O ATOM 1168 CB ALA A 73 -13.772 -13.626 22.881 1.00 34.13 C ATOM 0 H ALA A 73 -14.595 -15.111 21.124 1.00 12.41 H new ATOM 0 HA ALA A 73 -12.117 -14.856 22.113 1.00 51.44 H new ATOM 0 HB1 ALA A 73 -13.193 -13.123 23.656 1.00 34.13 H new ATOM 0 HB2 ALA A 73 -13.803 -13.001 21.988 1.00 34.13 H new ATOM 0 HB3 ALA A 73 -14.787 -13.797 23.239 1.00 34.13 H new ATOM 1174 N MET A 74 -14.101 -16.370 24.319 1.00 54.23 N ATOM 1175 CA MET A 74 -14.073 -17.016 25.621 1.00 43.54 C ATOM 1176 C MET A 74 -13.011 -18.110 25.720 1.00 61.44 C ATOM 1177 O MET A 74 -12.345 -18.247 26.743 1.00 21.53 O ATOM 1178 CB MET A 74 -15.449 -17.623 25.992 1.00 75.22 C ATOM 1179 CG MET A 74 -16.538 -16.564 26.242 1.00 75.03 C ATOM 1180 SD MET A 74 -18.147 -17.276 26.697 1.00 62.34 S ATOM 1181 CE MET A 74 -18.948 -15.675 27.001 1.00 63.11 C ATOM 0 H MET A 74 -14.988 -16.454 23.822 1.00 54.23 H new ATOM 0 HA MET A 74 -13.820 -16.225 26.326 1.00 43.54 H new ATOM 0 HB2 MET A 74 -15.774 -18.285 25.189 1.00 75.22 H new ATOM 0 HB3 MET A 74 -15.338 -18.237 26.886 1.00 75.22 H new ATOM 0 HG2 MET A 74 -16.208 -15.895 27.036 1.00 75.03 H new ATOM 0 HG3 MET A 74 -16.658 -15.958 25.344 1.00 75.03 H new ATOM 0 HE1 MET A 74 -19.982 -15.837 27.305 1.00 63.11 H new ATOM 0 HE2 MET A 74 -18.416 -15.146 27.792 1.00 63.11 H new ATOM 0 HE3 MET A 74 -18.928 -15.079 26.089 1.00 63.11 H new ATOM 1191 N GLU A 75 -12.821 -18.895 24.637 1.00 73.43 N ATOM 1192 CA GLU A 75 -11.795 -19.930 24.573 1.00 14.10 C ATOM 1193 C GLU A 75 -10.395 -19.375 24.343 1.00 53.45 C ATOM 1194 O GLU A 75 -9.435 -19.747 25.014 1.00 31.41 O ATOM 1195 CB GLU A 75 -12.117 -20.959 23.459 1.00 50.42 C ATOM 1196 CG GLU A 75 -13.380 -21.802 23.767 1.00 62.44 C ATOM 1197 CD GLU A 75 -13.694 -22.811 22.662 1.00 25.32 C ATOM 1198 OE1 GLU A 75 -12.857 -23.725 22.444 1.00 25.21 O ATOM 1199 OE2 GLU A 75 -14.779 -22.678 22.040 1.00 22.25 O ATOM 0 H GLU A 75 -13.381 -18.820 23.788 1.00 73.43 H new ATOM 0 HA GLU A 75 -11.804 -20.415 25.549 1.00 14.10 H new ATOM 0 HB2 GLU A 75 -12.258 -20.433 22.515 1.00 50.42 H new ATOM 0 HB3 GLU A 75 -11.264 -21.625 23.328 1.00 50.42 H new ATOM 0 HG2 GLU A 75 -13.238 -22.332 24.709 1.00 62.44 H new ATOM 0 HG3 GLU A 75 -14.233 -21.137 23.901 1.00 62.44 H new ATOM 1206 N PHE A 76 -10.282 -18.422 23.398 1.00 44.13 N ATOM 1207 CA PHE A 76 -9.094 -17.675 23.030 1.00 51.40 C ATOM 1208 C PHE A 76 -8.501 -16.853 24.156 1.00 74.11 C ATOM 1209 O PHE A 76 -7.293 -16.865 24.374 1.00 32.43 O ATOM 1210 CB PHE A 76 -9.454 -16.835 21.778 1.00 33.10 C ATOM 1211 CG PHE A 76 -8.455 -15.786 21.388 1.00 20.02 C ATOM 1212 CD1 PHE A 76 -7.140 -16.064 20.996 1.00 32.11 C ATOM 1213 CD2 PHE A 76 -8.885 -14.457 21.414 1.00 14.15 C ATOM 1214 CE1 PHE A 76 -6.291 -15.016 20.617 1.00 12.52 C ATOM 1215 CE2 PHE A 76 -8.011 -13.410 21.137 1.00 24.30 C ATOM 1216 CZ PHE A 76 -6.706 -13.688 20.730 1.00 11.33 C ATOM 0 H PHE A 76 -11.088 -18.144 22.838 1.00 44.13 H new ATOM 0 HA PHE A 76 -8.288 -18.371 22.799 1.00 51.40 H new ATOM 0 HB2 PHE A 76 -9.589 -17.513 20.935 1.00 33.10 H new ATOM 0 HB3 PHE A 76 -10.414 -16.349 21.953 1.00 33.10 H new ATOM 0 HD1 PHE A 76 -6.781 -17.083 20.986 1.00 32.11 H new ATOM 0 HD2 PHE A 76 -9.915 -14.238 21.654 1.00 14.15 H new ATOM 0 HE1 PHE A 76 -5.306 -15.238 20.234 1.00 12.52 H new ATOM 0 HE2 PHE A 76 -8.342 -12.387 21.237 1.00 24.30 H new ATOM 0 HZ PHE A 76 -6.023 -12.883 20.504 1.00 11.33 H new ATOM 1226 N ALA A 77 -9.340 -16.143 24.927 1.00 10.21 N ATOM 1227 CA ALA A 77 -8.927 -15.329 26.045 1.00 35.41 C ATOM 1228 C ALA A 77 -8.168 -16.114 27.108 1.00 34.34 C ATOM 1229 O ALA A 77 -7.139 -15.663 27.613 1.00 24.34 O ATOM 1230 CB ALA A 77 -10.197 -14.693 26.630 1.00 22.31 C ATOM 0 H ALA A 77 -10.348 -16.129 24.773 1.00 10.21 H new ATOM 0 HA ALA A 77 -8.225 -14.570 25.698 1.00 35.41 H new ATOM 0 HB1 ALA A 77 -9.931 -14.066 27.481 1.00 22.31 H new ATOM 0 HB2 ALA A 77 -10.683 -14.083 25.868 1.00 22.31 H new ATOM 0 HB3 ALA A 77 -10.880 -15.478 26.956 1.00 22.31 H new ATOM 1236 N MET A 78 -8.634 -17.348 27.415 1.00 71.42 N ATOM 1237 CA MET A 78 -7.957 -18.279 28.298 1.00 30.14 C ATOM 1238 C MET A 78 -6.597 -18.739 27.796 1.00 61.44 C ATOM 1239 O MET A 78 -5.664 -18.888 28.584 1.00 11.33 O ATOM 1240 CB MET A 78 -8.851 -19.495 28.642 1.00 13.43 C ATOM 1241 CG MET A 78 -10.038 -19.105 29.552 1.00 23.45 C ATOM 1242 SD MET A 78 -11.018 -20.517 30.163 1.00 52.21 S ATOM 1243 CE MET A 78 -11.738 -21.072 28.593 1.00 20.40 C ATOM 0 H MET A 78 -9.509 -17.714 27.040 1.00 71.42 H new ATOM 0 HA MET A 78 -7.766 -17.712 29.209 1.00 30.14 H new ATOM 0 HB2 MET A 78 -9.231 -19.937 27.721 1.00 13.43 H new ATOM 0 HB3 MET A 78 -8.250 -20.258 29.138 1.00 13.43 H new ATOM 0 HG2 MET A 78 -9.656 -18.547 30.407 1.00 23.45 H new ATOM 0 HG3 MET A 78 -10.696 -18.433 29.001 1.00 23.45 H new ATOM 0 HE1 MET A 78 -12.821 -21.140 28.694 1.00 20.40 H new ATOM 0 HE2 MET A 78 -11.491 -20.358 27.807 1.00 20.40 H new ATOM 0 HE3 MET A 78 -11.335 -22.051 28.334 1.00 20.40 H new ATOM 1253 N LYS A 79 -6.418 -18.922 26.463 1.00 13.52 N ATOM 1254 CA LYS A 79 -5.129 -19.263 25.860 1.00 64.22 C ATOM 1255 C LYS A 79 -4.068 -18.187 26.114 1.00 70.44 C ATOM 1256 O LYS A 79 -2.875 -18.474 26.182 1.00 40.34 O ATOM 1257 CB LYS A 79 -5.228 -19.461 24.321 1.00 65.14 C ATOM 1258 CG LYS A 79 -6.083 -20.663 23.889 1.00 21.44 C ATOM 1259 CD LYS A 79 -6.148 -20.833 22.364 1.00 14.42 C ATOM 1260 CE LYS A 79 -7.118 -21.921 21.891 1.00 42.54 C ATOM 1261 NZ LYS A 79 -6.647 -23.253 22.316 1.00 23.05 N ATOM 0 H LYS A 79 -7.174 -18.834 25.784 1.00 13.52 H new ATOM 0 HA LYS A 79 -4.837 -20.199 26.337 1.00 64.22 H new ATOM 0 HB2 LYS A 79 -5.644 -18.557 23.877 1.00 65.14 H new ATOM 0 HB3 LYS A 79 -4.223 -19.582 23.917 1.00 65.14 H new ATOM 0 HG2 LYS A 79 -5.675 -21.571 24.334 1.00 21.44 H new ATOM 0 HG3 LYS A 79 -7.094 -20.543 24.280 1.00 21.44 H new ATOM 0 HD2 LYS A 79 -6.440 -19.883 21.916 1.00 14.42 H new ATOM 0 HD3 LYS A 79 -5.150 -21.067 21.993 1.00 14.42 H new ATOM 0 HE2 LYS A 79 -8.111 -21.733 22.298 1.00 42.54 H new ATOM 0 HE3 LYS A 79 -7.208 -21.890 20.805 1.00 42.54 H new ATOM 0 HZ1 LYS A 79 -7.316 -23.979 21.987 1.00 23.05 H new ATOM 0 HZ2 LYS A 79 -5.709 -23.436 21.907 1.00 23.05 H new ATOM 0 HZ3 LYS A 79 -6.584 -23.284 23.354 1.00 23.05 H new ATOM 1275 N HIS A 80 -4.502 -16.917 26.276 1.00 41.14 N ATOM 1276 CA HIS A 80 -3.660 -15.760 26.515 1.00 24.04 C ATOM 1277 C HIS A 80 -3.495 -15.405 27.977 1.00 62.42 C ATOM 1278 O HIS A 80 -2.968 -14.345 28.309 1.00 10.43 O ATOM 1279 CB HIS A 80 -4.191 -14.554 25.729 1.00 72.11 C ATOM 1280 CG HIS A 80 -3.956 -14.727 24.255 1.00 44.13 C ATOM 1281 ND1 HIS A 80 -4.217 -13.747 23.340 1.00 13.34 N ATOM 1282 CD2 HIS A 80 -3.522 -15.806 23.563 1.00 40.10 C ATOM 1283 CE1 HIS A 80 -3.929 -14.208 22.137 1.00 72.53 C ATOM 1284 NE2 HIS A 80 -3.529 -15.463 22.241 1.00 42.22 N ATOM 0 H HIS A 80 -5.493 -16.678 26.239 1.00 41.14 H new ATOM 0 HA HIS A 80 -2.665 -16.032 26.163 1.00 24.04 H new ATOM 0 HB2 HIS A 80 -5.257 -14.432 25.919 1.00 72.11 H new ATOM 0 HB3 HIS A 80 -3.700 -13.645 26.075 1.00 72.11 H new ATOM 0 HD2 HIS A 80 -3.226 -16.758 23.978 1.00 40.10 H new ATOM 0 HE1 HIS A 80 -4.008 -13.649 21.216 1.00 72.53 H new ATOM 0 HE2 HIS A 80 -3.269 -16.072 21.465 1.00 42.22 H new ATOM 1293 N GLY A 81 -3.897 -16.301 28.904 1.00 63.11 N ATOM 1294 CA GLY A 81 -3.547 -16.160 30.310 1.00 54.23 C ATOM 1295 C GLY A 81 -4.584 -15.469 31.137 1.00 24.21 C ATOM 1296 O GLY A 81 -4.412 -15.320 32.344 1.00 44.11 O ATOM 0 H GLY A 81 -4.462 -17.123 28.692 1.00 63.11 H new ATOM 0 HA2 GLY A 81 -3.366 -17.150 30.728 1.00 54.23 H new ATOM 0 HA3 GLY A 81 -2.611 -15.606 30.385 1.00 54.23 H new ATOM 1300 N ALA A 82 -5.722 -15.061 30.535 1.00 4.13 N ATOM 1301 CA ALA A 82 -6.900 -14.736 31.318 1.00 11.32 C ATOM 1302 C ALA A 82 -7.478 -15.992 31.979 1.00 2.52 C ATOM 1303 O ALA A 82 -7.474 -17.075 31.401 1.00 71.01 O ATOM 1304 CB ALA A 82 -7.978 -14.084 30.428 1.00 74.30 C ATOM 0 H ALA A 82 -5.835 -14.955 29.527 1.00 4.13 H new ATOM 0 HA ALA A 82 -6.600 -14.032 32.095 1.00 11.32 H new ATOM 0 HB1 ALA A 82 -8.854 -13.847 31.032 1.00 74.30 H new ATOM 0 HB2 ALA A 82 -7.582 -13.169 29.988 1.00 74.30 H new ATOM 0 HB3 ALA A 82 -8.261 -14.775 29.634 1.00 74.30 H new ATOM 1310 N ASP A 83 -8.009 -15.900 33.222 1.00 45.11 N ATOM 1311 CA ASP A 83 -8.767 -17.003 33.788 1.00 2.22 C ATOM 1312 C ASP A 83 -10.197 -16.915 33.272 1.00 71.40 C ATOM 1313 O ASP A 83 -10.562 -15.958 32.595 1.00 1.43 O ATOM 1314 CB ASP A 83 -8.740 -17.023 35.337 1.00 21.30 C ATOM 1315 CG ASP A 83 -7.313 -17.222 35.841 1.00 24.13 C ATOM 1316 OD1 ASP A 83 -6.720 -18.281 35.512 1.00 42.12 O ATOM 1317 OD2 ASP A 83 -6.823 -16.324 36.573 1.00 2.24 O ATOM 0 H ASP A 83 -7.921 -15.085 33.828 1.00 45.11 H new ATOM 0 HA ASP A 83 -8.302 -17.937 33.473 1.00 2.22 H new ATOM 0 HB2 ASP A 83 -9.143 -16.088 35.726 1.00 21.30 H new ATOM 0 HB3 ASP A 83 -9.379 -17.825 35.708 1.00 21.30 H new ATOM 1322 N GLU A 84 -11.061 -17.917 33.558 1.00 14.12 N ATOM 1323 CA GLU A 84 -12.390 -17.986 32.963 1.00 24.54 C ATOM 1324 C GLU A 84 -13.283 -16.827 33.376 1.00 33.35 C ATOM 1325 O GLU A 84 -14.103 -16.341 32.601 1.00 45.11 O ATOM 1326 CB GLU A 84 -13.085 -19.346 33.261 1.00 71.32 C ATOM 1327 CG GLU A 84 -13.406 -19.629 34.748 1.00 3.44 C ATOM 1328 CD GLU A 84 -14.035 -21.010 34.953 1.00 42.10 C ATOM 1329 OE1 GLU A 84 -15.208 -21.060 35.403 1.00 51.04 O ATOM 1330 OE2 GLU A 84 -13.333 -22.017 34.677 1.00 71.42 O ATOM 0 H GLU A 84 -10.849 -18.682 34.198 1.00 14.12 H new ATOM 0 HA GLU A 84 -12.239 -17.907 31.886 1.00 24.54 H new ATOM 0 HB2 GLU A 84 -14.015 -19.389 32.694 1.00 71.32 H new ATOM 0 HB3 GLU A 84 -12.447 -20.147 32.888 1.00 71.32 H new ATOM 0 HG2 GLU A 84 -12.490 -19.558 35.335 1.00 3.44 H new ATOM 0 HG3 GLU A 84 -14.085 -18.863 35.123 1.00 3.44 H new ATOM 1337 N ALA A 85 -13.080 -16.334 34.617 1.00 3.01 N ATOM 1338 CA ALA A 85 -13.726 -15.171 35.180 1.00 42.04 C ATOM 1339 C ALA A 85 -13.290 -13.885 34.497 1.00 52.41 C ATOM 1340 O ALA A 85 -14.101 -13.043 34.128 1.00 23.41 O ATOM 1341 CB ALA A 85 -13.410 -15.125 36.686 1.00 63.43 C ATOM 0 H ALA A 85 -12.427 -16.770 35.268 1.00 3.01 H new ATOM 0 HA ALA A 85 -14.801 -15.252 35.021 1.00 42.04 H new ATOM 0 HB1 ALA A 85 -13.889 -14.253 37.132 1.00 63.43 H new ATOM 0 HB2 ALA A 85 -13.786 -16.030 37.164 1.00 63.43 H new ATOM 0 HB3 ALA A 85 -12.331 -15.060 36.830 1.00 63.43 H new ATOM 1347 N MET A 86 -11.971 -13.727 34.269 1.00 44.41 N ATOM 1348 CA MET A 86 -11.360 -12.638 33.547 1.00 73.44 C ATOM 1349 C MET A 86 -11.764 -12.596 32.086 1.00 22.34 C ATOM 1350 O MET A 86 -12.009 -11.533 31.520 1.00 32.31 O ATOM 1351 CB MET A 86 -9.833 -12.734 33.618 1.00 73.24 C ATOM 1352 CG MET A 86 -9.198 -12.465 34.998 1.00 61.41 C ATOM 1353 SD MET A 86 -9.600 -13.548 36.399 1.00 70.11 S ATOM 1354 CE MET A 86 -8.495 -12.682 37.548 1.00 52.32 C ATOM 0 H MET A 86 -11.284 -14.400 34.609 1.00 44.41 H new ATOM 0 HA MET A 86 -11.714 -11.726 34.028 1.00 73.44 H new ATOM 0 HB2 MET A 86 -9.537 -13.731 33.293 1.00 73.24 H new ATOM 0 HB3 MET A 86 -9.411 -12.027 32.903 1.00 73.24 H new ATOM 0 HG2 MET A 86 -8.116 -12.488 34.869 1.00 61.41 H new ATOM 0 HG3 MET A 86 -9.463 -11.448 35.286 1.00 61.41 H new ATOM 0 HE1 MET A 86 -8.545 -13.157 38.528 1.00 52.32 H new ATOM 0 HE2 MET A 86 -7.472 -12.728 37.174 1.00 52.32 H new ATOM 0 HE3 MET A 86 -8.803 -11.640 37.633 1.00 52.32 H new ATOM 1364 N ALA A 87 -11.840 -13.777 31.442 1.00 73.32 N ATOM 1365 CA ALA A 87 -12.272 -13.931 30.068 1.00 74.12 C ATOM 1366 C ALA A 87 -13.690 -13.427 29.838 1.00 54.32 C ATOM 1367 O ALA A 87 -13.939 -12.660 28.910 1.00 44.33 O ATOM 1368 CB ALA A 87 -12.192 -15.421 29.676 1.00 44.04 C ATOM 0 H ALA A 87 -11.594 -14.662 31.886 1.00 73.32 H new ATOM 0 HA ALA A 87 -11.609 -13.328 29.448 1.00 74.12 H new ATOM 0 HB1 ALA A 87 -12.516 -15.543 28.642 1.00 44.04 H new ATOM 0 HB2 ALA A 87 -11.164 -15.769 29.778 1.00 44.04 H new ATOM 0 HB3 ALA A 87 -12.839 -16.005 30.331 1.00 44.04 H new ATOM 1374 N LYS A 88 -14.639 -13.799 30.729 1.00 20.52 N ATOM 1375 CA LYS A 88 -16.012 -13.324 30.688 1.00 51.45 C ATOM 1376 C LYS A 88 -16.125 -11.885 31.155 1.00 71.34 C ATOM 1377 O LYS A 88 -16.981 -11.143 30.684 1.00 63.00 O ATOM 1378 CB LYS A 88 -16.996 -14.233 31.486 1.00 64.41 C ATOM 1379 CG LYS A 88 -16.811 -14.289 33.012 1.00 63.32 C ATOM 1380 CD LYS A 88 -17.821 -15.219 33.708 1.00 53.23 C ATOM 1381 CE LYS A 88 -17.704 -15.248 35.232 1.00 64.22 C ATOM 1382 NZ LYS A 88 -18.808 -16.049 35.798 1.00 32.42 N ATOM 0 H LYS A 88 -14.455 -14.444 31.498 1.00 20.52 H new ATOM 0 HA LYS A 88 -16.308 -13.372 29.640 1.00 51.45 H new ATOM 0 HB2 LYS A 88 -18.012 -13.896 31.280 1.00 64.41 H new ATOM 0 HB3 LYS A 88 -16.912 -15.248 31.097 1.00 64.41 H new ATOM 0 HG2 LYS A 88 -15.800 -14.627 33.237 1.00 63.32 H new ATOM 0 HG3 LYS A 88 -16.910 -13.284 33.421 1.00 63.32 H new ATOM 0 HD2 LYS A 88 -18.830 -14.907 33.439 1.00 53.23 H new ATOM 0 HD3 LYS A 88 -17.688 -16.231 33.326 1.00 53.23 H new ATOM 0 HE2 LYS A 88 -16.745 -15.674 35.525 1.00 64.22 H new ATOM 0 HE3 LYS A 88 -17.737 -14.233 35.629 1.00 64.22 H new ATOM 0 HZ1 LYS A 88 -18.727 -16.068 36.835 1.00 32.42 H new ATOM 0 HZ2 LYS A 88 -19.718 -15.624 35.529 1.00 32.42 H new ATOM 0 HZ3 LYS A 88 -18.757 -17.020 35.429 1.00 32.42 H new ATOM 1396 N GLN A 89 -15.219 -11.429 32.050 1.00 31.01 N ATOM 1397 CA GLN A 89 -15.096 -10.049 32.469 1.00 5.23 C ATOM 1398 C GLN A 89 -14.772 -9.072 31.368 1.00 44.33 C ATOM 1399 O GLN A 89 -15.402 -8.020 31.316 1.00 3.01 O ATOM 1400 CB GLN A 89 -14.072 -9.895 33.617 1.00 23.34 C ATOM 1401 CG GLN A 89 -13.824 -8.439 34.064 1.00 21.31 C ATOM 1402 CD GLN A 89 -13.152 -8.349 35.433 1.00 31.31 C ATOM 1403 OE1 GLN A 89 -13.673 -7.741 36.369 1.00 33.40 O ATOM 1404 NE2 GLN A 89 -11.954 -8.970 35.557 1.00 42.10 N ATOM 0 H GLN A 89 -14.542 -12.043 32.503 1.00 31.01 H new ATOM 0 HA GLN A 89 -16.095 -9.790 32.819 1.00 5.23 H new ATOM 0 HB2 GLN A 89 -14.418 -10.471 34.475 1.00 23.34 H new ATOM 0 HB3 GLN A 89 -13.124 -10.331 33.302 1.00 23.34 H new ATOM 0 HG2 GLN A 89 -13.200 -7.937 33.324 1.00 21.31 H new ATOM 0 HG3 GLN A 89 -14.774 -7.906 34.094 1.00 21.31 H new ATOM 0 HE21 GLN A 89 -11.551 -9.465 34.761 1.00 42.10 H new ATOM 0 HE22 GLN A 89 -11.455 -8.943 36.446 1.00 42.10 H new ATOM 1413 N LEU A 90 -13.845 -9.358 30.423 1.00 21.03 N ATOM 1414 CA LEU A 90 -13.589 -8.465 29.330 1.00 42.14 C ATOM 1415 C LEU A 90 -14.807 -8.290 28.429 1.00 2.31 C ATOM 1416 O LEU A 90 -15.172 -7.182 28.037 1.00 32.30 O ATOM 1417 CB LEU A 90 -12.373 -8.988 28.544 1.00 74.53 C ATOM 1418 CG LEU A 90 -10.994 -8.966 29.256 1.00 30.34 C ATOM 1419 CD1 LEU A 90 -9.899 -9.443 28.281 1.00 72.32 C ATOM 1420 CD2 LEU A 90 -10.589 -7.625 29.898 1.00 41.41 C ATOM 0 H LEU A 90 -13.277 -10.205 30.419 1.00 21.03 H new ATOM 0 HA LEU A 90 -13.370 -7.474 29.727 1.00 42.14 H new ATOM 0 HB2 LEU A 90 -12.582 -10.016 28.247 1.00 74.53 H new ATOM 0 HB3 LEU A 90 -12.288 -8.403 27.628 1.00 74.53 H new ATOM 0 HG LEU A 90 -11.100 -9.649 30.099 1.00 30.34 H new ATOM 0 HD11 LEU A 90 -8.932 -9.426 28.784 1.00 72.32 H new ATOM 0 HD12 LEU A 90 -10.121 -10.459 27.954 1.00 72.32 H new ATOM 0 HD13 LEU A 90 -9.869 -8.781 27.415 1.00 72.32 H new ATOM 0 HD21 LEU A 90 -9.610 -7.727 30.366 1.00 41.41 H new ATOM 0 HD22 LEU A 90 -10.546 -6.852 29.130 1.00 41.41 H new ATOM 0 HD23 LEU A 90 -11.324 -7.346 30.653 1.00 41.41 H new ATOM 1432 N LEU A 91 -15.522 -9.392 28.147 1.00 11.42 N ATOM 1433 CA LEU A 91 -16.786 -9.368 27.440 1.00 42.03 C ATOM 1434 C LEU A 91 -17.875 -8.618 28.233 1.00 31.40 C ATOM 1435 O LEU A 91 -18.643 -7.841 27.667 1.00 61.50 O ATOM 1436 CB LEU A 91 -17.160 -10.835 27.095 1.00 64.20 C ATOM 1437 CG LEU A 91 -16.211 -11.472 26.043 1.00 2.34 C ATOM 1438 CD1 LEU A 91 -16.038 -12.983 26.233 1.00 45.21 C ATOM 1439 CD2 LEU A 91 -16.728 -11.234 24.622 1.00 12.11 C ATOM 0 H LEU A 91 -15.223 -10.330 28.413 1.00 11.42 H new ATOM 0 HA LEU A 91 -16.697 -8.803 26.512 1.00 42.03 H new ATOM 0 HB2 LEU A 91 -17.138 -11.434 28.006 1.00 64.20 H new ATOM 0 HB3 LEU A 91 -18.183 -10.865 26.719 1.00 64.20 H new ATOM 0 HG LEU A 91 -15.246 -10.987 26.190 1.00 2.34 H new ATOM 0 HD11 LEU A 91 -15.365 -13.371 25.469 1.00 45.21 H new ATOM 0 HD12 LEU A 91 -15.619 -13.180 27.220 1.00 45.21 H new ATOM 0 HD13 LEU A 91 -17.007 -13.474 26.146 1.00 45.21 H new ATOM 0 HD21 LEU A 91 -16.045 -11.690 23.905 1.00 12.11 H new ATOM 0 HD22 LEU A 91 -17.717 -11.680 24.515 1.00 12.11 H new ATOM 0 HD23 LEU A 91 -16.791 -10.162 24.432 1.00 12.11 H new ATOM 1451 N ASP A 92 -17.940 -8.796 29.579 1.00 34.31 N ATOM 1452 CA ASP A 92 -18.846 -8.094 30.478 1.00 74.11 C ATOM 1453 C ASP A 92 -18.567 -6.588 30.545 1.00 61.34 C ATOM 1454 O ASP A 92 -19.504 -5.795 30.501 1.00 34.10 O ATOM 1455 CB ASP A 92 -18.785 -8.737 31.894 1.00 15.11 C ATOM 1456 CG ASP A 92 -19.856 -8.215 32.851 1.00 60.25 C ATOM 1457 OD1 ASP A 92 -21.060 -8.403 32.539 1.00 15.31 O ATOM 1458 OD2 ASP A 92 -19.473 -7.645 33.904 1.00 50.53 O ATOM 0 H ASP A 92 -17.336 -9.457 30.067 1.00 34.31 H new ATOM 0 HA ASP A 92 -19.854 -8.198 30.076 1.00 74.11 H new ATOM 0 HB2 ASP A 92 -18.891 -9.818 31.798 1.00 15.11 H new ATOM 0 HB3 ASP A 92 -17.802 -8.551 32.326 1.00 15.11 H new ATOM 1463 N ILE A 93 -17.278 -6.156 30.614 1.00 74.41 N ATOM 1464 CA ILE A 93 -16.872 -4.745 30.612 1.00 22.13 C ATOM 1465 C ILE A 93 -17.346 -4.075 29.349 1.00 43.13 C ATOM 1466 O ILE A 93 -17.910 -2.985 29.393 1.00 2.42 O ATOM 1467 CB ILE A 93 -15.354 -4.520 30.665 1.00 64.01 C ATOM 1468 CG1 ILE A 93 -14.706 -4.901 32.013 1.00 50.43 C ATOM 1469 CG2 ILE A 93 -14.991 -3.051 30.338 1.00 22.14 C ATOM 1470 CD1 ILE A 93 -13.166 -4.987 31.967 1.00 14.25 C ATOM 0 H ILE A 93 -16.488 -6.798 30.673 1.00 74.41 H new ATOM 0 HA ILE A 93 -17.319 -4.329 31.515 1.00 22.13 H new ATOM 0 HB ILE A 93 -14.950 -5.191 29.907 1.00 64.01 H new ATOM 0 HG12 ILE A 93 -14.996 -4.167 32.764 1.00 50.43 H new ATOM 0 HG13 ILE A 93 -15.104 -5.863 32.337 1.00 50.43 H new ATOM 0 HG21 ILE A 93 -13.909 -2.925 30.384 1.00 22.14 H new ATOM 0 HG22 ILE A 93 -15.343 -2.803 29.337 1.00 22.14 H new ATOM 0 HG23 ILE A 93 -15.465 -2.389 31.063 1.00 22.14 H new ATOM 0 HD11 ILE A 93 -12.787 -5.259 32.952 1.00 14.25 H new ATOM 0 HD12 ILE A 93 -12.865 -5.742 31.241 1.00 14.25 H new ATOM 0 HD13 ILE A 93 -12.756 -4.020 31.675 1.00 14.25 H new ATOM 1482 N LYS A 94 -17.162 -4.736 28.186 1.00 12.41 N ATOM 1483 CA LYS A 94 -17.560 -4.195 26.911 1.00 13.23 C ATOM 1484 C LYS A 94 -19.027 -3.915 26.865 1.00 23.53 C ATOM 1485 O LYS A 94 -19.446 -2.781 26.668 1.00 53.23 O ATOM 1486 CB LYS A 94 -17.256 -5.221 25.787 1.00 12.53 C ATOM 1487 CG LYS A 94 -17.821 -4.788 24.433 1.00 72.21 C ATOM 1488 CD LYS A 94 -17.726 -5.788 23.280 1.00 20.22 C ATOM 1489 CE LYS A 94 -18.702 -5.270 22.236 1.00 43.21 C ATOM 1490 NZ LYS A 94 -18.505 -5.894 20.921 1.00 24.43 N ATOM 0 H LYS A 94 -16.731 -5.659 28.127 1.00 12.41 H new ATOM 0 HA LYS A 94 -17.004 -3.268 26.769 1.00 13.23 H new ATOM 0 HB2 LYS A 94 -16.177 -5.353 25.702 1.00 12.53 H new ATOM 0 HB3 LYS A 94 -17.676 -6.189 26.060 1.00 12.53 H new ATOM 0 HG2 LYS A 94 -18.872 -4.533 24.572 1.00 72.21 H new ATOM 0 HG3 LYS A 94 -17.309 -3.875 24.130 1.00 72.21 H new ATOM 0 HD2 LYS A 94 -16.712 -5.839 22.883 1.00 20.22 H new ATOM 0 HD3 LYS A 94 -17.992 -6.794 23.606 1.00 20.22 H new ATOM 0 HE2 LYS A 94 -19.722 -5.456 22.573 1.00 43.21 H new ATOM 0 HE3 LYS A 94 -18.589 -4.190 22.142 1.00 43.21 H new ATOM 0 HZ1 LYS A 94 -19.149 -5.458 20.230 1.00 24.43 H new ATOM 0 HZ2 LYS A 94 -17.521 -5.754 20.614 1.00 24.43 H new ATOM 0 HZ3 LYS A 94 -18.705 -6.912 20.986 1.00 24.43 H new ATOM 1504 N HIS A 95 -19.870 -4.915 27.144 1.00 11.35 N ATOM 1505 CA HIS A 95 -21.288 -4.718 27.003 1.00 3.42 C ATOM 1506 C HIS A 95 -21.846 -3.795 28.076 1.00 62.15 C ATOM 1507 O HIS A 95 -22.845 -3.114 27.857 1.00 22.31 O ATOM 1508 CB HIS A 95 -21.990 -6.081 26.966 1.00 0.12 C ATOM 1509 CG HIS A 95 -21.761 -6.742 25.634 1.00 64.22 C ATOM 1510 ND1 HIS A 95 -22.505 -6.369 24.548 1.00 43.01 N ATOM 1511 CD2 HIS A 95 -20.786 -7.561 25.178 1.00 31.54 C ATOM 1512 CE1 HIS A 95 -22.007 -6.945 23.472 1.00 14.05 C ATOM 1513 NE2 HIS A 95 -20.961 -7.668 23.824 1.00 41.23 N ATOM 0 H HIS A 95 -19.589 -5.843 27.461 1.00 11.35 H new ATOM 0 HA HIS A 95 -21.483 -4.210 26.059 1.00 3.42 H new ATOM 0 HB2 HIS A 95 -21.611 -6.716 27.766 1.00 0.12 H new ATOM 0 HB3 HIS A 95 -23.059 -5.954 27.139 1.00 0.12 H new ATOM 0 HD2 HIS A 95 -20.018 -8.039 25.768 1.00 31.54 H new ATOM 0 HE1 HIS A 95 -22.392 -6.842 22.468 1.00 14.05 H new ATOM 0 HE2 HIS A 95 -20.378 -8.217 23.192 1.00 41.23 H new ATOM 1522 N SER A 96 -21.167 -3.714 29.250 1.00 30.15 N ATOM 1523 CA SER A 96 -21.466 -2.734 30.291 1.00 31.35 C ATOM 1524 C SER A 96 -21.186 -1.313 29.852 1.00 44.42 C ATOM 1525 O SER A 96 -21.936 -0.379 30.107 1.00 42.10 O ATOM 1526 CB SER A 96 -20.643 -3.027 31.566 1.00 73.00 C ATOM 1527 OG SER A 96 -20.992 -2.192 32.671 1.00 55.44 O ATOM 0 H SER A 96 -20.395 -4.337 29.488 1.00 30.15 H new ATOM 0 HA SER A 96 -22.533 -2.825 30.497 1.00 31.35 H new ATOM 0 HB2 SER A 96 -20.785 -4.070 31.849 1.00 73.00 H new ATOM 0 HB3 SER A 96 -19.584 -2.898 31.343 1.00 73.00 H new ATOM 0 HG SER A 96 -20.439 -2.426 33.446 1.00 55.44 H new ATOM 1533 N CYS A 97 -20.058 -1.114 29.163 1.00 4.04 N ATOM 1534 CA CYS A 97 -19.678 0.147 28.574 1.00 61.54 C ATOM 1535 C CYS A 97 -20.552 0.577 27.420 1.00 3.23 C ATOM 1536 O CYS A 97 -20.833 1.761 27.260 1.00 22.05 O ATOM 1537 CB CYS A 97 -18.188 0.146 28.202 1.00 34.32 C ATOM 1538 SG CYS A 97 -17.072 0.466 29.592 1.00 61.23 S ATOM 0 H CYS A 97 -19.374 -1.854 29.003 1.00 4.04 H new ATOM 0 HA CYS A 97 -19.842 0.904 29.341 1.00 61.54 H new ATOM 0 HB2 CYS A 97 -17.936 -0.820 27.764 1.00 34.32 H new ATOM 0 HB3 CYS A 97 -18.017 0.900 27.433 1.00 34.32 H new ATOM 1543 N GLU A 98 -21.049 -0.374 26.603 1.00 71.22 N ATOM 1544 CA GLU A 98 -21.845 -0.120 25.407 1.00 44.31 C ATOM 1545 C GLU A 98 -23.130 0.617 25.699 1.00 63.43 C ATOM 1546 O GLU A 98 -23.647 1.344 24.858 1.00 75.11 O ATOM 1547 CB GLU A 98 -22.194 -1.452 24.694 1.00 32.33 C ATOM 1548 CG GLU A 98 -20.971 -2.115 24.022 1.00 42.14 C ATOM 1549 CD GLU A 98 -20.643 -1.533 22.645 1.00 74.44 C ATOM 1550 OE1 GLU A 98 -20.343 -0.316 22.556 1.00 4.04 O ATOM 1551 OE2 GLU A 98 -20.696 -2.318 21.662 1.00 22.14 O ATOM 0 H GLU A 98 -20.897 -1.368 26.772 1.00 71.22 H new ATOM 0 HA GLU A 98 -21.230 0.512 24.766 1.00 44.31 H new ATOM 0 HB2 GLU A 98 -22.623 -2.144 25.419 1.00 32.33 H new ATOM 0 HB3 GLU A 98 -22.959 -1.265 23.940 1.00 32.33 H new ATOM 0 HG2 GLU A 98 -20.103 -2.002 24.672 1.00 42.14 H new ATOM 0 HG3 GLU A 98 -21.157 -3.184 23.921 1.00 42.14 H new ATOM 1558 N LYS A 99 -23.680 0.425 26.910 1.00 30.34 N ATOM 1559 CA LYS A 99 -24.929 1.047 27.300 1.00 4.43 C ATOM 1560 C LYS A 99 -24.722 2.441 27.877 1.00 15.20 C ATOM 1561 O LYS A 99 -25.663 3.231 27.929 1.00 4.31 O ATOM 1562 CB LYS A 99 -25.698 0.135 28.296 1.00 34.31 C ATOM 1563 CG LYS A 99 -25.115 0.063 29.715 1.00 61.05 C ATOM 1564 CD LYS A 99 -25.238 -1.296 30.438 1.00 12.44 C ATOM 1565 CE LYS A 99 -26.638 -1.682 30.929 1.00 4.00 C ATOM 1566 NZ LYS A 99 -27.488 -2.159 29.821 1.00 75.12 N ATOM 0 H LYS A 99 -23.265 -0.164 27.632 1.00 30.34 H new ATOM 0 HA LYS A 99 -25.532 1.168 26.400 1.00 4.43 H new ATOM 0 HB2 LYS A 99 -26.727 0.487 28.363 1.00 34.31 H new ATOM 0 HB3 LYS A 99 -25.732 -0.874 27.885 1.00 34.31 H new ATOM 0 HG2 LYS A 99 -24.059 0.329 29.665 1.00 61.05 H new ATOM 0 HG3 LYS A 99 -25.606 0.821 30.325 1.00 61.05 H new ATOM 0 HD2 LYS A 99 -24.886 -2.076 29.762 1.00 12.44 H new ATOM 0 HD3 LYS A 99 -24.565 -1.289 31.295 1.00 12.44 H new ATOM 0 HE2 LYS A 99 -26.557 -2.460 31.688 1.00 4.00 H new ATOM 0 HE3 LYS A 99 -27.108 -0.821 31.405 1.00 4.00 H new ATOM 0 HZ1 LYS A 99 -28.355 -2.584 30.207 1.00 75.12 H new ATOM 0 HZ2 LYS A 99 -27.739 -1.358 29.206 1.00 75.12 H new ATOM 0 HZ3 LYS A 99 -26.970 -2.871 29.268 1.00 75.12 H new ATOM 1580 N VAL A 100 -23.484 2.781 28.332 1.00 41.12 N ATOM 1581 CA VAL A 100 -23.195 4.046 28.983 1.00 34.30 C ATOM 1582 C VAL A 100 -22.542 5.020 28.026 1.00 12.42 C ATOM 1583 O VAL A 100 -22.714 6.232 28.144 1.00 21.35 O ATOM 1584 CB VAL A 100 -22.326 3.898 30.235 1.00 23.34 C ATOM 1585 CG1 VAL A 100 -23.075 2.990 31.217 1.00 2.55 C ATOM 1586 CG2 VAL A 100 -20.923 3.336 29.975 1.00 41.14 C ATOM 0 H VAL A 100 -22.672 2.170 28.247 1.00 41.12 H new ATOM 0 HA VAL A 100 -24.161 4.438 29.301 1.00 34.30 H new ATOM 0 HB VAL A 100 -22.162 4.898 30.637 1.00 23.34 H new ATOM 0 HG11 VAL A 100 -22.481 2.864 32.122 1.00 2.55 H new ATOM 0 HG12 VAL A 100 -24.033 3.442 31.472 1.00 2.55 H new ATOM 0 HG13 VAL A 100 -23.244 2.017 30.756 1.00 2.55 H new ATOM 0 HG21 VAL A 100 -20.379 3.266 30.917 1.00 41.14 H new ATOM 0 HG22 VAL A 100 -21.005 2.345 29.528 1.00 41.14 H new ATOM 0 HG23 VAL A 100 -20.387 3.997 29.295 1.00 41.14 H new ATOM 1596 N ILE A 101 -21.776 4.508 27.040 1.00 43.42 N ATOM 1597 CA ILE A 101 -21.161 5.329 26.008 1.00 42.12 C ATOM 1598 C ILE A 101 -22.127 5.890 24.977 1.00 43.05 C ATOM 1599 O ILE A 101 -23.191 5.342 24.694 1.00 15.22 O ATOM 1600 CB ILE A 101 -20.047 4.631 25.247 1.00 35.34 C ATOM 1601 CG1 ILE A 101 -20.512 3.355 24.510 1.00 63.22 C ATOM 1602 CG2 ILE A 101 -18.867 4.352 26.198 1.00 70.14 C ATOM 1603 CD1 ILE A 101 -20.000 3.302 23.075 1.00 44.31 C ATOM 0 H ILE A 101 -21.574 3.512 26.948 1.00 43.42 H new ATOM 0 HA ILE A 101 -20.754 6.150 26.598 1.00 42.12 H new ATOM 0 HB ILE A 101 -19.716 5.305 24.457 1.00 35.34 H new ATOM 0 HG12 ILE A 101 -20.162 2.476 25.052 1.00 63.22 H new ATOM 0 HG13 ILE A 101 -21.601 3.315 24.507 1.00 63.22 H new ATOM 0 HG21 ILE A 101 -18.069 3.851 25.650 1.00 70.14 H new ATOM 0 HG22 ILE A 101 -18.495 5.293 26.602 1.00 70.14 H new ATOM 0 HG23 ILE A 101 -19.202 3.714 27.016 1.00 70.14 H new ATOM 0 HD11 ILE A 101 -20.352 2.388 22.597 1.00 44.31 H new ATOM 0 HD12 ILE A 101 -20.371 4.166 22.524 1.00 44.31 H new ATOM 0 HD13 ILE A 101 -18.910 3.314 23.077 1.00 44.31 H new ATOM 1615 N THR A 102 -21.733 7.021 24.343 1.00 53.43 N ATOM 1616 CA THR A 102 -22.371 7.496 23.124 1.00 11.41 C ATOM 1617 C THR A 102 -22.136 6.570 21.951 1.00 2.53 C ATOM 1618 O THR A 102 -21.005 6.250 21.586 1.00 43.04 O ATOM 1619 CB THR A 102 -21.973 8.917 22.727 1.00 13.44 C ATOM 1620 OG1 THR A 102 -22.379 9.832 23.734 1.00 32.42 O ATOM 1621 CG2 THR A 102 -22.575 9.361 21.374 1.00 61.43 C ATOM 0 H THR A 102 -20.970 7.614 24.670 1.00 53.43 H new ATOM 0 HA THR A 102 -23.433 7.507 23.370 1.00 11.41 H new ATOM 0 HB THR A 102 -20.888 8.915 22.618 1.00 13.44 H new ATOM 0 HG1 THR A 102 -22.119 10.741 23.474 1.00 32.42 H new ATOM 0 HG21 THR A 102 -22.255 10.378 21.150 1.00 61.43 H new ATOM 0 HG22 THR A 102 -22.232 8.691 20.586 1.00 61.43 H new ATOM 0 HG23 THR A 102 -23.663 9.327 21.431 1.00 61.43 H new ATOM 1629 N ILE A 103 -23.258 6.180 21.319 1.00 13.33 N ATOM 1630 CA ILE A 103 -23.408 5.359 20.159 1.00 15.01 C ATOM 1631 C ILE A 103 -23.924 6.304 19.139 1.00 51.41 C ATOM 1632 O ILE A 103 -24.845 7.080 19.397 1.00 53.42 O ATOM 1633 CB ILE A 103 -24.413 4.233 20.308 1.00 73.22 C ATOM 1634 CG1 ILE A 103 -23.939 3.294 21.435 1.00 2.30 C ATOM 1635 CG2 ILE A 103 -24.725 3.537 18.950 1.00 5.31 C ATOM 1636 CD1 ILE A 103 -24.879 2.122 21.669 1.00 43.44 C ATOM 0 H ILE A 103 -24.168 6.480 21.668 1.00 13.33 H new ATOM 0 HA ILE A 103 -22.462 4.869 19.927 1.00 15.01 H new ATOM 0 HB ILE A 103 -25.383 4.628 20.609 1.00 73.22 H new ATOM 0 HG12 ILE A 103 -22.947 2.914 21.190 1.00 2.30 H new ATOM 0 HG13 ILE A 103 -23.842 3.865 22.359 1.00 2.30 H new ATOM 0 HG21 ILE A 103 -25.449 2.738 19.109 1.00 5.31 H new ATOM 0 HG22 ILE A 103 -25.137 4.267 18.253 1.00 5.31 H new ATOM 0 HG23 ILE A 103 -23.808 3.118 18.537 1.00 5.31 H new ATOM 0 HD11 ILE A 103 -24.490 1.499 22.474 1.00 43.44 H new ATOM 0 HD12 ILE A 103 -25.865 2.496 21.944 1.00 43.44 H new ATOM 0 HD13 ILE A 103 -24.957 1.530 20.757 1.00 43.44 H new ATOM 1648 N VAL A 104 -23.329 6.261 17.949 1.00 3.32 N ATOM 1649 CA VAL A 104 -23.792 7.072 16.869 1.00 14.12 C ATOM 1650 C VAL A 104 -24.360 6.111 15.860 1.00 3.25 C ATOM 1651 O VAL A 104 -23.720 5.145 15.450 1.00 51.24 O ATOM 1652 CB VAL A 104 -22.700 7.819 16.192 1.00 42.11 C ATOM 1653 CG1 VAL A 104 -23.202 8.796 15.169 1.00 13.21 C ATOM 1654 CG2 VAL A 104 -21.750 8.525 17.153 1.00 63.20 C ATOM 0 H VAL A 104 -22.529 5.669 17.727 1.00 3.32 H new ATOM 0 HA VAL A 104 -24.501 7.805 17.254 1.00 14.12 H new ATOM 0 HB VAL A 104 -22.133 7.042 15.678 1.00 42.11 H new ATOM 0 HG11 VAL A 104 -22.357 9.309 14.711 1.00 13.21 H new ATOM 0 HG12 VAL A 104 -23.763 8.263 14.401 1.00 13.21 H new ATOM 0 HG13 VAL A 104 -23.852 9.526 15.651 1.00 13.21 H new ATOM 0 HG21 VAL A 104 -20.980 9.048 16.585 1.00 63.20 H new ATOM 0 HG22 VAL A 104 -22.308 9.243 17.755 1.00 63.20 H new ATOM 0 HG23 VAL A 104 -21.281 7.790 17.807 1.00 63.20 H new ATOM 1664 N ALA A 105 -25.588 6.386 15.413 1.00 60.11 N ATOM 1665 CA ALA A 105 -26.217 5.694 14.315 1.00 2.05 C ATOM 1666 C ALA A 105 -25.491 5.874 12.990 1.00 42.31 C ATOM 1667 O ALA A 105 -25.299 4.933 12.225 1.00 74.41 O ATOM 1668 CB ALA A 105 -27.672 6.169 14.162 1.00 11.31 C ATOM 0 H ALA A 105 -26.175 7.114 15.822 1.00 60.11 H new ATOM 0 HA ALA A 105 -26.179 4.632 14.560 1.00 2.05 H new ATOM 0 HB1 ALA A 105 -28.141 5.642 13.331 1.00 11.31 H new ATOM 0 HB2 ALA A 105 -28.221 5.961 15.080 1.00 11.31 H new ATOM 0 HB3 ALA A 105 -27.686 7.241 13.966 1.00 11.31 H new ATOM 1674 N ASP A 106 -25.063 7.120 12.705 1.00 62.42 N ATOM 1675 CA ASP A 106 -24.371 7.481 11.490 1.00 44.02 C ATOM 1676 C ASP A 106 -22.903 7.095 11.418 1.00 22.54 C ATOM 1677 O ASP A 106 -22.343 6.982 10.331 1.00 54.12 O ATOM 1678 CB ASP A 106 -24.548 9.002 11.216 1.00 33.45 C ATOM 1679 CG ASP A 106 -23.978 10.005 12.214 1.00 71.35 C ATOM 1680 OD1 ASP A 106 -24.752 10.400 13.125 1.00 54.02 O ATOM 1681 OD2 ASP A 106 -22.783 10.369 12.083 1.00 40.54 O ATOM 0 H ASP A 106 -25.201 7.908 13.338 1.00 62.42 H new ATOM 0 HA ASP A 106 -24.842 6.883 10.710 1.00 44.02 H new ATOM 0 HB2 ASP A 106 -24.102 9.215 10.244 1.00 33.45 H new ATOM 0 HB3 ASP A 106 -25.616 9.198 11.127 1.00 33.45 H new ATOM 1686 N ASP A 107 -22.245 6.925 12.577 1.00 20.45 N ATOM 1687 CA ASP A 107 -20.804 6.808 12.638 1.00 12.04 C ATOM 1688 C ASP A 107 -20.428 5.638 13.547 1.00 62.32 C ATOM 1689 O ASP A 107 -20.355 5.850 14.757 1.00 33.04 O ATOM 1690 CB ASP A 107 -20.185 8.125 13.191 1.00 11.43 C ATOM 1691 CG ASP A 107 -18.671 8.143 13.061 1.00 0.44 C ATOM 1692 OD1 ASP A 107 -18.175 8.109 11.907 1.00 22.43 O ATOM 1693 OD2 ASP A 107 -17.995 8.132 14.123 1.00 22.52 O ATOM 0 H ASP A 107 -22.706 6.867 13.485 1.00 20.45 H new ATOM 0 HA ASP A 107 -20.415 6.630 11.636 1.00 12.04 H new ATOM 0 HB2 ASP A 107 -20.605 8.976 12.654 1.00 11.43 H new ATOM 0 HB3 ASP A 107 -20.460 8.242 14.239 1.00 11.43 H new ATOM 1698 N PRO A 108 -20.120 4.426 13.100 1.00 32.11 N ATOM 1699 CA PRO A 108 -19.743 3.334 13.997 1.00 12.30 C ATOM 1700 C PRO A 108 -18.392 3.559 14.661 1.00 1.22 C ATOM 1701 O PRO A 108 -18.051 2.837 15.598 1.00 63.44 O ATOM 1702 CB PRO A 108 -19.727 2.107 13.070 1.00 10.53 C ATOM 1703 CG PRO A 108 -19.395 2.677 11.687 1.00 11.21 C ATOM 1704 CD PRO A 108 -20.142 4.011 11.693 1.00 32.33 C ATOM 0 HA PRO A 108 -20.432 3.230 14.836 1.00 12.30 H new ATOM 0 HB2 PRO A 108 -18.982 1.378 13.389 1.00 10.53 H new ATOM 0 HB3 PRO A 108 -20.691 1.598 13.069 1.00 10.53 H new ATOM 0 HG2 PRO A 108 -18.322 2.813 11.551 1.00 11.21 H new ATOM 0 HG3 PRO A 108 -19.738 2.023 10.885 1.00 11.21 H new ATOM 0 HD2 PRO A 108 -19.652 4.745 11.053 1.00 32.33 H new ATOM 0 HD3 PRO A 108 -21.162 3.898 11.326 1.00 32.33 H new ATOM 1712 N CYS A 109 -17.592 4.529 14.171 1.00 54.10 N ATOM 1713 CA CYS A 109 -16.249 4.795 14.623 1.00 42.24 C ATOM 1714 C CYS A 109 -16.248 5.395 16.024 1.00 32.35 C ATOM 1715 O CYS A 109 -15.525 4.938 16.906 1.00 41.43 O ATOM 1716 CB CYS A 109 -15.541 5.731 13.615 1.00 20.12 C ATOM 1717 SG CYS A 109 -15.470 5.004 11.939 1.00 64.42 S ATOM 0 H CYS A 109 -17.892 5.158 13.426 1.00 54.10 H new ATOM 0 HA CYS A 109 -15.702 3.854 14.676 1.00 42.24 H new ATOM 0 HB2 CYS A 109 -16.067 6.685 13.575 1.00 20.12 H new ATOM 0 HB3 CYS A 109 -14.529 5.940 13.963 1.00 20.12 H new ATOM 1722 N GLN A 110 -17.134 6.389 16.291 1.00 34.40 N ATOM 1723 CA GLN A 110 -17.358 6.959 17.613 1.00 40.41 C ATOM 1724 C GLN A 110 -17.857 5.931 18.591 1.00 1.44 C ATOM 1725 O GLN A 110 -17.315 5.818 19.683 1.00 74.01 O ATOM 1726 CB GLN A 110 -18.376 8.133 17.569 1.00 44.11 C ATOM 1727 CG GLN A 110 -17.824 9.494 18.059 1.00 42.43 C ATOM 1728 CD GLN A 110 -17.098 10.235 16.941 1.00 3.43 C ATOM 1729 OE1 GLN A 110 -17.375 11.399 16.644 1.00 62.41 O ATOM 1730 NE2 GLN A 110 -16.175 9.508 16.269 1.00 73.30 N ATOM 0 H GLN A 110 -17.716 6.814 15.569 1.00 34.40 H new ATOM 0 HA GLN A 110 -16.389 7.331 17.945 1.00 40.41 H new ATOM 0 HB2 GLN A 110 -18.731 8.249 16.545 1.00 44.11 H new ATOM 0 HB3 GLN A 110 -19.241 7.868 18.178 1.00 44.11 H new ATOM 0 HG2 GLN A 110 -18.644 10.108 18.432 1.00 42.43 H new ATOM 0 HG3 GLN A 110 -17.142 9.332 18.893 1.00 42.43 H new ATOM 0 HE21 GLN A 110 -15.978 8.548 16.551 1.00 73.30 H new ATOM 0 HE22 GLN A 110 -15.676 9.921 15.481 1.00 73.30 H new ATOM 1739 N THR A 111 -18.834 5.095 18.173 1.00 53.30 N ATOM 1740 CA THR A 111 -19.361 3.991 18.977 1.00 62.22 C ATOM 1741 C THR A 111 -18.243 3.057 19.431 1.00 31.41 C ATOM 1742 O THR A 111 -18.143 2.736 20.612 1.00 62.14 O ATOM 1743 CB THR A 111 -20.356 3.159 18.170 1.00 73.24 C ATOM 1744 OG1 THR A 111 -21.428 3.978 17.721 1.00 22.22 O ATOM 1745 CG2 THR A 111 -20.951 1.958 18.940 1.00 50.02 C ATOM 0 H THR A 111 -19.277 5.176 17.258 1.00 53.30 H new ATOM 0 HA THR A 111 -19.851 4.438 19.842 1.00 62.22 H new ATOM 0 HB THR A 111 -19.783 2.755 17.335 1.00 73.24 H new ATOM 0 HG1 THR A 111 -22.059 3.436 17.203 1.00 22.22 H new ATOM 0 HG21 THR A 111 -21.647 1.421 18.295 1.00 50.02 H new ATOM 0 HG22 THR A 111 -20.148 1.287 19.245 1.00 50.02 H new ATOM 0 HG23 THR A 111 -21.479 2.318 19.824 1.00 50.02 H new ATOM 1753 N MET A 112 -17.329 2.633 18.527 1.00 24.42 N ATOM 1754 CA MET A 112 -16.227 1.773 18.911 1.00 64.32 C ATOM 1755 C MET A 112 -15.163 2.472 19.759 1.00 31.24 C ATOM 1756 O MET A 112 -14.749 1.963 20.793 1.00 73.41 O ATOM 1757 CB MET A 112 -15.571 1.146 17.656 1.00 64.44 C ATOM 1758 CG MET A 112 -15.219 -0.349 17.846 1.00 42.12 C ATOM 1759 SD MET A 112 -14.125 -0.743 19.247 1.00 5.44 S ATOM 1760 CE MET A 112 -14.075 -2.523 18.927 1.00 35.02 C ATOM 0 H MET A 112 -17.348 2.880 17.538 1.00 24.42 H new ATOM 0 HA MET A 112 -16.660 0.995 19.539 1.00 64.32 H new ATOM 0 HB2 MET A 112 -16.248 1.250 16.808 1.00 64.44 H new ATOM 0 HB3 MET A 112 -14.665 1.700 17.411 1.00 64.44 H new ATOM 0 HG2 MET A 112 -16.147 -0.907 17.968 1.00 42.12 H new ATOM 0 HG3 MET A 112 -14.748 -0.710 16.931 1.00 42.12 H new ATOM 0 HE1 MET A 112 -13.365 -2.995 19.606 1.00 35.02 H new ATOM 0 HE2 MET A 112 -15.066 -2.949 19.084 1.00 35.02 H new ATOM 0 HE3 MET A 112 -13.764 -2.699 17.897 1.00 35.02 H new ATOM 1770 N LEU A 113 -14.711 3.687 19.375 1.00 74.21 N ATOM 1771 CA LEU A 113 -13.680 4.442 20.086 1.00 61.12 C ATOM 1772 C LEU A 113 -14.116 4.857 21.473 1.00 4.32 C ATOM 1773 O LEU A 113 -13.385 4.680 22.447 1.00 3.01 O ATOM 1774 CB LEU A 113 -13.310 5.651 19.209 1.00 23.02 C ATOM 1775 CG LEU A 113 -12.021 6.485 19.427 1.00 23.43 C ATOM 1776 CD1 LEU A 113 -12.185 7.926 18.890 1.00 52.51 C ATOM 1777 CD2 LEU A 113 -11.280 6.401 20.762 1.00 3.32 C ATOM 0 H LEU A 113 -15.064 4.169 18.548 1.00 74.21 H new ATOM 0 HA LEU A 113 -12.806 3.811 20.247 1.00 61.12 H new ATOM 0 HB2 LEU A 113 -13.275 5.290 18.181 1.00 23.02 H new ATOM 0 HB3 LEU A 113 -14.145 6.348 19.274 1.00 23.02 H new ATOM 0 HG LEU A 113 -11.300 5.945 18.813 1.00 23.43 H new ATOM 0 HD11 LEU A 113 -11.264 8.484 19.058 1.00 52.51 H new ATOM 0 HD12 LEU A 113 -12.400 7.894 17.822 1.00 52.51 H new ATOM 0 HD13 LEU A 113 -13.007 8.417 19.411 1.00 52.51 H new ATOM 0 HD21 LEU A 113 -10.404 7.050 20.734 1.00 3.32 H new ATOM 0 HD22 LEU A 113 -11.942 6.721 21.567 1.00 3.32 H new ATOM 0 HD23 LEU A 113 -10.964 5.373 20.939 1.00 3.32 H new ATOM 1789 N ASN A 114 -15.370 5.350 21.600 1.00 23.31 N ATOM 1790 CA ASN A 114 -15.969 5.720 22.877 1.00 52.43 C ATOM 1791 C ASN A 114 -16.072 4.497 23.772 1.00 64.52 C ATOM 1792 O ASN A 114 -15.771 4.555 24.964 1.00 32.12 O ATOM 1793 CB ASN A 114 -17.404 6.293 22.775 1.00 1.12 C ATOM 1794 CG ASN A 114 -17.426 7.658 22.092 1.00 50.23 C ATOM 1795 OD1 ASN A 114 -16.446 8.401 22.028 1.00 20.41 O ATOM 1796 ND2 ASN A 114 -18.627 7.994 21.551 1.00 40.32 N ATOM 0 H ASN A 114 -15.990 5.499 20.804 1.00 23.31 H new ATOM 0 HA ASN A 114 -15.313 6.495 23.273 1.00 52.43 H new ATOM 0 HB2 ASN A 114 -18.033 5.599 22.218 1.00 1.12 H new ATOM 0 HB3 ASN A 114 -17.832 6.380 23.774 1.00 1.12 H new ATOM 0 HD21 ASN A 114 -18.739 8.888 21.072 1.00 40.32 H new ATOM 0 HD22 ASN A 114 -19.417 7.352 21.624 1.00 40.32 H new ATOM 1803 N LEU A 115 -16.469 3.334 23.201 1.00 33.02 N ATOM 1804 CA LEU A 115 -16.495 2.078 23.915 1.00 12.31 C ATOM 1805 C LEU A 115 -15.137 1.651 24.366 1.00 33.44 C ATOM 1806 O LEU A 115 -14.947 1.267 25.512 1.00 52.11 O ATOM 1807 CB LEU A 115 -17.056 0.941 23.038 1.00 44.42 C ATOM 1808 CG LEU A 115 -17.111 -0.445 23.709 1.00 54.02 C ATOM 1809 CD1 LEU A 115 -15.818 -1.268 23.650 1.00 50.11 C ATOM 1810 CD2 LEU A 115 -17.750 -0.393 25.088 1.00 71.12 C ATOM 0 H LEU A 115 -16.776 3.263 22.231 1.00 33.02 H new ATOM 0 HA LEU A 115 -17.135 2.253 24.780 1.00 12.31 H new ATOM 0 HB2 LEU A 115 -18.063 1.213 22.721 1.00 44.42 H new ATOM 0 HB3 LEU A 115 -16.447 0.866 22.137 1.00 44.42 H new ATOM 0 HG LEU A 115 -17.782 -1.026 23.076 1.00 54.02 H new ATOM 0 HD11 LEU A 115 -15.971 -2.223 24.152 1.00 50.11 H new ATOM 0 HD12 LEU A 115 -15.546 -1.445 22.609 1.00 50.11 H new ATOM 0 HD13 LEU A 115 -15.016 -0.722 24.146 1.00 50.11 H new ATOM 0 HD21 LEU A 115 -17.766 -1.394 25.520 1.00 71.12 H new ATOM 0 HD22 LEU A 115 -17.173 0.271 25.732 1.00 71.12 H new ATOM 0 HD23 LEU A 115 -18.770 -0.019 25.002 1.00 71.12 H new ATOM 1822 N ALA A 116 -14.156 1.720 23.458 1.00 31.40 N ATOM 1823 CA ALA A 116 -12.807 1.245 23.649 1.00 51.22 C ATOM 1824 C ALA A 116 -12.130 2.016 24.746 1.00 21.53 C ATOM 1825 O ALA A 116 -11.454 1.442 25.598 1.00 4.13 O ATOM 1826 CB ALA A 116 -11.981 1.357 22.353 1.00 41.24 C ATOM 0 H ALA A 116 -14.301 2.128 22.535 1.00 31.40 H new ATOM 0 HA ALA A 116 -12.867 0.193 23.928 1.00 51.22 H new ATOM 0 HB1 ALA A 116 -10.970 0.991 22.533 1.00 41.24 H new ATOM 0 HB2 ALA A 116 -12.449 0.760 21.570 1.00 41.24 H new ATOM 0 HB3 ALA A 116 -11.938 2.400 22.038 1.00 41.24 H new ATOM 1832 N MET A 117 -12.338 3.355 24.760 1.00 55.13 N ATOM 1833 CA MET A 117 -11.792 4.198 25.791 1.00 51.12 C ATOM 1834 C MET A 117 -12.499 3.938 27.134 1.00 30.12 C ATOM 1835 O MET A 117 -11.859 4.021 28.177 1.00 35.41 O ATOM 1836 CB MET A 117 -11.797 5.708 25.357 1.00 15.02 C ATOM 1837 CG MET A 117 -13.158 6.427 25.394 1.00 43.31 C ATOM 1838 SD MET A 117 -13.098 8.241 25.208 1.00 4.10 S ATOM 1839 CE MET A 117 -12.539 8.370 23.489 1.00 62.55 C ATOM 0 H MET A 117 -12.884 3.852 24.057 1.00 55.13 H new ATOM 0 HA MET A 117 -10.743 3.941 25.941 1.00 51.12 H new ATOM 0 HB2 MET A 117 -11.106 6.251 26.002 1.00 15.02 H new ATOM 0 HB3 MET A 117 -11.404 5.773 24.342 1.00 15.02 H new ATOM 0 HG2 MET A 117 -13.786 6.019 24.602 1.00 43.31 H new ATOM 0 HG3 MET A 117 -13.647 6.193 26.340 1.00 43.31 H new ATOM 0 HE1 MET A 117 -12.432 9.421 23.219 1.00 62.55 H new ATOM 0 HE2 MET A 117 -11.578 7.868 23.380 1.00 62.55 H new ATOM 0 HE3 MET A 117 -13.270 7.899 22.832 1.00 62.55 H new ATOM 1849 N CYS A 118 -13.815 3.558 27.147 1.00 15.41 N ATOM 1850 CA CYS A 118 -14.515 3.068 28.350 1.00 61.13 C ATOM 1851 C CYS A 118 -14.053 1.688 28.804 1.00 51.44 C ATOM 1852 O CYS A 118 -13.758 1.473 29.978 1.00 50.42 O ATOM 1853 CB CYS A 118 -16.064 3.033 28.159 1.00 35.52 C ATOM 1854 SG CYS A 118 -17.064 2.514 29.617 1.00 53.11 S ATOM 0 H CYS A 118 -14.408 3.588 26.317 1.00 15.41 H new ATOM 0 HA CYS A 118 -14.255 3.789 29.125 1.00 61.13 H new ATOM 0 HB2 CYS A 118 -16.393 4.028 27.857 1.00 35.52 H new ATOM 0 HB3 CYS A 118 -16.290 2.358 27.333 1.00 35.52 H new ATOM 1859 N PHE A 119 -13.928 0.717 27.871 1.00 34.11 N ATOM 1860 CA PHE A 119 -13.392 -0.610 28.130 1.00 70.23 C ATOM 1861 C PHE A 119 -12.008 -0.626 28.738 1.00 1.40 C ATOM 1862 O PHE A 119 -11.755 -1.294 29.743 1.00 21.55 O ATOM 1863 CB PHE A 119 -13.380 -1.361 26.779 1.00 2.02 C ATOM 1864 CG PHE A 119 -12.726 -2.719 26.798 1.00 21.24 C ATOM 1865 CD1 PHE A 119 -11.372 -2.812 26.420 1.00 12.15 C ATOM 1866 CD2 PHE A 119 -13.387 -3.869 27.248 1.00 42.24 C ATOM 1867 CE1 PHE A 119 -10.692 -4.030 26.494 1.00 14.42 C ATOM 1868 CE2 PHE A 119 -12.698 -5.083 27.340 1.00 10.12 C ATOM 1869 CZ PHE A 119 -11.354 -5.167 26.967 1.00 24.40 C ATOM 0 H PHE A 119 -14.208 0.852 26.899 1.00 34.11 H new ATOM 0 HA PHE A 119 -14.028 -1.087 28.875 1.00 70.23 H new ATOM 0 HB2 PHE A 119 -14.409 -1.477 26.438 1.00 2.02 H new ATOM 0 HB3 PHE A 119 -12.869 -0.741 26.043 1.00 2.02 H new ATOM 0 HD1 PHE A 119 -10.854 -1.932 26.069 1.00 12.15 H new ATOM 0 HD2 PHE A 119 -14.430 -3.818 27.524 1.00 42.24 H new ATOM 0 HE1 PHE A 119 -9.659 -4.093 26.187 1.00 14.42 H new ATOM 0 HE2 PHE A 119 -13.209 -5.963 27.702 1.00 10.12 H new ATOM 0 HZ PHE A 119 -10.828 -6.107 27.044 1.00 24.40 H new ATOM 1879 N LYS A 120 -11.091 0.162 28.153 1.00 33.32 N ATOM 1880 CA LYS A 120 -9.759 0.359 28.633 1.00 13.14 C ATOM 1881 C LYS A 120 -9.736 0.978 30.014 1.00 63.11 C ATOM 1882 O LYS A 120 -8.869 0.686 30.835 1.00 22.33 O ATOM 1883 CB LYS A 120 -8.983 1.208 27.597 1.00 51.23 C ATOM 1884 CG LYS A 120 -7.530 1.561 27.944 1.00 23.44 C ATOM 1885 CD LYS A 120 -6.591 0.363 28.149 1.00 64.52 C ATOM 1886 CE LYS A 120 -5.152 0.805 28.408 1.00 71.34 C ATOM 1887 NZ LYS A 120 -4.303 -0.366 28.696 1.00 3.32 N ATOM 0 H LYS A 120 -11.288 0.689 27.302 1.00 33.32 H new ATOM 0 HA LYS A 120 -9.269 -0.608 28.742 1.00 13.14 H new ATOM 0 HB2 LYS A 120 -8.986 0.672 26.648 1.00 51.23 H new ATOM 0 HB3 LYS A 120 -9.531 2.137 27.440 1.00 51.23 H new ATOM 0 HG2 LYS A 120 -7.126 2.185 27.147 1.00 23.44 H new ATOM 0 HG3 LYS A 120 -7.527 2.163 28.853 1.00 23.44 H new ATOM 0 HD2 LYS A 120 -6.944 -0.235 28.989 1.00 64.52 H new ATOM 0 HD3 LYS A 120 -6.621 -0.277 27.267 1.00 64.52 H new ATOM 0 HE2 LYS A 120 -4.766 1.338 27.539 1.00 71.34 H new ATOM 0 HE3 LYS A 120 -5.123 1.500 29.247 1.00 71.34 H new ATOM 0 HZ1 LYS A 120 -3.450 -0.059 29.206 1.00 3.32 H new ATOM 0 HZ2 LYS A 120 -4.832 -1.043 29.282 1.00 3.32 H new ATOM 0 HZ3 LYS A 120 -4.027 -0.823 27.803 1.00 3.32 H new ATOM 1901 N ALA A 121 -10.726 1.844 30.305 1.00 54.43 N ATOM 1902 CA ALA A 121 -10.840 2.527 31.581 1.00 43.11 C ATOM 1903 C ALA A 121 -11.027 1.561 32.745 1.00 11.45 C ATOM 1904 O ALA A 121 -10.425 1.685 33.809 1.00 34.44 O ATOM 1905 CB ALA A 121 -12.023 3.513 31.543 1.00 64.22 C ATOM 0 H ALA A 121 -11.468 2.082 29.647 1.00 54.43 H new ATOM 0 HA ALA A 121 -9.904 3.062 31.742 1.00 43.11 H new ATOM 0 HB1 ALA A 121 -12.103 4.022 32.503 1.00 64.22 H new ATOM 0 HB2 ALA A 121 -11.859 4.248 30.755 1.00 64.22 H new ATOM 0 HB3 ALA A 121 -12.945 2.967 31.344 1.00 64.22 H new ATOM 1911 N GLU A 122 -11.887 0.548 32.536 1.00 2.14 N ATOM 1912 CA GLU A 122 -12.128 -0.537 33.456 1.00 40.24 C ATOM 1913 C GLU A 122 -10.935 -1.481 33.642 1.00 41.24 C ATOM 1914 O GLU A 122 -10.538 -1.744 34.768 1.00 54.50 O ATOM 1915 CB GLU A 122 -13.393 -1.278 32.960 1.00 22.13 C ATOM 1916 CG GLU A 122 -14.706 -0.462 33.140 1.00 60.31 C ATOM 1917 CD GLU A 122 -15.175 -0.386 34.593 1.00 72.24 C ATOM 1918 OE1 GLU A 122 -15.156 0.731 35.174 1.00 71.44 O ATOM 1919 OE2 GLU A 122 -15.588 -1.452 35.121 1.00 60.44 O ATOM 0 H GLU A 122 -12.445 0.476 31.685 1.00 2.14 H new ATOM 0 HA GLU A 122 -12.281 -0.128 34.455 1.00 40.24 H new ATOM 0 HB2 GLU A 122 -13.270 -1.523 31.905 1.00 22.13 H new ATOM 0 HB3 GLU A 122 -13.485 -2.222 33.498 1.00 22.13 H new ATOM 0 HG2 GLU A 122 -14.553 0.549 32.761 1.00 60.31 H new ATOM 0 HG3 GLU A 122 -15.492 -0.913 32.535 1.00 60.31 H new ATOM 1926 N ILE A 123 -10.251 -1.961 32.576 1.00 45.52 N ATOM 1927 CA ILE A 123 -9.046 -2.782 32.699 1.00 52.44 C ATOM 1928 C ILE A 123 -7.840 -2.046 33.265 1.00 70.21 C ATOM 1929 O ILE A 123 -6.952 -2.673 33.834 1.00 22.30 O ATOM 1930 CB ILE A 123 -8.666 -3.505 31.407 1.00 33.41 C ATOM 1931 CG1 ILE A 123 -8.260 -2.534 30.289 1.00 62.44 C ATOM 1932 CG2 ILE A 123 -9.829 -4.418 30.965 1.00 31.44 C ATOM 1933 CD1 ILE A 123 -7.962 -3.181 28.933 1.00 51.14 C ATOM 0 H ILE A 123 -10.528 -1.784 31.611 1.00 45.52 H new ATOM 0 HA ILE A 123 -9.332 -3.535 33.433 1.00 52.44 H new ATOM 0 HB ILE A 123 -7.787 -4.117 31.609 1.00 33.41 H new ATOM 0 HG12 ILE A 123 -9.059 -1.804 30.157 1.00 62.44 H new ATOM 0 HG13 ILE A 123 -7.376 -1.984 30.612 1.00 62.44 H new ATOM 0 HG21 ILE A 123 -9.557 -4.933 30.044 1.00 31.44 H new ATOM 0 HG22 ILE A 123 -10.032 -5.152 31.745 1.00 31.44 H new ATOM 0 HG23 ILE A 123 -10.720 -3.815 30.794 1.00 31.44 H new ATOM 0 HD11 ILE A 123 -7.685 -2.409 28.215 1.00 51.14 H new ATOM 0 HD12 ILE A 123 -7.140 -3.888 29.040 1.00 51.14 H new ATOM 0 HD13 ILE A 123 -8.849 -3.706 28.578 1.00 51.14 H new ATOM 1945 N HIS A 124 -7.800 -0.693 33.171 1.00 12.41 N ATOM 1946 CA HIS A 124 -6.849 0.163 33.866 1.00 11.24 C ATOM 1947 C HIS A 124 -6.993 0.050 35.379 1.00 0.31 C ATOM 1948 O HIS A 124 -6.005 0.011 36.109 1.00 70.14 O ATOM 1949 CB HIS A 124 -7.032 1.652 33.456 1.00 53.21 C ATOM 1950 CG HIS A 124 -6.074 2.626 34.090 1.00 4.03 C ATOM 1951 ND1 HIS A 124 -4.779 2.797 33.681 1.00 64.25 N ATOM 1952 CD2 HIS A 124 -6.265 3.454 35.141 1.00 33.21 C ATOM 1953 CE1 HIS A 124 -4.206 3.699 34.458 1.00 51.25 C ATOM 1954 NE2 HIS A 124 -5.085 4.113 35.350 1.00 24.10 N ATOM 0 H HIS A 124 -8.453 -0.168 32.589 1.00 12.41 H new ATOM 0 HA HIS A 124 -5.854 -0.177 33.577 1.00 11.24 H new ATOM 0 HB2 HIS A 124 -6.933 1.726 32.373 1.00 53.21 H new ATOM 0 HB3 HIS A 124 -8.049 1.956 33.705 1.00 53.21 H new ATOM 0 HD1 HIS A 124 -4.331 2.309 32.905 1.00 64.25 H new ATOM 0 HD2 HIS A 124 -7.176 3.573 35.708 1.00 33.21 H new ATOM 0 HE1 HIS A 124 -3.185 4.041 34.376 1.00 51.25 H new ATOM 1963 N LYS A 125 -8.251 0.031 35.886 1.00 51.22 N ATOM 1964 CA LYS A 125 -8.537 0.114 37.309 1.00 45.14 C ATOM 1965 C LYS A 125 -8.319 -1.204 38.052 1.00 44.14 C ATOM 1966 O LYS A 125 -8.114 -1.233 39.265 1.00 71.52 O ATOM 1967 CB LYS A 125 -9.977 0.658 37.541 1.00 24.33 C ATOM 1968 CG LYS A 125 -11.128 -0.349 37.699 1.00 50.42 C ATOM 1969 CD LYS A 125 -12.493 0.349 37.817 1.00 25.34 C ATOM 1970 CE LYS A 125 -13.638 -0.619 38.112 1.00 62.51 C ATOM 1971 NZ LYS A 125 -14.912 0.126 38.129 1.00 63.25 N ATOM 0 H LYS A 125 -9.086 -0.043 35.304 1.00 51.22 H new ATOM 0 HA LYS A 125 -7.817 0.815 37.732 1.00 45.14 H new ATOM 0 HB2 LYS A 125 -9.956 1.279 38.436 1.00 24.33 H new ATOM 0 HB3 LYS A 125 -10.222 1.312 36.705 1.00 24.33 H new ATOM 0 HG2 LYS A 125 -11.139 -1.024 36.843 1.00 50.42 H new ATOM 0 HG3 LYS A 125 -10.956 -0.960 38.585 1.00 50.42 H new ATOM 0 HD2 LYS A 125 -12.445 1.097 38.608 1.00 25.34 H new ATOM 0 HD3 LYS A 125 -12.704 0.880 36.889 1.00 25.34 H new ATOM 0 HE2 LYS A 125 -13.671 -1.403 37.355 1.00 62.51 H new ATOM 0 HE3 LYS A 125 -13.477 -1.110 39.072 1.00 62.51 H new ATOM 0 HZ1 LYS A 125 -15.665 -0.482 38.509 1.00 63.25 H new ATOM 0 HZ2 LYS A 125 -14.813 0.970 38.729 1.00 63.25 H new ATOM 0 HZ3 LYS A 125 -15.157 0.416 37.161 1.00 63.25 H new ATOM 1985 N LEU A 126 -8.384 -2.331 37.311 1.00 15.42 N ATOM 1986 CA LEU A 126 -8.259 -3.703 37.779 1.00 13.31 C ATOM 1987 C LEU A 126 -6.889 -4.077 38.327 1.00 43.45 C ATOM 1988 O LEU A 126 -5.849 -3.525 37.979 1.00 61.13 O ATOM 1989 CB LEU A 126 -8.632 -4.715 36.659 1.00 63.14 C ATOM 1990 CG LEU A 126 -10.122 -4.669 36.250 1.00 63.54 C ATOM 1991 CD1 LEU A 126 -10.370 -5.312 34.879 1.00 62.33 C ATOM 1992 CD2 LEU A 126 -11.035 -5.321 37.299 1.00 64.42 C ATOM 0 H LEU A 126 -8.536 -2.289 36.303 1.00 15.42 H new ATOM 0 HA LEU A 126 -8.960 -3.760 38.612 1.00 13.31 H new ATOM 0 HB2 LEU A 126 -8.017 -4.515 35.781 1.00 63.14 H new ATOM 0 HB3 LEU A 126 -8.388 -5.722 36.996 1.00 63.14 H new ATOM 0 HG LEU A 126 -10.374 -3.611 36.184 1.00 63.54 H new ATOM 0 HD11 LEU A 126 -11.431 -5.255 34.637 1.00 62.33 H new ATOM 0 HD12 LEU A 126 -9.795 -4.782 34.119 1.00 62.33 H new ATOM 0 HD13 LEU A 126 -10.060 -6.357 34.906 1.00 62.33 H new ATOM 0 HD21 LEU A 126 -12.071 -5.263 36.966 1.00 64.42 H new ATOM 0 HD22 LEU A 126 -10.753 -6.366 37.428 1.00 64.42 H new ATOM 0 HD23 LEU A 126 -10.930 -4.797 38.249 1.00 64.42 H new ATOM 2004 N ASP A 127 -6.885 -5.073 39.243 1.00 54.11 N ATOM 2005 CA ASP A 127 -5.711 -5.548 39.952 1.00 33.42 C ATOM 2006 C ASP A 127 -4.925 -6.582 39.137 1.00 42.32 C ATOM 2007 O ASP A 127 -3.899 -7.082 39.590 1.00 42.31 O ATOM 2008 CB ASP A 127 -6.172 -6.117 41.329 1.00 61.22 C ATOM 2009 CG ASP A 127 -5.021 -6.410 42.295 1.00 2.43 C ATOM 2010 OD1 ASP A 127 -4.910 -7.585 42.732 1.00 2.45 O ATOM 2011 OD2 ASP A 127 -4.282 -5.450 42.630 1.00 14.42 O ATOM 0 H ASP A 127 -7.734 -5.573 39.505 1.00 54.11 H new ATOM 0 HA ASP A 127 -5.022 -4.719 40.112 1.00 33.42 H new ATOM 0 HB2 ASP A 127 -6.853 -5.405 41.796 1.00 61.22 H new ATOM 0 HB3 ASP A 127 -6.736 -7.035 41.162 1.00 61.22 H new ATOM 2016 N TRP A 128 -5.386 -6.921 37.915 1.00 54.13 N ATOM 2017 CA TRP A 128 -4.699 -7.832 37.018 1.00 41.45 C ATOM 2018 C TRP A 128 -4.652 -7.142 35.669 1.00 65.12 C ATOM 2019 O TRP A 128 -5.498 -6.297 35.378 1.00 24.11 O ATOM 2020 CB TRP A 128 -5.411 -9.219 36.891 1.00 5.30 C ATOM 2021 CG TRP A 128 -6.797 -9.144 36.272 1.00 41.22 C ATOM 2022 CD1 TRP A 128 -7.909 -8.583 36.820 1.00 23.21 C ATOM 2023 CD2 TRP A 128 -7.124 -9.465 34.908 1.00 11.10 C ATOM 2024 NE1 TRP A 128 -8.894 -8.453 35.867 1.00 12.44 N ATOM 2025 CE2 TRP A 128 -8.431 -8.987 34.682 1.00 62.21 C ATOM 2026 CE3 TRP A 128 -6.391 -10.073 33.892 1.00 44.20 C ATOM 2027 CZ2 TRP A 128 -9.021 -9.089 33.426 1.00 5.23 C ATOM 2028 CZ3 TRP A 128 -7.002 -10.213 32.638 1.00 24.20 C ATOM 2029 CH2 TRP A 128 -8.290 -9.709 32.401 1.00 65.24 C ATOM 0 H TRP A 128 -6.259 -6.557 37.532 1.00 54.13 H new ATOM 0 HA TRP A 128 -3.705 -8.049 37.409 1.00 41.45 H new ATOM 0 HB2 TRP A 128 -4.790 -9.882 36.288 1.00 5.30 H new ATOM 0 HB3 TRP A 128 -5.489 -9.668 37.881 1.00 5.30 H new ATOM 0 HD1 TRP A 128 -8.005 -8.283 37.853 1.00 23.21 H new ATOM 0 HE1 TRP A 128 -9.812 -8.033 36.013 1.00 12.44 H new ATOM 0 HE3 TRP A 128 -5.385 -10.425 34.064 1.00 44.20 H new ATOM 0 HZ2 TRP A 128 -10.013 -8.702 33.245 1.00 5.23 H new ATOM 0 HZ3 TRP A 128 -6.473 -10.716 31.842 1.00 24.20 H new ATOM 0 HH2 TRP A 128 -8.725 -9.799 31.416 1.00 65.24 H new ATOM 2040 N ALA A 129 -3.662 -7.478 34.815 1.00 70.52 N ATOM 2041 CA ALA A 129 -3.530 -6.861 33.515 1.00 70.31 C ATOM 2042 C ALA A 129 -3.713 -7.883 32.398 1.00 51.03 C ATOM 2043 O ALA A 129 -2.905 -8.810 32.310 1.00 52.24 O ATOM 2044 CB ALA A 129 -2.152 -6.196 33.370 1.00 20.25 C ATOM 0 H ALA A 129 -2.949 -8.178 35.021 1.00 70.52 H new ATOM 0 HA ALA A 129 -4.310 -6.104 33.432 1.00 70.31 H new ATOM 0 HB1 ALA A 129 -2.071 -5.737 32.385 1.00 20.25 H new ATOM 0 HB2 ALA A 129 -2.035 -5.431 34.137 1.00 20.25 H new ATOM 0 HB3 ALA A 129 -1.371 -6.948 33.485 1.00 20.25 H new ATOM 2050 N PRO A 130 -4.707 -7.798 31.511 1.00 50.32 N ATOM 2051 CA PRO A 130 -4.646 -8.454 30.204 1.00 52.02 C ATOM 2052 C PRO A 130 -3.607 -7.763 29.327 1.00 54.31 C ATOM 2053 O PRO A 130 -3.414 -6.552 29.428 1.00 23.43 O ATOM 2054 CB PRO A 130 -6.071 -8.267 29.656 1.00 51.41 C ATOM 2055 CG PRO A 130 -6.565 -6.963 30.292 1.00 62.41 C ATOM 2056 CD PRO A 130 -5.902 -6.956 31.665 1.00 31.12 C ATOM 0 HA PRO A 130 -4.352 -9.503 30.243 1.00 52.02 H new ATOM 0 HB2 PRO A 130 -6.071 -8.202 28.568 1.00 51.41 H new ATOM 0 HB3 PRO A 130 -6.712 -9.106 29.925 1.00 51.41 H new ATOM 0 HG2 PRO A 130 -6.273 -6.094 29.702 1.00 62.41 H new ATOM 0 HG3 PRO A 130 -7.652 -6.943 30.372 1.00 62.41 H new ATOM 0 HD2 PRO A 130 -5.636 -5.944 31.970 1.00 31.12 H new ATOM 0 HD3 PRO A 130 -6.570 -7.354 32.429 1.00 31.12 H new ATOM 2064 N THR A 131 -2.934 -8.516 28.429 1.00 21.11 N ATOM 2065 CA THR A 131 -2.166 -7.936 27.333 1.00 55.44 C ATOM 2066 C THR A 131 -3.107 -7.581 26.202 1.00 11.21 C ATOM 2067 O THR A 131 -4.273 -7.976 26.181 1.00 63.51 O ATOM 2068 CB THR A 131 -0.994 -8.815 26.867 1.00 33.24 C ATOM 2069 OG1 THR A 131 -0.165 -8.142 25.924 1.00 22.21 O ATOM 2070 CG2 THR A 131 -1.457 -10.156 26.269 1.00 15.22 C ATOM 0 H THR A 131 -2.915 -9.536 28.453 1.00 21.11 H new ATOM 0 HA THR A 131 -1.689 -7.028 27.702 1.00 55.44 H new ATOM 0 HB THR A 131 -0.415 -9.023 27.767 1.00 33.24 H new ATOM 0 HG1 THR A 131 0.569 -8.732 25.654 1.00 22.21 H new ATOM 0 HG21 THR A 131 -0.588 -10.735 25.957 1.00 15.22 H new ATOM 0 HG22 THR A 131 -2.015 -10.716 27.019 1.00 15.22 H new ATOM 0 HG23 THR A 131 -2.096 -9.968 25.406 1.00 15.22 H new ATOM 2078 N LEU A 132 -2.627 -6.809 25.207 1.00 24.21 N ATOM 2079 CA LEU A 132 -3.424 -6.281 24.114 1.00 52.40 C ATOM 2080 C LEU A 132 -4.026 -7.392 23.284 1.00 54.21 C ATOM 2081 O LEU A 132 -5.159 -7.286 22.828 1.00 11.30 O ATOM 2082 CB LEU A 132 -2.628 -5.319 23.185 1.00 2.44 C ATOM 2083 CG LEU A 132 -2.270 -3.933 23.788 1.00 23.02 C ATOM 2084 CD1 LEU A 132 -3.521 -3.171 24.260 1.00 24.54 C ATOM 2085 CD2 LEU A 132 -1.202 -3.971 24.896 1.00 21.42 C ATOM 0 H LEU A 132 -1.646 -6.536 25.152 1.00 24.21 H new ATOM 0 HA LEU A 132 -4.219 -5.704 24.586 1.00 52.40 H new ATOM 0 HB2 LEU A 132 -1.703 -5.814 22.889 1.00 2.44 H new ATOM 0 HB3 LEU A 132 -3.209 -5.159 22.277 1.00 2.44 H new ATOM 0 HG LEU A 132 -1.817 -3.386 22.961 1.00 23.02 H new ATOM 0 HD11 LEU A 132 -3.225 -2.207 24.675 1.00 24.54 H new ATOM 0 HD12 LEU A 132 -4.191 -3.012 23.415 1.00 24.54 H new ATOM 0 HD13 LEU A 132 -4.034 -3.753 25.025 1.00 24.54 H new ATOM 0 HD21 LEU A 132 -1.016 -2.959 25.257 1.00 21.42 H new ATOM 0 HD22 LEU A 132 -1.554 -4.592 25.720 1.00 21.42 H new ATOM 0 HD23 LEU A 132 -0.278 -4.389 24.496 1.00 21.42 H new ATOM 2097 N ASP A 133 -3.299 -8.521 23.133 1.00 23.23 N ATOM 2098 CA ASP A 133 -3.740 -9.674 22.358 1.00 3.21 C ATOM 2099 C ASP A 133 -5.020 -10.319 22.911 1.00 71.45 C ATOM 2100 O ASP A 133 -5.767 -10.956 22.178 1.00 61.03 O ATOM 2101 CB ASP A 133 -2.620 -10.746 22.284 1.00 31.04 C ATOM 2102 CG ASP A 133 -1.422 -10.216 21.505 1.00 74.34 C ATOM 2103 OD1 ASP A 133 -0.329 -10.123 22.123 1.00 44.14 O ATOM 2104 OD2 ASP A 133 -1.587 -9.902 20.299 1.00 2.44 O ATOM 0 H ASP A 133 -2.379 -8.646 23.556 1.00 23.23 H new ATOM 0 HA ASP A 133 -3.966 -9.296 21.361 1.00 3.21 H new ATOM 0 HB2 ASP A 133 -2.311 -11.027 23.291 1.00 31.04 H new ATOM 0 HB3 ASP A 133 -3.003 -11.647 21.805 1.00 31.04 H new ATOM 2109 N VAL A 134 -5.283 -10.178 24.227 1.00 0.23 N ATOM 2110 CA VAL A 134 -6.469 -10.651 24.934 1.00 43.14 C ATOM 2111 C VAL A 134 -7.447 -9.525 25.197 1.00 12.53 C ATOM 2112 O VAL A 134 -8.641 -9.653 24.926 1.00 55.01 O ATOM 2113 CB VAL A 134 -6.142 -11.450 26.190 1.00 21.25 C ATOM 2114 CG1 VAL A 134 -4.941 -10.884 26.913 1.00 2.33 C ATOM 2115 CG2 VAL A 134 -7.318 -11.663 27.166 1.00 44.31 C ATOM 0 H VAL A 134 -4.630 -9.703 24.851 1.00 0.23 H new ATOM 0 HA VAL A 134 -6.964 -11.357 24.267 1.00 43.14 H new ATOM 0 HB VAL A 134 -5.904 -12.445 25.815 1.00 21.25 H new ATOM 0 HG11 VAL A 134 -4.738 -11.480 27.803 1.00 2.33 H new ATOM 0 HG12 VAL A 134 -4.074 -10.910 26.253 1.00 2.33 H new ATOM 0 HG13 VAL A 134 -5.144 -9.854 27.204 1.00 2.33 H new ATOM 0 HG21 VAL A 134 -6.978 -12.242 28.024 1.00 44.31 H new ATOM 0 HG22 VAL A 134 -7.689 -10.696 27.505 1.00 44.31 H new ATOM 0 HG23 VAL A 134 -8.119 -12.202 26.659 1.00 44.31 H new ATOM 2125 N ALA A 135 -6.974 -8.352 25.677 1.00 54.12 N ATOM 2126 CA ALA A 135 -7.833 -7.214 25.927 1.00 60.34 C ATOM 2127 C ALA A 135 -8.500 -6.663 24.691 1.00 63.11 C ATOM 2128 O ALA A 135 -9.713 -6.466 24.681 1.00 14.21 O ATOM 2129 CB ALA A 135 -7.037 -6.091 26.606 1.00 11.14 C ATOM 0 H ALA A 135 -5.991 -8.187 25.895 1.00 54.12 H new ATOM 0 HA ALA A 135 -8.626 -7.582 26.578 1.00 60.34 H new ATOM 0 HB1 ALA A 135 -7.693 -5.240 26.789 1.00 11.14 H new ATOM 0 HB2 ALA A 135 -6.636 -6.451 27.553 1.00 11.14 H new ATOM 0 HB3 ALA A 135 -6.216 -5.784 25.958 1.00 11.14 H new ATOM 2135 N VAL A 136 -7.757 -6.446 23.582 1.00 71.34 N ATOM 2136 CA VAL A 136 -8.412 -5.995 22.370 1.00 43.20 C ATOM 2137 C VAL A 136 -8.992 -7.188 21.676 1.00 61.32 C ATOM 2138 O VAL A 136 -9.983 -7.068 20.962 1.00 50.43 O ATOM 2139 CB VAL A 136 -7.549 -5.233 21.374 1.00 11.21 C ATOM 2140 CG1 VAL A 136 -6.652 -4.249 22.139 1.00 25.45 C ATOM 2141 CG2 VAL A 136 -6.837 -6.057 20.285 1.00 61.21 C ATOM 0 H VAL A 136 -6.747 -6.574 23.516 1.00 71.34 H new ATOM 0 HA VAL A 136 -9.160 -5.276 22.704 1.00 43.20 H new ATOM 0 HB VAL A 136 -8.233 -4.670 20.739 1.00 11.21 H new ATOM 0 HG11 VAL A 136 -6.030 -3.699 21.433 1.00 25.45 H new ATOM 0 HG12 VAL A 136 -7.273 -3.549 22.697 1.00 25.45 H new ATOM 0 HG13 VAL A 136 -6.015 -4.800 22.831 1.00 25.45 H new ATOM 0 HG21 VAL A 136 -6.258 -5.391 19.645 1.00 61.21 H new ATOM 0 HG22 VAL A 136 -6.170 -6.780 20.754 1.00 61.21 H new ATOM 0 HG23 VAL A 136 -7.578 -6.584 19.684 1.00 61.21 H new ATOM 2151 N GLY A 137 -8.376 -8.384 21.865 1.00 75.23 N ATOM 2152 CA GLY A 137 -8.796 -9.586 21.181 1.00 14.32 C ATOM 2153 C GLY A 137 -10.218 -9.965 21.469 1.00 45.41 C ATOM 2154 O GLY A 137 -10.958 -10.271 20.543 1.00 13.30 O ATOM 0 H GLY A 137 -7.584 -8.518 22.494 1.00 75.23 H new ATOM 0 HA2 GLY A 137 -8.675 -9.446 20.107 1.00 14.32 H new ATOM 0 HA3 GLY A 137 -8.142 -10.408 21.471 1.00 14.32 H new ATOM 2158 N GLU A 138 -10.666 -9.925 22.747 1.00 53.42 N ATOM 2159 CA GLU A 138 -12.032 -10.230 23.103 1.00 4.24 C ATOM 2160 C GLU A 138 -13.025 -9.192 22.599 1.00 73.00 C ATOM 2161 O GLU A 138 -14.129 -9.551 22.186 1.00 14.43 O ATOM 2162 CB GLU A 138 -12.142 -10.439 24.625 1.00 31.13 C ATOM 2163 CG GLU A 138 -11.257 -11.587 25.200 1.00 5.21 C ATOM 2164 CD GLU A 138 -10.352 -12.393 24.254 1.00 75.30 C ATOM 2165 OE1 GLU A 138 -10.889 -13.010 23.310 1.00 54.14 O ATOM 2166 OE2 GLU A 138 -9.121 -12.432 24.487 1.00 50.33 O ATOM 0 H GLU A 138 -10.076 -9.679 23.542 1.00 53.42 H new ATOM 0 HA GLU A 138 -12.304 -11.158 22.600 1.00 4.24 H new ATOM 0 HB2 GLU A 138 -11.873 -9.508 25.124 1.00 31.13 H new ATOM 0 HB3 GLU A 138 -13.183 -10.644 24.874 1.00 31.13 H new ATOM 0 HG2 GLU A 138 -10.620 -11.153 25.970 1.00 5.21 H new ATOM 0 HG3 GLU A 138 -11.922 -12.294 25.697 1.00 5.21 H new ATOM 2173 N LEU A 139 -12.645 -7.882 22.569 1.00 3.32 N ATOM 2174 CA LEU A 139 -13.427 -6.851 21.916 1.00 74.50 C ATOM 2175 C LEU A 139 -13.577 -7.083 20.464 1.00 22.13 C ATOM 2176 O LEU A 139 -14.688 -7.171 19.948 1.00 54.14 O ATOM 2177 CB LEU A 139 -12.747 -5.464 21.929 1.00 73.02 C ATOM 2178 CG LEU A 139 -12.809 -4.720 23.236 1.00 3.33 C ATOM 2179 CD1 LEU A 139 -11.878 -3.497 23.178 1.00 11.50 C ATOM 2180 CD2 LEU A 139 -14.255 -4.250 23.418 1.00 21.10 C ATOM 0 H LEU A 139 -11.788 -7.537 23.002 1.00 3.32 H new ATOM 0 HA LEU A 139 -14.363 -6.883 22.474 1.00 74.50 H new ATOM 0 HB2 LEU A 139 -11.700 -5.590 21.653 1.00 73.02 H new ATOM 0 HB3 LEU A 139 -13.208 -4.846 21.158 1.00 73.02 H new ATOM 0 HG LEU A 139 -12.496 -5.358 24.063 1.00 3.33 H new ATOM 0 HD11 LEU A 139 -11.924 -2.959 24.125 1.00 11.50 H new ATOM 0 HD12 LEU A 139 -10.855 -3.827 22.997 1.00 11.50 H new ATOM 0 HD13 LEU A 139 -12.194 -2.837 22.370 1.00 11.50 H new ATOM 0 HD21 LEU A 139 -14.345 -3.704 24.357 1.00 21.10 H new ATOM 0 HD22 LEU A 139 -14.532 -3.597 22.591 1.00 21.10 H new ATOM 0 HD23 LEU A 139 -14.919 -5.114 23.436 1.00 21.10 H new ATOM 2192 N LEU A 140 -12.432 -7.214 19.777 1.00 33.43 N ATOM 2193 CA LEU A 140 -12.465 -7.363 18.345 1.00 24.11 C ATOM 2194 C LEU A 140 -13.092 -8.677 17.905 1.00 72.54 C ATOM 2195 O LEU A 140 -13.830 -8.702 16.927 1.00 63.40 O ATOM 2196 CB LEU A 140 -11.057 -7.185 17.714 1.00 35.04 C ATOM 2197 CG LEU A 140 -10.444 -5.764 17.819 1.00 61.33 C ATOM 2198 CD1 LEU A 140 -9.064 -5.722 17.136 1.00 50.10 C ATOM 2199 CD2 LEU A 140 -11.316 -4.634 17.263 1.00 11.54 C ATOM 0 H LEU A 140 -11.501 -7.218 20.193 1.00 33.43 H new ATOM 0 HA LEU A 140 -13.106 -6.563 17.975 1.00 24.11 H new ATOM 0 HB2 LEU A 140 -10.375 -7.890 18.189 1.00 35.04 H new ATOM 0 HB3 LEU A 140 -11.115 -7.458 16.660 1.00 35.04 H new ATOM 0 HG LEU A 140 -10.360 -5.579 18.890 1.00 61.33 H new ATOM 0 HD11 LEU A 140 -8.648 -4.718 17.219 1.00 50.10 H new ATOM 0 HD12 LEU A 140 -8.396 -6.433 17.622 1.00 50.10 H new ATOM 0 HD13 LEU A 140 -9.171 -5.985 16.084 1.00 50.10 H new ATOM 0 HD21 LEU A 140 -10.799 -3.682 17.384 1.00 11.54 H new ATOM 0 HD22 LEU A 140 -11.509 -4.811 16.205 1.00 11.54 H new ATOM 0 HD23 LEU A 140 -12.262 -4.604 17.804 1.00 11.54 H new ATOM 2211 N ALA A 141 -12.864 -9.796 18.631 1.00 44.30 N ATOM 2212 CA ALA A 141 -13.530 -11.055 18.367 1.00 12.52 C ATOM 2213 C ALA A 141 -15.039 -10.992 18.490 1.00 42.31 C ATOM 2214 O ALA A 141 -15.746 -11.526 17.640 1.00 52.41 O ATOM 2215 CB ALA A 141 -13.050 -12.138 19.345 1.00 64.34 C ATOM 0 H ALA A 141 -12.210 -9.833 19.413 1.00 44.30 H new ATOM 0 HA ALA A 141 -13.273 -11.291 17.334 1.00 12.52 H new ATOM 0 HB1 ALA A 141 -13.562 -13.076 19.130 1.00 64.34 H new ATOM 0 HB2 ALA A 141 -11.975 -12.278 19.234 1.00 64.34 H new ATOM 0 HB3 ALA A 141 -13.272 -11.830 20.367 1.00 64.34 H new ATOM 2221 N ASP A 142 -15.576 -10.353 19.553 1.00 40.52 N ATOM 2222 CA ASP A 142 -17.000 -10.159 19.722 1.00 12.42 C ATOM 2223 C ASP A 142 -17.551 -9.158 18.699 1.00 72.22 C ATOM 2224 O ASP A 142 -18.668 -9.299 18.213 1.00 32.55 O ATOM 2225 CB ASP A 142 -17.276 -9.747 21.194 1.00 25.13 C ATOM 2226 CG ASP A 142 -18.756 -9.798 21.550 1.00 11.33 C ATOM 2227 OD1 ASP A 142 -19.305 -8.739 21.959 1.00 1.11 O ATOM 2228 OD2 ASP A 142 -19.344 -10.905 21.455 1.00 30.21 O ATOM 0 H ASP A 142 -15.016 -9.962 20.311 1.00 40.52 H new ATOM 0 HA ASP A 142 -17.531 -11.091 19.527 1.00 12.42 H new ATOM 0 HB2 ASP A 142 -16.723 -10.407 21.862 1.00 25.13 H new ATOM 0 HB3 ASP A 142 -16.901 -8.737 21.361 1.00 25.13 H new ATOM 2233 N THR A 143 -16.774 -8.101 18.374 1.00 51.41 N ATOM 2234 CA THR A 143 -17.181 -7.022 17.465 1.00 14.43 C ATOM 2235 C THR A 143 -17.503 -7.459 16.015 1.00 64.43 C ATOM 2236 O THR A 143 -16.579 -7.941 15.308 1.00 0.00 O ATOM 2237 CB THR A 143 -16.176 -5.880 17.398 1.00 74.05 C ATOM 2238 OG1 THR A 143 -16.053 -5.281 18.680 1.00 61.32 O ATOM 2239 CG2 THR A 143 -16.588 -4.763 16.417 1.00 62.34 C ATOM 2240 OXT THR A 143 -18.673 -7.258 15.590 1.00 0.00 O ATOM 0 H THR A 143 -15.832 -7.978 18.745 1.00 51.41 H new ATOM 0 HA THR A 143 -18.109 -6.682 17.925 1.00 14.43 H new ATOM 0 HB THR A 143 -15.241 -6.320 17.052 1.00 74.05 H new ATOM 0 HG1 THR A 143 -15.673 -5.929 19.309 1.00 61.32 H new ATOM 0 HG21 THR A 143 -15.829 -3.980 16.417 1.00 62.34 H new ATOM 0 HG22 THR A 143 -16.682 -5.177 15.413 1.00 62.34 H new ATOM 0 HG23 THR A 143 -17.544 -4.341 16.727 1.00 62.34 H new TER 2248 THR A 143