USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 811 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 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 72 TYR OH : rot -150:sc= -1.61! USER MOD Set 2.1: A 13 LYS NZ :NH3+ -154:sc= -0.057 (180deg=-0.419) USER MOD Set 2.2: A 18 TYR OH : rot 141:sc= 0.49 USER MOD Set 3.1: A 12 THR OG1 : rot -6:sc= 0.666 USER MOD Set 3.2: A 19 SER OG : rot 40:sc= 0.729 USER MOD Set 4.1: A 4 MET CE :methyl 142:sc= -1.91 (180deg=-1.35) USER MOD Set 4.2: A 24 THR OG1 : rot -160:sc= 0 USER MOD Set 4.3: A 27 MET CE :methyl 179:sc= -5.84! (180deg=-1.74) USER MOD Set 4.4: A 34 HIS : no HE2:sc= -8.39! C(o=-16!,f=-19!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -114:sc= 0.0852 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= -3.87! C(o=-4.9!,f=-3.9!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -4.64! C(o=-4.6!,f=-12!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -154:sc= -0.109 (180deg=-0.627) USER MOD Single : A 26 LYS NZ :NH3+ -119:sc= 0.109 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.0915 X(o=-0.092,f=-0.005) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -3! C(o=-3!,f=-8!) USER MOD Single : A 40 TYR OH : rot 180:sc= -0.0803 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -99:sc= 1 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.268 X(o=-0.27,f=0) USER MOD Single : A 57 ASN : amide:sc= -1.71 X(o=-1.7,f=-2.2!) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -0.0984 F(o=-0.63,f=-0.098) USER MOD Single : A 60 SER OG : rot 180:sc= -0.075 USER MOD Single : A 61 MET CE :methyl -167:sc= -3.52! (180deg=-4.64!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -11:sc= 0.8 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.00217 USER MOD Single : A 81 SER OG : rot -69:sc= 1.17 USER MOD Single : A 83 THR OG1 : rot -0:sc= 0.928 USER MOD Single : A 85 TYR OH : rot 157:sc= -0.651 USER MOD Single : A 86 ASN :FLIP amide:sc= -0.8 F(o=-2.8!,f=-0.8) USER MOD Single : A 90 SER OG : rot 130:sc= 0.138 USER MOD Single : A 93 SER OG : rot 88:sc= -0.484 USER MOD Single : A 97 SER OG : rot -120:sc= 3.76 USER MOD Single : A 100 THR OG1 : rot 116:sc= 0.285 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0341 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.741 2.702 -5.539 1.00 0.00 N ATOM 2 CA MET A 1 11.225 4.086 -5.699 1.00 0.00 C ATOM 3 C MET A 1 11.140 4.475 -7.172 1.00 0.00 C ATOM 4 O MET A 1 11.667 3.779 -8.039 1.00 0.00 O ATOM 5 CB MET A 1 12.158 5.042 -4.953 1.00 0.00 C ATOM 6 CG MET A 1 11.539 6.401 -4.671 1.00 0.00 C ATOM 7 SD MET A 1 12.321 7.247 -3.285 1.00 0.00 S ATOM 8 CE MET A 1 11.216 8.641 -3.072 1.00 0.00 C ATOM 0 H1 MET A 1 10.995 2.097 -5.141 1.00 0.00 H new ATOM 0 H2 MET A 1 12.030 2.330 -6.466 1.00 0.00 H new ATOM 0 H3 MET A 1 12.560 2.709 -4.898 1.00 0.00 H new ATOM 0 HA MET A 1 10.218 4.144 -5.286 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.454 4.584 -4.009 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.067 5.181 -5.539 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.617 7.023 -5.562 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.477 6.276 -4.462 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.568 9.261 -2.248 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.195 9.232 -3.988 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.212 8.279 -2.851 1.00 0.00 H new ATOM 20 N ILE A 2 10.473 5.591 -7.448 1.00 0.00 N ATOM 21 CA ILE A 2 10.322 6.070 -8.816 1.00 0.00 C ATOM 22 C ILE A 2 11.330 7.169 -9.123 1.00 0.00 C ATOM 23 O ILE A 2 11.784 7.880 -8.226 1.00 0.00 O ATOM 24 CB ILE A 2 8.899 6.602 -9.076 1.00 0.00 C ATOM 25 CG1 ILE A 2 8.705 6.921 -10.561 1.00 0.00 C ATOM 26 CG2 ILE A 2 8.626 7.833 -8.223 1.00 0.00 C ATOM 27 CD1 ILE A 2 7.335 7.473 -10.885 1.00 0.00 C ATOM 0 H ILE A 2 10.029 6.180 -6.743 1.00 0.00 H new ATOM 0 HA ILE A 2 10.504 5.218 -9.472 1.00 0.00 H new ATOM 0 HB ILE A 2 8.186 5.826 -8.798 1.00 0.00 H new ATOM 0 HG12 ILE A 2 9.461 7.642 -10.871 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.870 6.015 -11.144 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.617 8.195 -8.419 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.719 7.573 -7.169 1.00 0.00 H new ATOM 0 HG23 ILE A 2 9.346 8.613 -8.469 1.00 0.00 H new ATOM 0 HD11 ILE A 2 7.268 7.676 -11.954 1.00 0.00 H new ATOM 0 HD12 ILE A 2 6.574 6.744 -10.606 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.174 8.397 -10.329 1.00 0.00 H new ATOM 39 N GLN A 3 11.675 7.304 -10.397 1.00 0.00 N ATOM 40 CA GLN A 3 12.630 8.320 -10.825 1.00 0.00 C ATOM 41 C GLN A 3 11.976 9.690 -10.866 1.00 0.00 C ATOM 42 O GLN A 3 12.354 10.600 -10.129 1.00 0.00 O ATOM 43 CB GLN A 3 13.201 7.974 -12.201 1.00 0.00 C ATOM 44 CG GLN A 3 14.185 9.005 -12.729 1.00 0.00 C ATOM 45 CD GLN A 3 13.640 9.786 -13.909 1.00 0.00 C ATOM 46 OE1 GLN A 3 13.441 9.102 -15.031 1.00 0.00 O flip ATOM 47 NE2 GLN A 3 13.400 10.990 -13.815 1.00 0.00 N flip ATOM 0 H GLN A 3 11.309 6.724 -11.152 1.00 0.00 H new ATOM 0 HA GLN A 3 13.444 8.344 -10.101 1.00 0.00 H new ATOM 0 HB2 GLN A 3 13.698 7.005 -12.146 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.380 7.871 -12.910 1.00 0.00 H new ATOM 0 HG2 GLN A 3 14.443 9.698 -11.928 1.00 0.00 H new ATOM 0 HG3 GLN A 3 15.106 8.503 -13.025 1.00 0.00 H new ATOM 0 HE21 GLN A 3 13.568 11.476 -12.934 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.034 11.501 -14.618 1.00 0.00 H new ATOM 56 N MET A 4 10.991 9.820 -11.735 1.00 0.00 N ATOM 57 CA MET A 4 10.264 11.071 -11.890 1.00 0.00 C ATOM 58 C MET A 4 8.831 10.931 -11.390 1.00 0.00 C ATOM 59 O MET A 4 8.179 9.911 -11.617 1.00 0.00 O ATOM 60 CB MET A 4 10.261 11.505 -13.356 1.00 0.00 C ATOM 61 CG MET A 4 9.484 12.788 -13.612 1.00 0.00 C ATOM 62 SD MET A 4 10.297 14.246 -12.931 1.00 0.00 S ATOM 63 CE MET A 4 9.389 15.555 -13.751 1.00 0.00 C ATOM 0 H MET A 4 10.673 9.070 -12.349 1.00 0.00 H new ATOM 0 HA MET A 4 10.768 11.831 -11.293 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.290 11.642 -13.687 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.835 10.705 -13.962 1.00 0.00 H new ATOM 0 HG2 MET A 4 9.353 12.919 -14.686 1.00 0.00 H new ATOM 0 HG3 MET A 4 8.488 12.697 -13.178 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.239 16.383 -13.058 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.954 15.903 -14.616 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.421 15.176 -14.078 1.00 0.00 H new ATOM 73 N ALA A 5 8.347 11.963 -10.713 1.00 0.00 N ATOM 74 CA ALA A 5 6.992 11.966 -10.186 1.00 0.00 C ATOM 75 C ALA A 5 6.103 12.899 -11.003 1.00 0.00 C ATOM 76 O ALA A 5 6.233 14.120 -10.920 1.00 0.00 O ATOM 77 CB ALA A 5 6.995 12.379 -8.725 1.00 0.00 C ATOM 0 H ALA A 5 8.877 12.812 -10.516 1.00 0.00 H new ATOM 0 HA ALA A 5 6.589 10.956 -10.260 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.974 12.377 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.598 11.677 -8.150 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.415 13.380 -8.631 1.00 0.00 H new ATOM 83 N PRO A 6 5.192 12.337 -11.813 1.00 0.00 N ATOM 84 CA PRO A 6 4.290 13.129 -12.652 1.00 0.00 C ATOM 85 C PRO A 6 3.547 14.197 -11.858 1.00 0.00 C ATOM 86 O PRO A 6 3.322 14.046 -10.657 1.00 0.00 O ATOM 87 CB PRO A 6 3.318 12.086 -13.202 1.00 0.00 C ATOM 88 CG PRO A 6 4.104 10.821 -13.205 1.00 0.00 C ATOM 89 CD PRO A 6 4.972 10.891 -11.981 1.00 0.00 C ATOM 0 HA PRO A 6 4.825 13.680 -13.426 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.429 12.001 -12.577 1.00 0.00 H new ATOM 0 HB3 PRO A 6 2.979 12.347 -14.205 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.449 9.951 -13.173 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.706 10.734 -14.110 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.480 10.454 -11.112 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.910 10.354 -12.120 1.00 0.00 H new ATOM 97 N PRO A 7 3.159 15.298 -12.521 1.00 0.00 N ATOM 98 CA PRO A 7 2.440 16.398 -11.873 1.00 0.00 C ATOM 99 C PRO A 7 1.077 15.969 -11.348 1.00 0.00 C ATOM 100 O PRO A 7 0.740 14.785 -11.353 1.00 0.00 O ATOM 101 CB PRO A 7 2.275 17.434 -12.989 1.00 0.00 C ATOM 102 CG PRO A 7 2.420 16.663 -14.256 1.00 0.00 C ATOM 103 CD PRO A 7 3.389 15.558 -13.953 1.00 0.00 C ATOM 0 HA PRO A 7 2.979 16.773 -11.003 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.302 17.922 -12.933 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.029 18.217 -12.915 1.00 0.00 H new ATOM 0 HG2 PRO A 7 1.460 16.263 -14.582 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.791 17.298 -15.060 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.195 14.674 -14.560 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.418 15.859 -14.148 1.00 0.00 H new ATOM 111 N SER A 8 0.294 16.944 -10.906 1.00 0.00 N ATOM 112 CA SER A 8 -1.040 16.680 -10.387 1.00 0.00 C ATOM 113 C SER A 8 -2.083 16.973 -11.456 1.00 0.00 C ATOM 114 O SER A 8 -2.412 18.131 -11.714 1.00 0.00 O ATOM 115 CB SER A 8 -1.310 17.531 -9.146 1.00 0.00 C ATOM 116 OG SER A 8 -1.613 16.719 -8.026 1.00 0.00 O ATOM 0 H SER A 8 0.562 17.928 -10.897 1.00 0.00 H new ATOM 0 HA SER A 8 -1.102 15.628 -10.108 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.438 18.147 -8.927 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.139 18.211 -9.341 1.00 0.00 H new ATOM 0 HG SER A 8 -1.780 17.287 -7.245 1.00 0.00 H new ATOM 122 N LEU A 9 -2.589 15.922 -12.089 1.00 0.00 N ATOM 123 CA LEU A 9 -3.580 16.082 -13.142 1.00 0.00 C ATOM 124 C LEU A 9 -4.972 16.315 -12.566 1.00 0.00 C ATOM 125 O LEU A 9 -5.432 15.572 -11.699 1.00 0.00 O ATOM 126 CB LEU A 9 -3.589 14.858 -14.060 1.00 0.00 C ATOM 127 CG LEU A 9 -3.413 15.169 -15.547 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.599 13.914 -16.385 1.00 0.00 C ATOM 129 CD2 LEU A 9 -4.393 16.244 -15.985 1.00 0.00 C ATOM 0 H LEU A 9 -2.330 14.955 -11.892 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.304 16.961 -13.724 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.793 14.182 -13.748 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.531 14.326 -13.924 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.399 15.538 -15.700 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.470 14.158 -17.439 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.860 13.168 -16.092 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.601 13.515 -16.225 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.254 16.453 -17.046 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.413 15.898 -15.814 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.217 17.153 -15.410 1.00 0.00 H new ATOM 141 N ASN A 10 -5.636 17.351 -13.064 1.00 0.00 N ATOM 142 CA ASN A 10 -6.980 17.694 -12.614 1.00 0.00 C ATOM 143 C ASN A 10 -7.830 18.172 -13.788 1.00 0.00 C ATOM 144 O ASN A 10 -7.370 18.956 -14.618 1.00 0.00 O ATOM 145 CB ASN A 10 -6.922 18.774 -11.532 1.00 0.00 C ATOM 146 CG ASN A 10 -6.138 19.993 -11.973 1.00 0.00 C ATOM 147 OD1 ASN A 10 -6.560 20.723 -12.869 1.00 0.00 O ATOM 148 ND2 ASN A 10 -4.990 20.219 -11.342 1.00 0.00 N ATOM 0 H ASN A 10 -5.264 17.971 -13.783 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.439 16.800 -12.191 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.936 19.074 -11.267 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.467 18.359 -10.632 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.419 21.026 -11.595 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -4.680 19.586 -10.605 1.00 0.00 H new ATOM 155 N VAL A 11 -9.064 17.685 -13.860 1.00 0.00 N ATOM 156 CA VAL A 11 -9.966 18.055 -14.945 1.00 0.00 C ATOM 157 C VAL A 11 -10.807 19.279 -14.595 1.00 0.00 C ATOM 158 O VAL A 11 -11.602 19.255 -13.655 1.00 0.00 O ATOM 159 CB VAL A 11 -10.910 16.892 -15.310 1.00 0.00 C ATOM 160 CG1 VAL A 11 -11.821 17.285 -16.464 1.00 0.00 C ATOM 161 CG2 VAL A 11 -10.113 15.645 -15.655 1.00 0.00 C ATOM 0 H VAL A 11 -9.462 17.035 -13.182 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.333 18.294 -15.800 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.533 16.670 -14.444 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -12.480 16.452 -16.707 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -12.420 18.149 -16.177 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -11.216 17.536 -17.336 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -10.797 14.835 -15.910 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.463 15.852 -16.505 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.507 15.352 -14.798 1.00 0.00 H new ATOM 171 N THR A 12 -10.635 20.344 -15.373 1.00 0.00 N ATOM 172 CA THR A 12 -11.387 21.576 -15.169 1.00 0.00 C ATOM 173 C THR A 12 -12.188 21.922 -16.410 1.00 0.00 C ATOM 174 O THR A 12 -11.640 22.108 -17.496 1.00 0.00 O ATOM 175 CB THR A 12 -10.452 22.729 -14.804 1.00 0.00 C ATOM 176 OG1 THR A 12 -9.867 23.288 -15.966 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.329 22.319 -13.876 1.00 0.00 C ATOM 0 H THR A 12 -9.979 20.377 -16.153 1.00 0.00 H new ATOM 0 HA THR A 12 -12.078 21.418 -14.341 1.00 0.00 H new ATOM 0 HB THR A 12 -11.079 23.457 -14.289 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.110 22.748 -16.747 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.703 23.184 -13.657 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.748 21.930 -12.948 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.726 21.547 -14.354 1.00 0.00 H new ATOM 185 N LYS A 13 -13.496 21.993 -16.231 1.00 0.00 N ATOM 186 CA LYS A 13 -14.411 22.303 -17.326 1.00 0.00 C ATOM 187 C LYS A 13 -14.967 23.720 -17.203 1.00 0.00 C ATOM 188 O LYS A 13 -14.802 24.375 -16.174 1.00 0.00 O ATOM 189 CB LYS A 13 -15.556 21.289 -17.356 1.00 0.00 C ATOM 190 CG LYS A 13 -16.594 21.501 -16.266 1.00 0.00 C ATOM 191 CD LYS A 13 -17.866 22.117 -16.826 1.00 0.00 C ATOM 192 CE LYS A 13 -19.105 21.549 -16.155 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.292 20.103 -16.461 1.00 0.00 N ATOM 0 H LYS A 13 -13.954 21.840 -15.333 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.852 22.242 -18.259 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.048 21.339 -18.327 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.142 20.285 -17.260 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.827 20.547 -15.793 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.184 22.149 -15.492 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.839 23.198 -16.687 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.917 21.935 -17.899 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -19.027 21.684 -15.076 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.983 22.106 -16.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.300 19.860 -16.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.961 19.907 -17.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.746 19.532 -15.785 1.00 0.00 H new ATOM 207 N ASP A 14 -15.628 24.182 -18.261 1.00 0.00 N ATOM 208 CA ASP A 14 -16.213 25.519 -18.276 1.00 0.00 C ATOM 209 C ASP A 14 -17.297 25.625 -19.345 1.00 0.00 C ATOM 210 O ASP A 14 -17.440 26.659 -19.998 1.00 0.00 O ATOM 211 CB ASP A 14 -15.129 26.573 -18.521 1.00 0.00 C ATOM 212 CG ASP A 14 -14.854 27.416 -17.291 1.00 0.00 C ATOM 213 OD1 ASP A 14 -14.344 26.863 -16.295 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.148 28.630 -17.325 1.00 0.00 O ATOM 0 H ASP A 14 -15.772 23.650 -19.119 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.669 25.700 -17.303 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.209 26.078 -18.832 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.436 27.222 -19.342 1.00 0.00 H new ATOM 219 N GLY A 15 -18.057 24.549 -19.517 1.00 0.00 N ATOM 220 CA GLY A 15 -19.117 24.541 -20.507 1.00 0.00 C ATOM 221 C GLY A 15 -18.782 23.669 -21.699 1.00 0.00 C ATOM 222 O GLY A 15 -18.377 24.167 -22.749 1.00 0.00 O ATOM 0 H GLY A 15 -17.958 23.682 -18.988 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.039 24.185 -20.047 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.303 25.560 -20.846 1.00 0.00 H new ATOM 226 N ASP A 16 -18.945 22.362 -21.534 1.00 0.00 N ATOM 227 CA ASP A 16 -18.651 21.412 -22.599 1.00 0.00 C ATOM 228 C ASP A 16 -17.220 21.584 -23.098 1.00 0.00 C ATOM 229 O ASP A 16 -16.895 21.208 -24.224 1.00 0.00 O ATOM 230 CB ASP A 16 -19.635 21.586 -23.758 1.00 0.00 C ATOM 231 CG ASP A 16 -20.998 20.992 -23.456 1.00 0.00 C ATOM 232 OD1 ASP A 16 -21.554 21.299 -22.381 1.00 0.00 O ATOM 233 OD2 ASP A 16 -21.508 20.221 -24.296 1.00 0.00 O ATOM 0 H ASP A 16 -19.280 21.935 -20.670 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.758 20.406 -22.194 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.746 22.647 -23.980 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -19.226 21.114 -24.652 1.00 0.00 H new ATOM 238 N SER A 17 -16.366 22.150 -22.250 1.00 0.00 N ATOM 239 CA SER A 17 -14.969 22.368 -22.598 1.00 0.00 C ATOM 240 C SER A 17 -14.064 21.964 -21.441 1.00 0.00 C ATOM 241 O SER A 17 -13.736 22.781 -20.581 1.00 0.00 O ATOM 242 CB SER A 17 -14.733 23.836 -22.961 1.00 0.00 C ATOM 243 OG SER A 17 -15.066 24.086 -24.315 1.00 0.00 O ATOM 0 H SER A 17 -16.620 22.466 -21.314 1.00 0.00 H new ATOM 0 HA SER A 17 -14.729 21.750 -23.463 1.00 0.00 H new ATOM 0 HB2 SER A 17 -15.332 24.475 -22.312 1.00 0.00 H new ATOM 0 HB3 SER A 17 -13.688 24.094 -22.787 1.00 0.00 H new ATOM 0 HG SER A 17 -14.908 25.031 -24.522 1.00 0.00 H new ATOM 249 N TYR A 18 -13.672 20.695 -21.421 1.00 0.00 N ATOM 250 CA TYR A 18 -12.814 20.177 -20.363 1.00 0.00 C ATOM 251 C TYR A 18 -11.344 20.459 -20.653 1.00 0.00 C ATOM 252 O TYR A 18 -10.888 20.342 -21.790 1.00 0.00 O ATOM 253 CB TYR A 18 -13.033 18.673 -20.197 1.00 0.00 C ATOM 254 CG TYR A 18 -14.405 18.323 -19.670 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.476 18.135 -20.535 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.630 18.190 -18.308 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.734 17.824 -20.054 1.00 0.00 C ATOM 258 CE2 TYR A 18 -15.884 17.877 -17.818 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.933 17.696 -18.695 1.00 0.00 C ATOM 260 OH TYR A 18 -18.183 17.386 -18.213 1.00 0.00 O ATOM 0 H TYR A 18 -13.935 20.006 -22.126 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.080 20.686 -19.436 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.885 18.183 -21.159 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.278 18.276 -19.518 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.323 18.233 -21.600 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.811 18.333 -17.618 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.557 17.682 -20.739 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -16.041 17.775 -16.754 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.099 16.761 -17.463 1.00 0.00 H new ATOM 270 N SER A 19 -10.608 20.823 -19.608 1.00 0.00 N ATOM 271 CA SER A 19 -9.186 21.114 -19.728 1.00 0.00 C ATOM 272 C SER A 19 -8.440 20.588 -18.509 1.00 0.00 C ATOM 273 O SER A 19 -8.942 20.666 -17.387 1.00 0.00 O ATOM 274 CB SER A 19 -8.959 22.621 -19.871 1.00 0.00 C ATOM 275 OG SER A 19 -10.112 23.350 -19.487 1.00 0.00 O ATOM 0 H SER A 19 -10.977 20.924 -18.663 1.00 0.00 H new ATOM 0 HA SER A 19 -8.804 20.618 -20.620 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.112 22.924 -19.256 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.703 22.857 -20.904 1.00 0.00 H new ATOM 0 HG SER A 19 -10.515 22.932 -18.698 1.00 0.00 H new ATOM 281 N LEU A 20 -7.248 20.042 -18.725 1.00 0.00 N ATOM 282 CA LEU A 20 -6.461 19.501 -17.624 1.00 0.00 C ATOM 283 C LEU A 20 -5.431 20.510 -17.130 1.00 0.00 C ATOM 284 O LEU A 20 -4.870 21.278 -17.911 1.00 0.00 O ATOM 285 CB LEU A 20 -5.754 18.199 -18.025 1.00 0.00 C ATOM 286 CG LEU A 20 -6.108 17.630 -19.399 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.361 16.327 -19.638 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.606 17.410 -19.516 1.00 0.00 C ATOM 0 H LEU A 20 -6.810 19.963 -19.643 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.158 19.285 -16.814 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.678 18.370 -17.993 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.979 17.442 -17.273 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.806 18.350 -20.159 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.622 15.933 -20.620 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.287 16.510 -19.594 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.637 15.603 -18.871 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.838 17.005 -20.501 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.932 16.708 -18.749 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.125 18.359 -19.383 1.00 0.00 H new ATOM 300 N ARG A 21 -5.180 20.487 -15.826 1.00 0.00 N ATOM 301 CA ARG A 21 -4.208 21.384 -15.217 1.00 0.00 C ATOM 302 C ARG A 21 -3.147 20.584 -14.478 1.00 0.00 C ATOM 303 O ARG A 21 -3.395 20.038 -13.403 1.00 0.00 O ATOM 304 CB ARG A 21 -4.895 22.353 -14.259 1.00 0.00 C ATOM 305 CG ARG A 21 -4.288 23.747 -14.266 1.00 0.00 C ATOM 306 CD ARG A 21 -5.204 24.759 -13.598 1.00 0.00 C ATOM 307 NE ARG A 21 -4.523 26.026 -13.341 1.00 0.00 N ATOM 308 CZ ARG A 21 -4.957 26.929 -12.469 1.00 0.00 C ATOM 309 NH1 ARG A 21 -6.063 26.705 -11.774 1.00 0.00 N ATOM 310 NH2 ARG A 21 -4.282 28.058 -12.291 1.00 0.00 N ATOM 0 H ARG A 21 -5.638 19.855 -15.170 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.730 21.961 -16.009 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.950 22.424 -14.522 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.845 21.949 -13.248 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.328 23.729 -13.751 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.093 24.054 -15.293 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.073 24.936 -14.232 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.574 24.349 -12.658 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.668 26.228 -13.859 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.583 25.838 -11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.394 27.400 -11.105 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.430 28.232 -12.824 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.615 28.751 -11.621 1.00 0.00 H new ATOM 324 N TRP A 22 -1.967 20.512 -15.072 1.00 0.00 N ATOM 325 CA TRP A 22 -0.856 19.768 -14.490 1.00 0.00 C ATOM 326 C TRP A 22 0.308 20.694 -14.159 1.00 0.00 C ATOM 327 O TRP A 22 0.724 21.505 -14.987 1.00 0.00 O ATOM 328 CB TRP A 22 -0.392 18.685 -15.463 1.00 0.00 C ATOM 329 CG TRP A 22 -0.129 19.217 -16.837 1.00 0.00 C ATOM 330 CD1 TRP A 22 0.973 19.909 -17.247 1.00 0.00 C ATOM 331 CD2 TRP A 22 -0.985 19.109 -17.979 1.00 0.00 C ATOM 332 NE1 TRP A 22 0.852 20.244 -18.572 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.340 19.763 -19.044 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.234 18.524 -18.207 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.901 19.848 -20.313 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.786 18.609 -19.470 1.00 0.00 C ATOM 337 CH2 TRP A 22 -2.120 19.267 -20.506 1.00 0.00 C ATOM 0 H TRP A 22 -1.751 20.961 -15.962 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.201 19.306 -13.565 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.516 18.221 -15.078 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.150 17.904 -15.519 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.817 20.157 -16.620 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.538 20.766 -19.117 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.757 18.015 -17.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.390 20.356 -21.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.749 18.159 -19.660 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.580 19.317 -21.482 1.00 0.00 H new ATOM 348 N GLU A 23 0.834 20.561 -12.948 1.00 0.00 N ATOM 349 CA GLU A 23 1.956 21.379 -12.509 1.00 0.00 C ATOM 350 C GLU A 23 2.979 20.525 -11.769 1.00 0.00 C ATOM 351 O GLU A 23 2.630 19.784 -10.850 1.00 0.00 O ATOM 352 CB GLU A 23 1.470 22.515 -11.608 1.00 0.00 C ATOM 353 CG GLU A 23 2.115 23.856 -11.917 1.00 0.00 C ATOM 354 CD GLU A 23 1.237 25.031 -11.528 1.00 0.00 C ATOM 355 OE1 GLU A 23 1.038 25.246 -10.315 1.00 0.00 O ATOM 356 OE2 GLU A 23 0.749 25.733 -12.439 1.00 0.00 O ATOM 0 H GLU A 23 0.501 19.894 -12.252 1.00 0.00 H new ATOM 0 HA GLU A 23 2.431 21.811 -13.390 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.389 22.610 -11.708 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.672 22.255 -10.569 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.066 23.928 -11.389 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.337 23.911 -12.983 1.00 0.00 H new ATOM 363 N THR A 24 4.239 20.624 -12.178 1.00 0.00 N ATOM 364 CA THR A 24 5.303 19.850 -11.552 1.00 0.00 C ATOM 365 C THR A 24 5.914 20.597 -10.376 1.00 0.00 C ATOM 366 O THR A 24 5.773 21.814 -10.252 1.00 0.00 O ATOM 367 CB THR A 24 6.392 19.510 -12.570 1.00 0.00 C ATOM 368 OG1 THR A 24 6.862 20.683 -13.213 1.00 0.00 O ATOM 369 CG2 THR A 24 5.928 18.553 -13.645 1.00 0.00 C ATOM 0 H THR A 24 4.547 21.231 -12.938 1.00 0.00 H new ATOM 0 HA THR A 24 4.860 18.926 -11.180 1.00 0.00 H new ATOM 0 HB THR A 24 7.184 19.030 -11.996 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.304 20.441 -14.053 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.749 18.354 -14.334 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.605 17.619 -13.186 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.095 18.996 -14.191 1.00 0.00 H new ATOM 377 N MET A 25 6.598 19.853 -9.518 1.00 0.00 N ATOM 378 CA MET A 25 7.245 20.421 -8.344 1.00 0.00 C ATOM 379 C MET A 25 8.120 19.371 -7.673 1.00 0.00 C ATOM 380 O MET A 25 8.241 19.334 -6.449 1.00 0.00 O ATOM 381 CB MET A 25 6.198 20.943 -7.360 1.00 0.00 C ATOM 382 CG MET A 25 5.284 19.858 -6.814 1.00 0.00 C ATOM 383 SD MET A 25 3.817 19.606 -7.834 1.00 0.00 S ATOM 384 CE MET A 25 2.938 21.141 -7.550 1.00 0.00 C ATOM 0 H MET A 25 6.720 18.845 -9.615 1.00 0.00 H new ATOM 0 HA MET A 25 7.872 21.255 -8.658 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.705 21.432 -6.528 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.592 21.702 -7.855 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.839 18.922 -6.745 1.00 0.00 H new ATOM 0 HG3 MET A 25 4.977 20.122 -5.802 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.870 20.982 -7.701 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.114 21.477 -6.528 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.294 21.899 -8.248 1.00 0.00 H new ATOM 394 N LYS A 26 8.721 18.512 -8.492 1.00 0.00 N ATOM 395 CA LYS A 26 9.582 17.447 -7.993 1.00 0.00 C ATOM 396 C LYS A 26 11.026 17.653 -8.441 1.00 0.00 C ATOM 397 O LYS A 26 11.825 16.717 -8.436 1.00 0.00 O ATOM 398 CB LYS A 26 9.084 16.082 -8.485 1.00 0.00 C ATOM 399 CG LYS A 26 7.590 16.028 -8.768 1.00 0.00 C ATOM 400 CD LYS A 26 6.772 16.240 -7.505 1.00 0.00 C ATOM 401 CE LYS A 26 5.299 16.442 -7.828 1.00 0.00 C ATOM 402 NZ LYS A 26 4.454 16.428 -6.603 1.00 0.00 N ATOM 0 H LYS A 26 8.626 18.534 -9.507 1.00 0.00 H new ATOM 0 HA LYS A 26 9.547 17.474 -6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.624 15.817 -9.394 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.328 15.328 -7.737 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.331 16.791 -9.502 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.337 15.063 -9.208 1.00 0.00 H new ATOM 0 HD2 LYS A 26 6.887 15.380 -6.846 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.151 17.108 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.168 17.391 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.966 15.658 -8.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.770 15.646 -6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.058 16.298 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.942 17.330 -6.524 1.00 0.00 H new ATOM 416 N MET A 27 11.357 18.880 -8.831 1.00 0.00 N ATOM 417 CA MET A 27 12.706 19.195 -9.281 1.00 0.00 C ATOM 418 C MET A 27 12.992 20.687 -9.147 1.00 0.00 C ATOM 419 O MET A 27 14.050 21.085 -8.660 1.00 0.00 O ATOM 420 CB MET A 27 12.901 18.737 -10.732 1.00 0.00 C ATOM 421 CG MET A 27 12.048 19.488 -11.745 1.00 0.00 C ATOM 422 SD MET A 27 10.284 19.156 -11.563 1.00 0.00 S ATOM 423 CE MET A 27 9.773 19.088 -13.278 1.00 0.00 C ATOM 0 H MET A 27 10.711 19.669 -8.844 1.00 0.00 H new ATOM 0 HA MET A 27 13.412 18.660 -8.647 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.951 18.855 -11.000 1.00 0.00 H new ATOM 0 HB3 MET A 27 12.672 17.673 -10.799 1.00 0.00 H new ATOM 0 HG2 MET A 27 12.224 20.558 -11.638 1.00 0.00 H new ATOM 0 HG3 MET A 27 12.362 19.213 -12.752 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.706 18.872 -13.331 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.973 20.047 -13.756 1.00 0.00 H new ATOM 0 HE3 MET A 27 10.328 18.304 -13.792 1.00 0.00 H new ATOM 433 N ARG A 28 12.040 21.511 -9.577 1.00 0.00 N ATOM 434 CA ARG A 28 12.184 22.962 -9.503 1.00 0.00 C ATOM 435 C ARG A 28 13.561 23.411 -9.992 1.00 0.00 C ATOM 436 O ARG A 28 14.066 24.454 -9.576 1.00 0.00 O ATOM 437 CB ARG A 28 11.959 23.444 -8.069 1.00 0.00 C ATOM 438 CG ARG A 28 10.681 22.911 -7.443 1.00 0.00 C ATOM 439 CD ARG A 28 10.737 22.973 -5.924 1.00 0.00 C ATOM 440 NE ARG A 28 11.353 21.781 -5.347 1.00 0.00 N ATOM 441 CZ ARG A 28 11.231 21.438 -4.069 1.00 0.00 C ATOM 442 NH1 ARG A 28 10.521 22.194 -3.243 1.00 0.00 N ATOM 443 NH2 ARG A 28 11.818 20.339 -3.616 1.00 0.00 N ATOM 0 H ARG A 28 11.158 21.197 -9.982 1.00 0.00 H new ATOM 0 HA ARG A 28 11.431 23.405 -10.155 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.808 23.142 -7.455 1.00 0.00 H new ATOM 0 HB3 ARG A 28 11.931 24.534 -8.061 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.830 23.491 -7.801 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.521 21.881 -7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.300 23.855 -5.618 1.00 0.00 H new ATOM 0 HD3 ARG A 28 9.727 23.086 -5.529 1.00 0.00 H new ATOM 0 HE ARG A 28 11.906 21.180 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.068 23.040 -3.588 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.428 21.930 -2.262 1.00 0.00 H new ATOM 0 HH21 ARG A 28 12.365 19.755 -4.249 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.723 20.078 -2.635 1.00 0.00 H new ATOM 457 N TYR A 29 14.159 22.622 -10.877 1.00 0.00 N ATOM 458 CA TYR A 29 15.472 22.946 -11.422 1.00 0.00 C ATOM 459 C TYR A 29 15.467 24.339 -12.041 1.00 0.00 C ATOM 460 O TYR A 29 15.904 25.310 -11.423 1.00 0.00 O ATOM 461 CB TYR A 29 15.881 21.916 -12.476 1.00 0.00 C ATOM 462 CG TYR A 29 16.598 20.711 -11.908 1.00 0.00 C ATOM 463 CD1 TYR A 29 16.070 20.007 -10.835 1.00 0.00 C ATOM 464 CD2 TYR A 29 17.801 20.276 -12.450 1.00 0.00 C ATOM 465 CE1 TYR A 29 16.719 18.903 -10.316 1.00 0.00 C ATOM 466 CE2 TYR A 29 18.457 19.173 -11.937 1.00 0.00 C ATOM 467 CZ TYR A 29 17.911 18.491 -10.872 1.00 0.00 C ATOM 468 OH TYR A 29 18.561 17.392 -10.359 1.00 0.00 O ATOM 0 H TYR A 29 13.756 21.755 -11.232 1.00 0.00 H new ATOM 0 HA TYR A 29 16.193 22.925 -10.605 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.990 21.580 -13.007 1.00 0.00 H new ATOM 0 HB3 TYR A 29 16.526 22.398 -13.210 1.00 0.00 H new ATOM 0 HD1 TYR A 29 15.136 20.327 -10.398 1.00 0.00 H new ATOM 0 HD2 TYR A 29 18.231 20.808 -13.286 1.00 0.00 H new ATOM 0 HE1 TYR A 29 16.295 18.366 -9.480 1.00 0.00 H new ATOM 0 HE2 TYR A 29 19.392 18.848 -12.369 1.00 0.00 H new ATOM 0 HH TYR A 29 19.386 17.234 -10.864 1.00 0.00 H new ATOM 478 N GLU A 30 14.963 24.424 -13.267 1.00 0.00 N ATOM 479 CA GLU A 30 14.890 25.690 -13.985 1.00 0.00 C ATOM 480 C GLU A 30 13.882 25.595 -15.124 1.00 0.00 C ATOM 481 O GLU A 30 13.170 24.599 -15.251 1.00 0.00 O ATOM 482 CB GLU A 30 16.266 26.070 -14.535 1.00 0.00 C ATOM 483 CG GLU A 30 16.741 27.442 -14.090 1.00 0.00 C ATOM 484 CD GLU A 30 17.853 27.369 -13.063 1.00 0.00 C ATOM 485 OE1 GLU A 30 18.819 26.609 -13.287 1.00 0.00 O ATOM 486 OE2 GLU A 30 17.761 28.074 -12.036 1.00 0.00 O ATOM 0 H GLU A 30 14.597 23.626 -13.786 1.00 0.00 H new ATOM 0 HA GLU A 30 14.564 26.463 -13.289 1.00 0.00 H new ATOM 0 HB2 GLU A 30 16.994 25.323 -14.219 1.00 0.00 H new ATOM 0 HB3 GLU A 30 16.233 26.042 -15.624 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.090 28.001 -14.958 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.900 27.995 -13.671 1.00 0.00 H new ATOM 493 N HIS A 31 13.826 26.630 -15.956 1.00 0.00 N ATOM 494 CA HIS A 31 12.902 26.641 -17.084 1.00 0.00 C ATOM 495 C HIS A 31 13.061 25.375 -17.914 1.00 0.00 C ATOM 496 O HIS A 31 12.098 24.878 -18.496 1.00 0.00 O ATOM 497 CB HIS A 31 13.134 27.878 -17.955 1.00 0.00 C ATOM 498 CG HIS A 31 12.880 29.168 -17.239 1.00 0.00 C ATOM 499 ND1 HIS A 31 11.683 29.849 -17.316 1.00 0.00 N ATOM 500 CD2 HIS A 31 13.676 29.901 -16.426 1.00 0.00 C ATOM 501 CE1 HIS A 31 11.755 30.945 -16.581 1.00 0.00 C ATOM 502 NE2 HIS A 31 12.953 31.000 -16.030 1.00 0.00 N ATOM 0 H HIS A 31 14.405 27.466 -15.872 1.00 0.00 H new ATOM 0 HA HIS A 31 11.885 26.677 -16.694 1.00 0.00 H new ATOM 0 HB2 HIS A 31 14.162 27.869 -18.318 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.486 27.823 -18.830 1.00 0.00 H new ATOM 0 HD2 HIS A 31 14.691 29.666 -16.141 1.00 0.00 H new ATOM 0 HE1 HIS A 31 10.967 31.672 -16.453 1.00 0.00 H new ATOM 0 HE2 HIS A 31 13.288 31.738 -15.411 1.00 0.00 H new ATOM 511 N ILE A 32 14.287 24.861 -17.943 1.00 0.00 N ATOM 512 CA ILE A 32 14.623 23.639 -18.679 1.00 0.00 C ATOM 513 C ILE A 32 13.830 23.513 -19.988 1.00 0.00 C ATOM 514 O ILE A 32 14.283 23.962 -21.041 1.00 0.00 O ATOM 515 CB ILE A 32 14.398 22.384 -17.799 1.00 0.00 C ATOM 516 CG1 ILE A 32 15.329 22.415 -16.586 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.613 21.104 -18.599 1.00 0.00 C ATOM 518 CD1 ILE A 32 15.086 21.288 -15.605 1.00 0.00 C ATOM 0 H ILE A 32 15.080 25.279 -17.456 1.00 0.00 H new ATOM 0 HA ILE A 32 15.680 23.708 -18.937 1.00 0.00 H new ATOM 0 HB ILE A 32 13.364 22.395 -17.453 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.362 22.369 -16.930 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.207 23.367 -16.070 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.448 20.240 -17.955 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.912 21.074 -19.433 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.633 21.081 -18.982 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.783 21.375 -14.771 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.064 21.345 -15.231 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.236 20.331 -16.105 1.00 0.00 H new ATOM 530 N ASP A 33 12.653 22.896 -19.912 1.00 0.00 N ATOM 531 CA ASP A 33 11.800 22.702 -21.079 1.00 0.00 C ATOM 532 C ASP A 33 10.669 21.737 -20.739 1.00 0.00 C ATOM 533 O ASP A 33 9.504 21.998 -21.036 1.00 0.00 O ATOM 534 CB ASP A 33 12.617 22.166 -22.260 1.00 0.00 C ATOM 535 CG ASP A 33 12.674 23.147 -23.415 1.00 0.00 C ATOM 536 OD1 ASP A 33 12.445 24.353 -23.181 1.00 0.00 O ATOM 537 OD2 ASP A 33 12.946 22.710 -24.552 1.00 0.00 O ATOM 0 H ASP A 33 12.267 22.520 -19.046 1.00 0.00 H new ATOM 0 HA ASP A 33 11.374 23.664 -21.365 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.630 21.943 -21.926 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.181 21.228 -22.604 1.00 0.00 H new ATOM 542 N HIS A 34 11.032 20.629 -20.096 1.00 0.00 N ATOM 543 CA HIS A 34 10.075 19.604 -19.676 1.00 0.00 C ATOM 544 C HIS A 34 8.945 19.403 -20.686 1.00 0.00 C ATOM 545 O HIS A 34 7.980 20.167 -20.716 1.00 0.00 O ATOM 546 CB HIS A 34 9.482 19.961 -18.311 1.00 0.00 C ATOM 547 CG HIS A 34 10.386 19.645 -17.160 1.00 0.00 C ATOM 548 ND1 HIS A 34 11.088 20.609 -16.466 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.697 18.465 -16.573 1.00 0.00 C ATOM 550 CE1 HIS A 34 11.790 20.034 -15.505 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.570 18.735 -15.550 1.00 0.00 N ATOM 0 H HIS A 34 11.999 20.415 -19.851 1.00 0.00 H new ATOM 0 HA HIS A 34 10.628 18.667 -19.611 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.246 21.025 -18.294 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.542 19.424 -18.181 1.00 0.00 H new ATOM 0 HD1 HIS A 34 11.068 21.609 -16.664 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.326 17.491 -16.858 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.434 20.542 -14.803 1.00 0.00 H new ATOM 560 N THR A 35 9.057 18.352 -21.489 1.00 0.00 N ATOM 561 CA THR A 35 8.031 18.033 -22.476 1.00 0.00 C ATOM 562 C THR A 35 6.983 17.119 -21.852 1.00 0.00 C ATOM 563 O THR A 35 7.307 16.283 -21.008 1.00 0.00 O ATOM 564 CB THR A 35 8.652 17.365 -23.702 1.00 0.00 C ATOM 565 OG1 THR A 35 9.626 18.207 -24.293 1.00 0.00 O ATOM 566 CG2 THR A 35 7.637 17.018 -24.770 1.00 0.00 C ATOM 0 H THR A 35 9.847 17.706 -21.477 1.00 0.00 H new ATOM 0 HA THR A 35 7.553 18.959 -22.797 1.00 0.00 H new ATOM 0 HB THR A 35 9.100 16.442 -23.333 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.013 17.761 -25.075 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.142 16.547 -25.613 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.898 16.330 -24.360 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.139 17.927 -25.108 1.00 0.00 H new ATOM 574 N PHE A 36 5.726 17.286 -22.248 1.00 0.00 N ATOM 575 CA PHE A 36 4.652 16.471 -21.691 1.00 0.00 C ATOM 576 C PHE A 36 3.901 15.694 -22.768 1.00 0.00 C ATOM 577 O PHE A 36 3.731 16.167 -23.891 1.00 0.00 O ATOM 578 CB PHE A 36 3.669 17.349 -20.917 1.00 0.00 C ATOM 579 CG PHE A 36 4.314 18.189 -19.855 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.744 17.616 -18.670 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.488 19.551 -20.041 1.00 0.00 C ATOM 582 CE1 PHE A 36 5.336 18.385 -17.687 1.00 0.00 C ATOM 583 CE2 PHE A 36 5.078 20.327 -19.060 1.00 0.00 C ATOM 584 CZ PHE A 36 5.504 19.741 -17.882 1.00 0.00 C ATOM 0 H PHE A 36 5.428 17.969 -22.944 1.00 0.00 H new ATOM 0 HA PHE A 36 5.114 15.749 -21.018 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.150 18.002 -21.618 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.914 16.713 -20.455 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.615 16.555 -18.512 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.160 20.011 -20.961 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.667 17.926 -16.767 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.206 21.388 -19.214 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.968 20.344 -17.115 1.00 0.00 H new ATOM 594 N GLU A 37 3.435 14.502 -22.399 1.00 0.00 N ATOM 595 CA GLU A 37 2.678 13.652 -23.310 1.00 0.00 C ATOM 596 C GLU A 37 1.316 13.326 -22.706 1.00 0.00 C ATOM 597 O GLU A 37 1.192 12.430 -21.872 1.00 0.00 O ATOM 598 CB GLU A 37 3.449 12.363 -23.606 1.00 0.00 C ATOM 599 CG GLU A 37 3.926 12.261 -25.045 1.00 0.00 C ATOM 600 CD GLU A 37 2.932 11.546 -25.940 1.00 0.00 C ATOM 601 OE1 GLU A 37 2.202 10.668 -25.433 1.00 0.00 O ATOM 602 OE2 GLU A 37 2.882 11.863 -27.147 1.00 0.00 O ATOM 0 H GLU A 37 3.571 14.103 -21.470 1.00 0.00 H new ATOM 0 HA GLU A 37 2.531 14.188 -24.248 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.310 12.303 -22.941 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.812 11.508 -23.381 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.106 13.262 -25.436 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.879 11.732 -25.071 1.00 0.00 H new ATOM 609 N ILE A 38 0.300 14.073 -23.123 1.00 0.00 N ATOM 610 CA ILE A 38 -1.055 13.883 -22.614 1.00 0.00 C ATOM 611 C ILE A 38 -1.864 12.946 -23.499 1.00 0.00 C ATOM 612 O ILE A 38 -1.661 12.891 -24.710 1.00 0.00 O ATOM 613 CB ILE A 38 -1.803 15.228 -22.519 1.00 0.00 C ATOM 614 CG1 ILE A 38 -0.895 16.307 -21.939 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.068 15.093 -21.687 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.686 17.473 -22.875 1.00 0.00 C ATOM 0 H ILE A 38 0.389 14.818 -23.814 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.954 13.442 -21.623 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.092 15.523 -23.528 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.324 16.671 -21.005 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.072 15.867 -21.695 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.575 16.057 -21.637 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.729 14.358 -22.147 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.808 14.767 -20.680 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.031 18.205 -22.403 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.229 17.120 -23.800 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.647 17.937 -23.099 1.00 0.00 H new ATOM 628 N GLN A 39 -2.797 12.227 -22.884 1.00 0.00 N ATOM 629 CA GLN A 39 -3.665 11.304 -23.607 1.00 0.00 C ATOM 630 C GLN A 39 -4.951 11.076 -22.819 1.00 0.00 C ATOM 631 O GLN A 39 -4.912 10.729 -21.638 1.00 0.00 O ATOM 632 CB GLN A 39 -2.948 9.978 -23.874 1.00 0.00 C ATOM 633 CG GLN A 39 -2.761 9.115 -22.638 1.00 0.00 C ATOM 634 CD GLN A 39 -2.199 7.744 -22.963 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.595 6.742 -22.368 1.00 0.00 O ATOM 636 NE2 GLN A 39 -1.271 7.691 -23.913 1.00 0.00 N ATOM 0 H GLN A 39 -2.972 12.266 -21.880 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.919 11.745 -24.571 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.514 9.414 -24.616 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.971 10.187 -24.310 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.092 9.622 -21.943 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.719 9.000 -22.131 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.971 8.546 -24.381 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.859 6.795 -24.174 1.00 0.00 H new ATOM 645 N TYR A 40 -6.090 11.302 -23.466 1.00 0.00 N ATOM 646 CA TYR A 40 -7.384 11.148 -22.805 1.00 0.00 C ATOM 647 C TYR A 40 -8.253 10.095 -23.486 1.00 0.00 C ATOM 648 O TYR A 40 -8.839 10.346 -24.538 1.00 0.00 O ATOM 649 CB TYR A 40 -8.124 12.486 -22.776 1.00 0.00 C ATOM 650 CG TYR A 40 -7.873 13.350 -23.994 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.649 13.977 -24.184 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.862 13.539 -24.949 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.418 14.769 -25.294 1.00 0.00 C ATOM 654 CE2 TYR A 40 -8.639 14.329 -26.061 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.417 14.941 -26.229 1.00 0.00 C ATOM 656 OH TYR A 40 -7.191 15.729 -27.335 1.00 0.00 O ATOM 0 H TYR A 40 -6.145 11.591 -24.443 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.190 10.812 -21.786 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -9.194 12.297 -22.691 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.825 13.036 -21.884 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.865 13.844 -23.453 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.822 13.061 -24.821 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.460 15.250 -25.428 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.420 14.466 -26.795 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.995 15.745 -27.895 1.00 0.00 H new ATOM 666 N ARG A 41 -8.346 8.923 -22.865 1.00 0.00 N ATOM 667 CA ARG A 41 -9.163 7.837 -23.397 1.00 0.00 C ATOM 668 C ARG A 41 -10.534 7.844 -22.731 1.00 0.00 C ATOM 669 O ARG A 41 -10.966 8.867 -22.201 1.00 0.00 O ATOM 670 CB ARG A 41 -8.465 6.488 -23.191 1.00 0.00 C ATOM 671 CG ARG A 41 -8.508 5.971 -21.761 1.00 0.00 C ATOM 672 CD ARG A 41 -8.860 4.495 -21.715 1.00 0.00 C ATOM 673 NE ARG A 41 -8.869 3.978 -20.350 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.461 2.843 -19.998 1.00 0.00 C ATOM 675 NH1 ARG A 41 -10.087 2.109 -20.908 1.00 0.00 N ATOM 676 NH2 ARG A 41 -9.425 2.439 -18.737 1.00 0.00 N ATOM 0 H ARG A 41 -7.866 8.701 -21.993 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.295 7.987 -24.468 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.928 5.749 -23.846 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.424 6.580 -23.500 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.540 6.131 -21.286 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.241 6.539 -21.189 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.840 4.342 -22.167 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.142 3.932 -22.311 1.00 0.00 H new ATOM 0 HE ARG A 41 -8.394 4.518 -19.627 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -10.114 2.416 -21.880 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.541 1.237 -20.636 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.942 3.000 -18.035 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.880 1.567 -18.468 1.00 0.00 H new ATOM 690 N LYS A 42 -11.219 6.705 -22.751 1.00 0.00 N ATOM 691 CA LYS A 42 -12.541 6.618 -22.139 1.00 0.00 C ATOM 692 C LYS A 42 -12.819 5.232 -21.587 1.00 0.00 C ATOM 693 O LYS A 42 -12.198 4.249 -21.991 1.00 0.00 O ATOM 694 CB LYS A 42 -13.627 6.978 -23.153 1.00 0.00 C ATOM 695 CG LYS A 42 -13.194 8.015 -24.165 1.00 0.00 C ATOM 696 CD LYS A 42 -14.166 8.100 -25.332 1.00 0.00 C ATOM 697 CE LYS A 42 -13.595 7.454 -26.583 1.00 0.00 C ATOM 698 NZ LYS A 42 -13.306 8.455 -27.646 1.00 0.00 N ATOM 0 H LYS A 42 -10.887 5.840 -23.178 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.555 7.329 -21.313 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.933 6.074 -23.680 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.502 7.348 -22.619 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.121 8.989 -23.680 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.199 7.768 -24.537 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.102 7.610 -25.063 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.400 9.145 -25.536 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.679 6.920 -26.329 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.300 6.715 -26.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.918 7.972 -28.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.184 8.947 -27.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.614 9.146 -27.293 1.00 0.00 H new ATOM 712 N ASP A 43 -13.785 5.161 -20.680 1.00 0.00 N ATOM 713 CA ASP A 43 -14.181 3.896 -20.089 1.00 0.00 C ATOM 714 C ASP A 43 -14.797 2.991 -21.157 1.00 0.00 C ATOM 715 O ASP A 43 -14.953 1.788 -20.947 1.00 0.00 O ATOM 716 CB ASP A 43 -15.176 4.137 -18.949 1.00 0.00 C ATOM 717 CG ASP A 43 -15.813 2.856 -18.442 1.00 0.00 C ATOM 718 OD1 ASP A 43 -15.064 1.925 -18.079 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.059 2.785 -18.410 1.00 0.00 O ATOM 0 H ASP A 43 -14.308 5.968 -20.339 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.300 3.402 -19.680 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.664 4.633 -18.125 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -15.958 4.815 -19.293 1.00 0.00 H new ATOM 724 N THR A 44 -15.140 3.577 -22.309 1.00 0.00 N ATOM 725 CA THR A 44 -15.729 2.814 -23.403 1.00 0.00 C ATOM 726 C THR A 44 -14.663 2.438 -24.427 1.00 0.00 C ATOM 727 O THR A 44 -14.639 1.313 -24.926 1.00 0.00 O ATOM 728 CB THR A 44 -16.841 3.618 -24.079 1.00 0.00 C ATOM 729 OG1 THR A 44 -17.812 4.025 -23.132 1.00 0.00 O ATOM 730 CG2 THR A 44 -17.555 2.848 -25.169 1.00 0.00 C ATOM 0 H THR A 44 -15.019 4.571 -22.503 1.00 0.00 H new ATOM 0 HA THR A 44 -16.157 1.901 -22.990 1.00 0.00 H new ATOM 0 HB THR A 44 -16.345 4.478 -24.529 1.00 0.00 H new ATOM 0 HG1 THR A 44 -18.514 4.539 -23.583 1.00 0.00 H new ATOM 0 HG21 THR A 44 -18.332 3.474 -25.608 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.840 2.562 -25.941 1.00 0.00 H new ATOM 0 HG23 THR A 44 -18.008 1.952 -24.745 1.00 0.00 H new ATOM 738 N ALA A 45 -13.782 3.385 -24.733 1.00 0.00 N ATOM 739 CA ALA A 45 -12.713 3.146 -25.697 1.00 0.00 C ATOM 740 C ALA A 45 -11.404 2.816 -24.992 1.00 0.00 C ATOM 741 O ALA A 45 -11.320 2.851 -23.765 1.00 0.00 O ATOM 742 CB ALA A 45 -12.534 4.354 -26.601 1.00 0.00 C ATOM 0 H ALA A 45 -13.787 4.322 -24.329 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.996 2.289 -26.308 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.733 4.159 -27.314 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.462 4.545 -27.141 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.279 5.225 -25.998 1.00 0.00 H new ATOM 748 N THR A 46 -10.382 2.496 -25.777 1.00 0.00 N ATOM 749 CA THR A 46 -9.074 2.162 -25.230 1.00 0.00 C ATOM 750 C THR A 46 -8.108 3.331 -25.385 1.00 0.00 C ATOM 751 O THR A 46 -8.393 4.294 -26.096 1.00 0.00 O ATOM 752 CB THR A 46 -8.510 0.921 -25.923 1.00 0.00 C ATOM 753 OG1 THR A 46 -8.495 1.095 -27.329 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.291 -0.339 -25.623 1.00 0.00 C ATOM 0 H THR A 46 -10.435 2.461 -26.795 1.00 0.00 H new ATOM 0 HA THR A 46 -9.193 1.951 -24.167 1.00 0.00 H new ATOM 0 HB THR A 46 -7.500 0.804 -25.529 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.129 0.291 -27.754 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.838 -1.181 -26.146 1.00 0.00 H new ATOM 0 HG22 THR A 46 -9.278 -0.528 -24.550 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.321 -0.217 -25.957 1.00 0.00 H new ATOM 762 N TRP A 47 -6.965 3.239 -24.715 1.00 0.00 N ATOM 763 CA TRP A 47 -5.958 4.289 -24.780 1.00 0.00 C ATOM 764 C TRP A 47 -5.465 4.478 -26.212 1.00 0.00 C ATOM 765 O TRP A 47 -5.006 5.558 -26.584 1.00 0.00 O ATOM 766 CB TRP A 47 -4.784 3.958 -23.857 1.00 0.00 C ATOM 767 CG TRP A 47 -5.142 4.005 -22.403 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.378 2.940 -21.581 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.309 5.177 -21.598 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.681 3.379 -20.315 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.646 4.749 -20.300 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.207 6.549 -21.848 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.880 5.642 -19.257 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.440 7.435 -20.813 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.772 6.978 -19.531 1.00 0.00 C ATOM 0 H TRP A 47 -6.714 2.449 -24.121 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.415 5.221 -24.448 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.409 2.964 -24.100 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -3.972 4.660 -24.047 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.333 1.904 -21.882 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.897 2.782 -19.516 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.951 6.910 -22.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.137 5.292 -18.268 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.365 8.497 -20.996 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.946 7.695 -18.743 1.00 0.00 H new ATOM 786 N LYS A 48 -5.567 3.422 -27.013 1.00 0.00 N ATOM 787 CA LYS A 48 -5.138 3.476 -28.408 1.00 0.00 C ATOM 788 C LYS A 48 -6.040 4.410 -29.208 1.00 0.00 C ATOM 789 O LYS A 48 -5.586 5.107 -30.115 1.00 0.00 O ATOM 790 CB LYS A 48 -5.155 2.076 -29.025 1.00 0.00 C ATOM 791 CG LYS A 48 -4.041 1.173 -28.521 1.00 0.00 C ATOM 792 CD LYS A 48 -4.579 -0.173 -28.063 1.00 0.00 C ATOM 793 CE LYS A 48 -3.454 -1.133 -27.710 1.00 0.00 C ATOM 794 NZ LYS A 48 -3.747 -1.896 -26.466 1.00 0.00 N ATOM 0 H LYS A 48 -5.942 2.519 -26.721 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.119 3.862 -28.439 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.115 1.607 -28.813 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.076 2.165 -30.109 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.307 1.022 -29.313 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.523 1.659 -27.694 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.224 -0.032 -27.196 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.195 -0.607 -28.851 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.298 -1.829 -28.535 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.526 -0.575 -27.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.957 -2.539 -26.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.871 -1.234 -25.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.619 -2.449 -26.595 1.00 0.00 H new ATOM 808 N ASP A 49 -7.321 4.416 -28.857 1.00 0.00 N ATOM 809 CA ASP A 49 -8.303 5.263 -29.527 1.00 0.00 C ATOM 810 C ASP A 49 -8.263 6.691 -28.986 1.00 0.00 C ATOM 811 O ASP A 49 -8.802 7.612 -29.601 1.00 0.00 O ATOM 812 CB ASP A 49 -9.705 4.682 -29.337 1.00 0.00 C ATOM 813 CG ASP A 49 -10.604 4.925 -30.535 1.00 0.00 C ATOM 814 OD1 ASP A 49 -10.177 4.620 -31.668 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.734 5.417 -30.337 1.00 0.00 O ATOM 0 H ASP A 49 -7.706 3.841 -28.108 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.056 5.292 -30.588 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.629 3.610 -29.156 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.160 5.123 -28.450 1.00 0.00 H new ATOM 820 N SER A 50 -7.635 6.867 -27.828 1.00 0.00 N ATOM 821 CA SER A 50 -7.535 8.176 -27.196 1.00 0.00 C ATOM 822 C SER A 50 -6.717 9.149 -28.036 1.00 0.00 C ATOM 823 O SER A 50 -5.973 8.746 -28.930 1.00 0.00 O ATOM 824 CB SER A 50 -6.905 8.039 -25.812 1.00 0.00 C ATOM 825 OG SER A 50 -5.507 7.827 -25.906 1.00 0.00 O ATOM 0 H SER A 50 -7.186 6.114 -27.306 1.00 0.00 H new ATOM 0 HA SER A 50 -8.545 8.577 -27.106 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.101 8.939 -25.229 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.367 7.208 -25.280 1.00 0.00 H new ATOM 0 HG SER A 50 -5.314 6.871 -25.814 1.00 0.00 H new ATOM 831 N LYS A 51 -6.855 10.433 -27.724 1.00 0.00 N ATOM 832 CA LYS A 51 -6.125 11.479 -28.427 1.00 0.00 C ATOM 833 C LYS A 51 -4.923 11.917 -27.604 1.00 0.00 C ATOM 834 O LYS A 51 -5.070 12.552 -26.560 1.00 0.00 O ATOM 835 CB LYS A 51 -7.038 12.672 -28.699 1.00 0.00 C ATOM 836 CG LYS A 51 -7.520 12.750 -30.136 1.00 0.00 C ATOM 837 CD LYS A 51 -7.075 14.040 -30.804 1.00 0.00 C ATOM 838 CE LYS A 51 -7.840 14.292 -32.093 1.00 0.00 C ATOM 839 NZ LYS A 51 -6.931 14.629 -33.224 1.00 0.00 N ATOM 0 H LYS A 51 -7.469 10.775 -26.985 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.776 11.083 -29.381 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.902 12.617 -28.037 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -6.506 13.591 -28.452 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.136 11.898 -30.696 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.608 12.683 -30.160 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.226 14.876 -30.121 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.007 13.991 -31.017 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.423 13.407 -32.348 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -8.548 15.107 -31.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -7.493 14.793 -34.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.393 15.488 -32.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.272 13.841 -33.386 1.00 0.00 H new ATOM 853 N THR A 52 -3.735 11.561 -28.069 1.00 0.00 N ATOM 854 CA THR A 52 -2.508 11.904 -27.363 1.00 0.00 C ATOM 855 C THR A 52 -1.978 13.270 -27.789 1.00 0.00 C ATOM 856 O THR A 52 -1.607 13.468 -28.947 1.00 0.00 O ATOM 857 CB THR A 52 -1.441 10.836 -27.608 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.855 9.584 -27.091 1.00 0.00 O ATOM 859 CG2 THR A 52 -0.104 11.172 -26.983 1.00 0.00 C ATOM 0 H THR A 52 -3.594 11.035 -28.931 1.00 0.00 H new ATOM 0 HA THR A 52 -2.741 11.948 -26.299 1.00 0.00 H new ATOM 0 HB THR A 52 -1.318 10.794 -28.690 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.160 8.914 -27.259 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.607 10.374 -27.194 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.267 12.108 -27.399 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.222 11.276 -25.904 1.00 0.00 H new ATOM 867 N GLU A 53 -1.928 14.207 -26.845 1.00 0.00 N ATOM 868 CA GLU A 53 -1.423 15.546 -27.127 1.00 0.00 C ATOM 869 C GLU A 53 0.072 15.616 -26.853 1.00 0.00 C ATOM 870 O GLU A 53 0.594 14.889 -26.006 1.00 0.00 O ATOM 871 CB GLU A 53 -2.149 16.602 -26.288 1.00 0.00 C ATOM 872 CG GLU A 53 -3.598 16.812 -26.697 1.00 0.00 C ATOM 873 CD GLU A 53 -3.835 18.163 -27.344 1.00 0.00 C ATOM 874 OE1 GLU A 53 -2.850 18.899 -27.566 1.00 0.00 O ATOM 875 OE2 GLU A 53 -5.008 18.486 -27.629 1.00 0.00 O ATOM 0 H GLU A 53 -2.230 14.063 -25.881 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.609 15.755 -28.181 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.115 16.307 -25.239 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.616 17.549 -26.370 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.893 16.025 -27.391 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.236 16.718 -25.818 1.00 0.00 H new ATOM 882 N THR A 54 0.753 16.494 -27.573 1.00 0.00 N ATOM 883 CA THR A 54 2.190 16.660 -27.415 1.00 0.00 C ATOM 884 C THR A 54 2.545 18.128 -27.221 1.00 0.00 C ATOM 885 O THR A 54 2.755 18.860 -28.189 1.00 0.00 O ATOM 886 CB THR A 54 2.924 16.100 -28.632 1.00 0.00 C ATOM 887 OG1 THR A 54 2.010 15.792 -29.670 1.00 0.00 O ATOM 888 CG2 THR A 54 3.714 14.845 -28.327 1.00 0.00 C ATOM 0 H THR A 54 0.333 17.104 -28.274 1.00 0.00 H new ATOM 0 HA THR A 54 2.502 16.109 -26.528 1.00 0.00 H new ATOM 0 HB THR A 54 3.619 16.882 -28.938 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.499 15.436 -30.441 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.211 14.499 -29.233 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.461 15.062 -27.564 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.039 14.069 -27.964 1.00 0.00 H new ATOM 896 N LEU A 55 2.603 18.554 -25.966 1.00 0.00 N ATOM 897 CA LEU A 55 2.925 19.937 -25.648 1.00 0.00 C ATOM 898 C LEU A 55 4.137 20.026 -24.727 1.00 0.00 C ATOM 899 O LEU A 55 4.302 19.212 -23.818 1.00 0.00 O ATOM 900 CB LEU A 55 1.724 20.622 -24.999 1.00 0.00 C ATOM 901 CG LEU A 55 0.835 19.707 -24.170 1.00 0.00 C ATOM 902 CD1 LEU A 55 1.584 19.288 -22.918 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.471 20.407 -23.832 1.00 0.00 C ATOM 0 H LEU A 55 2.431 17.962 -25.153 1.00 0.00 H new ATOM 0 HA LEU A 55 3.170 20.447 -26.580 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.085 21.429 -24.361 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.119 21.081 -25.781 1.00 0.00 H new ATOM 0 HG LEU A 55 0.586 18.813 -24.742 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.953 18.632 -22.319 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.494 18.758 -23.199 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.843 20.172 -22.336 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.098 19.741 -23.239 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.262 21.312 -23.262 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.992 20.670 -24.753 1.00 0.00 H new ATOM 915 N GLN A 56 4.981 21.024 -24.970 1.00 0.00 N ATOM 916 CA GLN A 56 6.177 21.229 -24.164 1.00 0.00 C ATOM 917 C GLN A 56 6.109 22.567 -23.438 1.00 0.00 C ATOM 918 O GLN A 56 5.572 23.543 -23.963 1.00 0.00 O ATOM 919 CB GLN A 56 7.430 21.171 -25.040 1.00 0.00 C ATOM 920 CG GLN A 56 7.522 22.302 -26.050 1.00 0.00 C ATOM 921 CD GLN A 56 8.072 21.844 -27.386 1.00 0.00 C ATOM 922 OE1 GLN A 56 7.617 22.283 -28.442 1.00 0.00 O ATOM 923 NE2 GLN A 56 9.058 20.954 -27.346 1.00 0.00 N ATOM 0 H GLN A 56 4.857 21.704 -25.720 1.00 0.00 H new ATOM 0 HA GLN A 56 6.230 20.431 -23.423 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.312 21.195 -24.400 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.448 20.219 -25.571 1.00 0.00 H new ATOM 0 HG2 GLN A 56 6.532 22.735 -26.197 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.159 23.091 -25.650 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.405 20.617 -26.448 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.468 20.608 -28.213 1.00 0.00 H new ATOM 932 N ASN A 57 6.650 22.608 -22.227 1.00 0.00 N ATOM 933 CA ASN A 57 6.643 23.828 -21.429 1.00 0.00 C ATOM 934 C ASN A 57 5.213 24.279 -21.128 1.00 0.00 C ATOM 935 O ASN A 57 4.986 25.429 -20.750 1.00 0.00 O ATOM 936 CB ASN A 57 7.393 24.942 -22.161 1.00 0.00 C ATOM 937 CG ASN A 57 8.894 24.730 -22.151 1.00 0.00 C ATOM 938 OD1 ASN A 57 9.608 25.305 -21.330 1.00 0.00 O ATOM 939 ND2 ASN A 57 9.379 23.902 -23.067 1.00 0.00 N ATOM 0 H ASN A 57 7.099 21.811 -21.776 1.00 0.00 H new ATOM 0 HA ASN A 57 7.144 23.616 -20.485 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.043 24.996 -23.192 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.161 25.900 -21.695 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.382 23.720 -23.110 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.749 23.447 -23.728 1.00 0.00 H new ATOM 946 N ALA A 58 4.254 23.371 -21.295 1.00 0.00 N ATOM 947 CA ALA A 58 2.854 23.684 -21.037 1.00 0.00 C ATOM 948 C ALA A 58 2.425 23.172 -19.667 1.00 0.00 C ATOM 949 O ALA A 58 3.134 22.383 -19.042 1.00 0.00 O ATOM 950 CB ALA A 58 1.970 23.091 -22.125 1.00 0.00 C ATOM 0 H ALA A 58 4.422 22.415 -21.607 1.00 0.00 H new ATOM 0 HA ALA A 58 2.741 24.768 -21.045 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.927 23.333 -21.919 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.255 23.506 -23.092 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.094 22.008 -22.145 1.00 0.00 H new ATOM 956 N HIS A 59 1.264 23.623 -19.205 1.00 0.00 N ATOM 957 CA HIS A 59 0.753 23.203 -17.908 1.00 0.00 C ATOM 958 C HIS A 59 -0.747 22.929 -17.965 1.00 0.00 C ATOM 959 O HIS A 59 -1.431 22.968 -16.943 1.00 0.00 O ATOM 960 CB HIS A 59 1.055 24.263 -16.847 1.00 0.00 C ATOM 961 CG HIS A 59 2.366 24.049 -16.156 1.00 0.00 C ATOM 962 ND1 HIS A 59 3.088 22.920 -15.961 1.00 0.00 N flip ATOM 963 CD2 HIS A 59 3.090 25.069 -15.574 1.00 0.00 C flip ATOM 964 CE1 HIS A 59 4.223 23.275 -15.275 1.00 0.00 C flip ATOM 965 NE2 HIS A 59 4.201 24.576 -15.055 1.00 0.00 N flip ATOM 0 H HIS A 59 0.663 24.276 -19.707 1.00 0.00 H new ATOM 0 HA HIS A 59 1.256 22.275 -17.636 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.055 25.247 -17.316 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.256 24.263 -16.105 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.795 26.108 -15.547 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.007 22.599 -14.966 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.920 25.111 -14.567 1.00 0.00 H new ATOM 974 N SER A 60 -1.255 22.647 -19.163 1.00 0.00 N ATOM 975 CA SER A 60 -2.677 22.360 -19.338 1.00 0.00 C ATOM 976 C SER A 60 -3.042 22.228 -20.814 1.00 0.00 C ATOM 977 O SER A 60 -2.259 22.585 -21.694 1.00 0.00 O ATOM 978 CB SER A 60 -3.525 23.457 -18.690 1.00 0.00 C ATOM 979 OG SER A 60 -2.934 24.733 -18.870 1.00 0.00 O ATOM 0 H SER A 60 -0.707 22.611 -20.022 1.00 0.00 H new ATOM 0 HA SER A 60 -2.884 21.408 -18.850 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.525 23.452 -19.124 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.638 23.252 -17.625 1.00 0.00 H new ATOM 0 HG SER A 60 -3.496 25.416 -18.448 1.00 0.00 H new ATOM 985 N MET A 61 -4.242 21.714 -21.074 1.00 0.00 N ATOM 986 CA MET A 61 -4.724 21.533 -22.438 1.00 0.00 C ATOM 987 C MET A 61 -6.246 21.610 -22.479 1.00 0.00 C ATOM 988 O MET A 61 -6.922 21.225 -21.525 1.00 0.00 O ATOM 989 CB MET A 61 -4.254 20.188 -22.994 1.00 0.00 C ATOM 990 CG MET A 61 -4.841 19.852 -24.355 1.00 0.00 C ATOM 991 SD MET A 61 -6.125 18.589 -24.265 1.00 0.00 S ATOM 992 CE MET A 61 -5.281 17.317 -23.329 1.00 0.00 C ATOM 0 H MET A 61 -4.899 21.415 -20.354 1.00 0.00 H new ATOM 0 HA MET A 61 -4.315 22.332 -23.056 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.167 20.196 -23.069 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.520 19.400 -22.289 1.00 0.00 H new ATOM 0 HG2 MET A 61 -5.257 20.756 -24.800 1.00 0.00 H new ATOM 0 HG3 MET A 61 -4.045 19.509 -25.015 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.848 16.388 -23.385 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.285 17.160 -23.744 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.196 17.628 -22.288 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.781 22.108 -23.588 1.00 0.00 N ATOM 1003 CA ALA A 62 -8.223 22.233 -23.748 1.00 0.00 C ATOM 1004 C ALA A 62 -8.781 21.071 -24.560 1.00 0.00 C ATOM 1005 O ALA A 62 -8.957 21.183 -25.773 1.00 0.00 O ATOM 1006 CB ALA A 62 -8.567 23.558 -24.410 1.00 0.00 C ATOM 0 H ALA A 62 -6.238 22.431 -24.388 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.681 22.207 -22.759 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.648 23.638 -24.523 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -8.205 24.379 -23.791 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.095 23.608 -25.391 1.00 0.00 H new ATOM 1012 N LEU A 63 -9.055 19.954 -23.882 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.593 18.757 -24.536 1.00 0.00 C ATOM 1014 C LEU A 63 -10.624 19.121 -25.606 1.00 0.00 C ATOM 1015 O LEU A 63 -11.781 19.405 -25.293 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.233 17.830 -23.502 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.272 17.246 -22.467 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -10.014 16.907 -21.184 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.574 16.016 -23.024 1.00 0.00 C ATOM 0 H LEU A 63 -8.913 19.853 -22.877 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.762 18.244 -25.020 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.014 18.381 -22.978 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.720 17.008 -24.027 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.514 17.995 -22.237 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.315 16.492 -20.458 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.467 17.811 -20.776 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.793 16.175 -21.397 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.893 15.613 -22.274 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.317 15.262 -23.282 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.010 16.290 -23.916 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.211 19.135 -26.886 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.100 19.487 -27.991 1.00 0.00 C ATOM 1033 C PRO A 64 -12.048 18.360 -28.403 1.00 0.00 C ATOM 1034 O PRO A 64 -13.262 18.474 -28.242 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.137 19.825 -29.130 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.875 19.083 -28.829 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.842 18.832 -27.342 1.00 0.00 C ATOM 0 HA PRO A 64 -11.767 20.303 -27.713 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.548 19.522 -30.093 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.956 20.899 -29.184 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.843 18.142 -29.378 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.006 19.663 -29.140 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.569 17.801 -27.120 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.109 19.470 -26.848 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.496 17.287 -28.959 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.308 16.164 -29.420 1.00 0.00 C ATOM 1047 C ALA A 65 -12.522 15.109 -28.336 1.00 0.00 C ATOM 1048 O ALA A 65 -11.649 14.279 -28.082 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.670 15.531 -30.647 1.00 0.00 C ATOM 0 H ALA A 65 -10.493 17.170 -29.102 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.290 16.561 -29.677 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.282 14.694 -30.984 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.598 16.272 -31.443 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.672 15.172 -30.394 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.704 15.129 -27.724 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.055 14.154 -26.695 1.00 0.00 C ATOM 1057 C LEU A 66 -15.429 13.551 -26.989 1.00 0.00 C ATOM 1058 O LEU A 66 -15.946 13.686 -28.098 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.052 14.790 -25.299 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.810 15.612 -24.942 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.750 15.848 -23.439 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.545 14.915 -25.419 1.00 0.00 C ATOM 0 H LEU A 66 -14.436 15.811 -27.924 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.303 13.365 -26.710 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.927 15.434 -25.212 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.164 13.997 -24.559 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.879 16.575 -25.447 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.863 16.433 -23.198 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.640 16.390 -23.120 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.704 14.890 -22.922 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.676 15.517 -25.154 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.467 13.937 -24.944 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.584 14.790 -26.501 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.017 12.887 -25.996 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.333 12.272 -26.164 1.00 0.00 C ATOM 1076 C GLU A 67 -18.250 12.611 -24.987 1.00 0.00 C ATOM 1077 O GLU A 67 -18.044 12.128 -23.874 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.199 10.751 -26.290 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.699 10.205 -27.618 1.00 0.00 C ATOM 1080 CD GLU A 67 -18.538 8.951 -27.457 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -19.557 9.005 -26.735 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -18.176 7.915 -28.053 1.00 0.00 O ATOM 0 H GLU A 67 -15.606 12.761 -25.071 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.775 12.671 -27.077 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.152 10.475 -26.164 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.753 10.277 -25.480 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.290 10.970 -28.121 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.846 9.987 -28.261 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.284 13.444 -25.215 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.228 13.830 -24.160 1.00 0.00 C ATOM 1091 C PRO A 68 -21.041 12.643 -23.656 1.00 0.00 C ATOM 1092 O PRO A 68 -21.271 11.682 -24.389 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.142 14.851 -24.844 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.018 14.564 -26.300 1.00 0.00 C ATOM 1095 CD PRO A 68 -19.616 14.066 -26.508 1.00 0.00 C ATOM 0 HA PRO A 68 -19.716 14.224 -23.282 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.173 14.745 -24.507 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -20.835 15.871 -24.615 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -21.747 13.817 -26.614 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -21.205 15.460 -26.891 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -19.561 13.348 -27.326 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -18.932 14.879 -26.751 1.00 0.00 H new ATOM 1103 N SER A 69 -21.473 12.713 -22.401 1.00 0.00 N ATOM 1104 CA SER A 69 -22.256 11.637 -21.805 1.00 0.00 C ATOM 1105 C SER A 69 -21.452 10.344 -21.776 1.00 0.00 C ATOM 1106 O SER A 69 -21.959 9.276 -22.121 1.00 0.00 O ATOM 1107 CB SER A 69 -23.553 11.428 -22.589 1.00 0.00 C ATOM 1108 OG SER A 69 -24.657 11.271 -21.716 1.00 0.00 O ATOM 0 H SER A 69 -21.295 13.501 -21.779 1.00 0.00 H new ATOM 0 HA SER A 69 -22.502 11.918 -20.781 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.725 12.279 -23.248 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.460 10.547 -23.224 1.00 0.00 H new ATOM 0 HG SER A 69 -25.474 11.141 -22.242 1.00 0.00 H new ATOM 1114 N THR A 70 -20.193 10.450 -21.367 1.00 0.00 N ATOM 1115 CA THR A 70 -19.312 9.292 -21.297 1.00 0.00 C ATOM 1116 C THR A 70 -18.143 9.553 -20.356 1.00 0.00 C ATOM 1117 O THR A 70 -17.827 10.702 -20.046 1.00 0.00 O ATOM 1118 CB THR A 70 -18.782 8.947 -22.691 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.842 8.581 -23.555 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.781 7.814 -22.684 1.00 0.00 C ATOM 0 H THR A 70 -19.760 11.327 -21.079 1.00 0.00 H new ATOM 0 HA THR A 70 -19.889 8.452 -20.910 1.00 0.00 H new ATOM 0 HB THR A 70 -18.283 9.850 -23.043 1.00 0.00 H new ATOM 0 HG1 THR A 70 -20.661 8.454 -23.032 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.445 7.619 -23.702 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.926 8.088 -22.066 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.250 6.917 -22.279 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.496 8.481 -19.911 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.352 8.598 -19.016 1.00 0.00 C ATOM 1130 C ARG A 71 -15.098 8.949 -19.807 1.00 0.00 C ATOM 1131 O ARG A 71 -15.070 8.809 -21.029 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.135 7.293 -18.248 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.440 7.404 -16.764 1.00 0.00 C ATOM 1134 CD ARG A 71 -15.848 6.240 -15.987 1.00 0.00 C ATOM 1135 NE ARG A 71 -16.743 5.087 -15.959 1.00 0.00 N ATOM 1136 CZ ARG A 71 -17.724 4.933 -15.073 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -17.940 5.856 -14.145 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -18.494 3.855 -15.116 1.00 0.00 N ATOM 0 H ARG A 71 -17.745 7.522 -20.156 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.556 9.395 -18.301 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.764 6.516 -18.683 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.101 6.974 -18.375 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.040 8.342 -16.378 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.519 7.432 -16.614 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.898 5.950 -16.436 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.634 6.557 -14.966 1.00 0.00 H new ATOM 0 HE ARG A 71 -16.609 4.357 -16.659 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.353 6.689 -14.108 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.693 5.733 -13.469 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.335 3.143 -15.829 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.246 3.738 -14.437 1.00 0.00 H new ATOM 1152 N TYR A 72 -14.064 9.404 -19.111 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.819 9.766 -19.773 1.00 0.00 C ATOM 1154 C TYR A 72 -11.620 9.611 -18.847 1.00 0.00 C ATOM 1155 O TYR A 72 -11.517 10.282 -17.821 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.896 11.199 -20.303 1.00 0.00 C ATOM 1157 CG TYR A 72 -13.046 11.260 -21.804 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.281 11.052 -22.405 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -11.952 11.509 -22.622 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.422 11.092 -23.778 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.085 11.547 -23.997 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.320 11.338 -24.570 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.451 11.369 -25.940 1.00 0.00 O ATOM 0 H TYR A 72 -14.062 9.530 -18.099 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.681 9.081 -20.610 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.739 11.709 -19.837 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.995 11.739 -20.010 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -15.145 10.856 -21.788 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.982 11.676 -22.177 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.390 10.932 -24.229 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.224 11.740 -24.620 1.00 0.00 H new ATOM 0 HH TYR A 72 -12.614 11.074 -26.355 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.709 8.724 -19.232 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.501 8.474 -18.455 1.00 0.00 C ATOM 1175 C TRP A 73 -8.298 9.114 -19.136 1.00 0.00 C ATOM 1176 O TRP A 73 -7.807 8.610 -20.146 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.268 6.971 -18.293 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.329 6.282 -17.491 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.625 6.058 -17.861 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.181 5.722 -16.182 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.290 5.392 -16.860 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.426 5.176 -15.819 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.116 5.631 -15.281 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -11.633 4.547 -14.594 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.323 5.006 -14.066 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -10.573 4.471 -13.732 1.00 0.00 C ATOM 0 H TRP A 73 -10.785 8.164 -20.081 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.629 8.916 -17.467 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.215 6.512 -19.280 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.302 6.811 -17.815 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.062 6.360 -18.801 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.268 5.105 -16.887 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.149 6.042 -15.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -12.596 4.134 -14.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.507 4.929 -13.363 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.703 3.989 -12.775 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.830 10.228 -18.586 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.688 10.932 -19.156 1.00 0.00 C ATOM 1199 C ALA A 74 -5.476 10.863 -18.238 1.00 0.00 C ATOM 1200 O ALA A 74 -5.593 10.540 -17.056 1.00 0.00 O ATOM 1201 CB ALA A 74 -7.052 12.380 -19.458 1.00 0.00 C ATOM 0 H ALA A 74 -8.221 10.662 -17.750 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.423 10.437 -20.090 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.188 12.891 -19.883 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.876 12.407 -20.171 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.352 12.879 -18.537 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.312 11.167 -18.797 1.00 0.00 N ATOM 1208 CA ARG A 75 -3.065 11.142 -18.044 1.00 0.00 C ATOM 1209 C ARG A 75 -2.036 12.050 -18.705 1.00 0.00 C ATOM 1210 O ARG A 75 -2.291 12.610 -19.773 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.522 9.711 -17.939 1.00 0.00 C ATOM 1212 CG ARG A 75 -3.007 8.773 -19.036 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.895 7.852 -19.511 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.393 6.523 -19.860 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.613 5.561 -18.968 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.390 5.783 -17.680 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -3.060 4.377 -19.364 1.00 0.00 N ATOM 0 H ARG A 75 -4.205 11.435 -19.775 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.263 11.507 -17.036 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.433 9.746 -17.963 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.807 9.297 -16.972 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.841 8.177 -18.665 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.382 9.357 -19.877 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.404 8.294 -20.378 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.141 7.762 -18.729 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.582 6.322 -20.842 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.049 6.693 -17.371 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.560 5.044 -16.998 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.236 4.203 -20.354 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.228 3.640 -18.679 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.878 12.205 -18.069 1.00 0.00 N ATOM 1232 CA VAL A 76 0.161 13.064 -18.617 1.00 0.00 C ATOM 1233 C VAL A 76 1.560 12.600 -18.234 1.00 0.00 C ATOM 1234 O VAL A 76 1.887 12.470 -17.053 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.020 14.525 -18.155 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.233 14.656 -16.658 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.899 15.447 -18.941 1.00 0.00 C ATOM 0 H VAL A 76 -0.640 11.753 -17.186 1.00 0.00 H new ATOM 0 HA VAL A 76 0.059 13.003 -19.701 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.051 14.821 -18.348 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.099 15.695 -16.356 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.471 14.026 -16.114 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.252 14.341 -16.432 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.759 16.474 -18.603 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.936 15.150 -18.781 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.662 15.379 -20.003 1.00 0.00 H new ATOM 1247 N ARG A 77 2.392 12.385 -19.248 1.00 0.00 N ATOM 1248 CA ARG A 77 3.772 11.978 -19.032 1.00 0.00 C ATOM 1249 C ARG A 77 4.649 13.220 -18.955 1.00 0.00 C ATOM 1250 O ARG A 77 4.520 14.118 -19.782 1.00 0.00 O ATOM 1251 CB ARG A 77 4.256 11.080 -20.172 1.00 0.00 C ATOM 1252 CG ARG A 77 3.644 9.691 -20.163 1.00 0.00 C ATOM 1253 CD ARG A 77 4.493 8.711 -20.957 1.00 0.00 C ATOM 1254 NE ARG A 77 4.971 7.605 -20.132 1.00 0.00 N ATOM 1255 CZ ARG A 77 6.042 6.873 -20.426 1.00 0.00 C ATOM 1256 NH1 ARG A 77 6.745 7.128 -21.522 1.00 0.00 N ATOM 1257 NH2 ARG A 77 6.410 5.883 -19.625 1.00 0.00 N ATOM 0 H ARG A 77 2.132 12.487 -20.229 1.00 0.00 H new ATOM 0 HA ARG A 77 3.834 11.416 -18.100 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.027 11.561 -21.123 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.341 10.989 -20.114 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.545 9.341 -19.135 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.640 9.731 -20.584 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.909 8.317 -21.788 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.345 9.236 -21.388 1.00 0.00 H new ATOM 0 HE ARG A 77 4.454 7.381 -19.282 1.00 0.00 H new ATOM 0 HH11 ARG A 77 6.465 7.888 -22.142 1.00 0.00 H new ATOM 0 HH12 ARG A 77 7.566 6.565 -21.744 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.872 5.682 -18.782 1.00 0.00 H new ATOM 0 HH22 ARG A 77 7.231 5.322 -19.851 1.00 0.00 H new ATOM 1271 N VAL A 78 5.530 13.284 -17.965 1.00 0.00 N ATOM 1272 CA VAL A 78 6.399 14.445 -17.817 1.00 0.00 C ATOM 1273 C VAL A 78 7.850 14.108 -18.147 1.00 0.00 C ATOM 1274 O VAL A 78 8.508 13.353 -17.432 1.00 0.00 O ATOM 1275 CB VAL A 78 6.307 15.049 -16.397 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.499 13.975 -15.338 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.318 16.178 -16.218 1.00 0.00 C ATOM 0 H VAL A 78 5.661 12.557 -17.262 1.00 0.00 H new ATOM 0 HA VAL A 78 6.048 15.190 -18.531 1.00 0.00 H new ATOM 0 HB VAL A 78 5.309 15.469 -16.274 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.430 14.424 -14.347 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.725 13.215 -15.446 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.479 13.515 -15.460 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.233 16.586 -15.211 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.326 15.791 -16.369 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.118 16.964 -16.946 1.00 0.00 H new ATOM 1287 N ARG A 79 8.340 14.690 -19.232 1.00 0.00 N ATOM 1288 CA ARG A 79 9.713 14.476 -19.669 1.00 0.00 C ATOM 1289 C ARG A 79 10.614 15.575 -19.115 1.00 0.00 C ATOM 1290 O ARG A 79 10.158 16.688 -18.863 1.00 0.00 O ATOM 1291 CB ARG A 79 9.777 14.460 -21.200 1.00 0.00 C ATOM 1292 CG ARG A 79 11.077 13.908 -21.762 1.00 0.00 C ATOM 1293 CD ARG A 79 11.620 14.789 -22.873 1.00 0.00 C ATOM 1294 NE ARG A 79 11.985 14.017 -24.056 1.00 0.00 N ATOM 1295 CZ ARG A 79 12.258 14.561 -25.237 1.00 0.00 C ATOM 1296 NH1 ARG A 79 12.212 15.878 -25.388 1.00 0.00 N ATOM 1297 NH2 ARG A 79 12.578 13.790 -26.266 1.00 0.00 N ATOM 0 H ARG A 79 7.803 15.318 -19.830 1.00 0.00 H new ATOM 0 HA ARG A 79 10.061 13.514 -19.292 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.947 13.865 -21.581 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.637 15.476 -21.569 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.816 13.830 -20.964 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.911 12.900 -22.143 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.871 15.534 -23.143 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.493 15.332 -22.511 1.00 0.00 H new ATOM 0 HE ARG A 79 12.033 13.002 -23.972 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.967 16.474 -24.597 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.422 16.295 -26.295 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.615 12.777 -26.152 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.787 14.209 -27.172 1.00 0.00 H new ATOM 1311 N THR A 80 11.894 15.265 -18.940 1.00 0.00 N ATOM 1312 CA THR A 80 12.850 16.235 -18.431 1.00 0.00 C ATOM 1313 C THR A 80 13.829 16.593 -19.531 1.00 0.00 C ATOM 1314 O THR A 80 14.988 16.180 -19.506 1.00 0.00 O ATOM 1315 CB THR A 80 13.600 15.673 -17.220 1.00 0.00 C ATOM 1316 OG1 THR A 80 13.347 14.287 -17.072 1.00 0.00 O ATOM 1317 CG2 THR A 80 13.233 16.350 -15.917 1.00 0.00 C ATOM 0 H THR A 80 12.291 14.348 -19.144 1.00 0.00 H new ATOM 0 HA THR A 80 12.314 17.129 -18.112 1.00 0.00 H new ATOM 0 HB THR A 80 14.654 15.863 -17.422 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.836 13.946 -16.294 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.801 15.902 -15.102 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.466 17.413 -15.981 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.167 16.223 -15.729 1.00 0.00 H new ATOM 1325 N SER A 81 13.340 17.338 -20.512 1.00 0.00 N ATOM 1326 CA SER A 81 14.154 17.731 -21.648 1.00 0.00 C ATOM 1327 C SER A 81 15.281 18.671 -21.230 1.00 0.00 C ATOM 1328 O SER A 81 15.322 19.830 -21.645 1.00 0.00 O ATOM 1329 CB SER A 81 13.283 18.394 -22.715 1.00 0.00 C ATOM 1330 OG SER A 81 14.065 19.166 -23.610 1.00 0.00 O ATOM 0 H SER A 81 12.380 17.682 -20.542 1.00 0.00 H new ATOM 0 HA SER A 81 14.607 16.830 -22.062 1.00 0.00 H new ATOM 0 HB2 SER A 81 12.739 17.630 -23.270 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.539 19.031 -22.236 1.00 0.00 H new ATOM 0 HG SER A 81 14.423 19.948 -23.140 1.00 0.00 H new ATOM 1336 N ARG A 82 16.197 18.159 -20.417 1.00 0.00 N ATOM 1337 CA ARG A 82 17.330 18.944 -19.951 1.00 0.00 C ATOM 1338 C ARG A 82 18.451 18.916 -20.984 1.00 0.00 C ATOM 1339 O ARG A 82 18.793 17.860 -21.515 1.00 0.00 O ATOM 1340 CB ARG A 82 17.838 18.406 -18.612 1.00 0.00 C ATOM 1341 CG ARG A 82 17.212 19.086 -17.405 1.00 0.00 C ATOM 1342 CD ARG A 82 16.573 18.075 -16.468 1.00 0.00 C ATOM 1343 NE ARG A 82 17.421 17.789 -15.315 1.00 0.00 N ATOM 1344 CZ ARG A 82 17.330 16.679 -14.589 1.00 0.00 C ATOM 1345 NH1 ARG A 82 16.425 15.758 -14.890 1.00 0.00 N ATOM 1346 NH2 ARG A 82 18.146 16.490 -13.561 1.00 0.00 N ATOM 0 H ARG A 82 16.176 17.201 -20.067 1.00 0.00 H new ATOM 0 HA ARG A 82 17.003 19.974 -19.812 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.637 17.336 -18.560 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.920 18.530 -18.567 1.00 0.00 H new ATOM 0 HG2 ARG A 82 17.974 19.651 -16.868 1.00 0.00 H new ATOM 0 HG3 ARG A 82 16.460 19.802 -17.738 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.611 18.455 -16.125 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.375 17.151 -17.011 1.00 0.00 H new ATOM 0 HE ARG A 82 18.123 18.480 -15.051 1.00 0.00 H new ATOM 0 HH11 ARG A 82 15.796 15.900 -15.680 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.358 14.907 -14.331 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.844 17.196 -13.327 1.00 0.00 H new ATOM 0 HH22 ARG A 82 18.076 15.638 -13.004 1.00 0.00 H new ATOM 1360 N THR A 83 19.014 20.082 -21.268 1.00 0.00 N ATOM 1361 CA THR A 83 20.091 20.191 -22.243 1.00 0.00 C ATOM 1362 C THR A 83 21.201 19.191 -21.942 1.00 0.00 C ATOM 1363 O THR A 83 22.085 19.453 -21.127 1.00 0.00 O ATOM 1364 CB THR A 83 20.645 21.614 -22.254 1.00 0.00 C ATOM 1365 OG1 THR A 83 21.499 21.829 -21.145 1.00 0.00 O ATOM 1366 CG2 THR A 83 19.558 22.663 -22.210 1.00 0.00 C ATOM 0 H THR A 83 18.743 20.966 -20.837 1.00 0.00 H new ATOM 0 HA THR A 83 19.687 19.961 -23.229 1.00 0.00 H new ATOM 0 HB THR A 83 21.193 21.712 -23.191 1.00 0.00 H new ATOM 0 HG1 THR A 83 21.546 21.012 -20.605 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.009 23.655 -22.220 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.909 22.551 -23.078 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.971 22.541 -21.300 1.00 0.00 H new ATOM 1374 N GLY A 84 21.140 18.040 -22.603 1.00 0.00 N ATOM 1375 CA GLY A 84 22.135 17.009 -22.391 1.00 0.00 C ATOM 1376 C GLY A 84 21.547 15.763 -21.757 1.00 0.00 C ATOM 1377 O GLY A 84 22.159 14.696 -21.786 1.00 0.00 O ATOM 0 H GLY A 84 20.417 17.804 -23.283 1.00 0.00 H new ATOM 0 HA2 GLY A 84 22.593 16.747 -23.345 1.00 0.00 H new ATOM 0 HA3 GLY A 84 22.928 17.399 -21.753 1.00 0.00 H new ATOM 1381 N TYR A 85 20.354 15.900 -21.181 1.00 0.00 N ATOM 1382 CA TYR A 85 19.685 14.776 -20.537 1.00 0.00 C ATOM 1383 C TYR A 85 19.518 13.611 -21.518 1.00 0.00 C ATOM 1384 O TYR A 85 19.275 13.818 -22.707 1.00 0.00 O ATOM 1385 CB TYR A 85 18.328 15.237 -19.955 1.00 0.00 C ATOM 1386 CG TYR A 85 17.091 14.621 -20.589 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.560 15.132 -21.768 1.00 0.00 C ATOM 1388 CD2 TYR A 85 16.461 13.530 -20.005 1.00 0.00 C ATOM 1389 CE1 TYR A 85 15.435 14.571 -22.345 1.00 0.00 C ATOM 1390 CE2 TYR A 85 15.337 12.963 -20.576 1.00 0.00 C ATOM 1391 CZ TYR A 85 14.828 13.488 -21.745 1.00 0.00 C ATOM 1392 OH TYR A 85 13.711 12.925 -22.317 1.00 0.00 O ATOM 0 H TYR A 85 19.834 16.777 -21.148 1.00 0.00 H new ATOM 0 HA TYR A 85 20.301 14.416 -19.713 1.00 0.00 H new ATOM 0 HB2 TYR A 85 18.317 15.012 -18.889 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.262 16.321 -20.053 1.00 0.00 H new ATOM 0 HD1 TYR A 85 17.033 15.980 -22.241 1.00 0.00 H new ATOM 0 HD2 TYR A 85 16.856 13.117 -19.089 1.00 0.00 H new ATOM 0 HE1 TYR A 85 15.034 14.979 -23.261 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.860 12.114 -20.109 1.00 0.00 H new ATOM 0 HH TYR A 85 13.621 11.997 -22.015 1.00 0.00 H new ATOM 1402 N ASN A 86 19.649 12.390 -21.008 1.00 0.00 N ATOM 1403 CA ASN A 86 19.509 11.200 -21.845 1.00 0.00 C ATOM 1404 C ASN A 86 18.177 11.214 -22.586 1.00 0.00 C ATOM 1405 O ASN A 86 17.420 12.182 -22.502 1.00 0.00 O ATOM 1406 CB ASN A 86 19.633 9.915 -21.017 1.00 0.00 C ATOM 1407 CG ASN A 86 19.115 10.071 -19.605 1.00 0.00 C ATOM 1408 OD1 ASN A 86 18.114 10.925 -19.436 1.00 0.00 O flip ATOM 1409 ND2 ASN A 86 19.608 9.433 -18.676 1.00 0.00 N flip ATOM 0 H ASN A 86 19.850 12.198 -20.027 1.00 0.00 H new ATOM 0 HA ASN A 86 20.320 11.217 -22.573 1.00 0.00 H new ATOM 0 HB2 ASN A 86 19.084 9.115 -21.513 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.679 9.610 -20.983 1.00 0.00 H new ATOM 0 HD21 ASN A 86 20.377 8.787 -18.853 1.00 0.00 H new ATOM 0 HD22 ASN A 86 19.248 9.550 -17.729 1.00 0.00 H new ATOM 1416 N GLY A 87 17.895 10.139 -23.312 1.00 0.00 N ATOM 1417 CA GLY A 87 16.652 10.055 -24.054 1.00 0.00 C ATOM 1418 C GLY A 87 15.626 9.174 -23.369 1.00 0.00 C ATOM 1419 O GLY A 87 15.156 8.194 -23.947 1.00 0.00 O ATOM 0 H GLY A 87 18.504 9.325 -23.400 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.240 11.056 -24.181 1.00 0.00 H new ATOM 0 HA3 GLY A 87 16.854 9.664 -25.051 1.00 0.00 H new ATOM 1423 N ILE A 88 15.276 9.522 -22.133 1.00 0.00 N ATOM 1424 CA ILE A 88 14.298 8.749 -21.376 1.00 0.00 C ATOM 1425 C ILE A 88 13.014 9.544 -21.163 1.00 0.00 C ATOM 1426 O ILE A 88 12.822 10.605 -21.754 1.00 0.00 O ATOM 1427 CB ILE A 88 14.875 8.282 -20.009 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.757 9.365 -18.919 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.331 7.869 -20.174 1.00 0.00 C ATOM 1430 CD1 ILE A 88 14.727 8.800 -17.517 1.00 0.00 C ATOM 0 H ILE A 88 15.653 10.330 -21.638 1.00 0.00 H new ATOM 0 HA ILE A 88 14.062 7.863 -21.965 1.00 0.00 H new ATOM 0 HB ILE A 88 14.281 7.428 -19.682 1.00 0.00 H new ATOM 0 HG12 ILE A 88 15.597 10.054 -19.008 1.00 0.00 H new ATOM 0 HG13 ILE A 88 13.850 9.945 -19.089 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.728 7.543 -19.213 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.398 7.050 -20.890 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.911 8.717 -20.537 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.643 9.615 -16.798 1.00 0.00 H new ATOM 0 HD12 ILE A 88 13.871 8.133 -17.412 1.00 0.00 H new ATOM 0 HD13 ILE A 88 15.645 8.244 -17.329 1.00 0.00 H new ATOM 1442 N TRP A 89 12.153 9.027 -20.293 1.00 0.00 N ATOM 1443 CA TRP A 89 10.893 9.682 -19.975 1.00 0.00 C ATOM 1444 C TRP A 89 10.388 9.240 -18.603 1.00 0.00 C ATOM 1445 O TRP A 89 11.062 8.492 -17.895 1.00 0.00 O ATOM 1446 CB TRP A 89 9.846 9.353 -21.035 1.00 0.00 C ATOM 1447 CG TRP A 89 9.708 10.403 -22.096 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.555 10.625 -23.142 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.659 11.371 -22.216 1.00 0.00 C ATOM 1450 NE1 TRP A 89 10.102 11.675 -23.904 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.938 12.149 -23.356 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.510 11.656 -21.471 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.112 13.191 -23.768 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.691 12.692 -21.881 1.00 0.00 C ATOM 1455 CH2 TRP A 89 6.996 13.448 -23.020 1.00 0.00 C ATOM 0 H TRP A 89 12.308 8.151 -19.794 1.00 0.00 H new ATOM 0 HA TRP A 89 11.063 10.758 -19.958 1.00 0.00 H new ATOM 0 HB2 TRP A 89 10.105 8.405 -21.507 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.881 9.213 -20.548 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.452 10.058 -23.342 1.00 0.00 H new ATOM 0 HE1 TRP A 89 10.557 12.042 -24.740 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.267 11.078 -20.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.344 13.775 -24.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.801 12.922 -21.314 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.336 14.251 -23.314 1.00 0.00 H new ATOM 1466 N SER A 90 9.193 9.699 -18.239 1.00 0.00 N ATOM 1467 CA SER A 90 8.593 9.340 -16.958 1.00 0.00 C ATOM 1468 C SER A 90 7.823 8.026 -17.083 1.00 0.00 C ATOM 1469 O SER A 90 8.116 7.213 -17.960 1.00 0.00 O ATOM 1470 CB SER A 90 7.667 10.458 -16.472 1.00 0.00 C ATOM 1471 OG SER A 90 6.488 10.524 -17.254 1.00 0.00 O ATOM 0 H SER A 90 8.622 10.320 -18.813 1.00 0.00 H new ATOM 0 HA SER A 90 9.389 9.207 -16.225 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.405 10.288 -15.428 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.191 11.413 -16.518 1.00 0.00 H new ATOM 0 HG SER A 90 5.705 10.538 -16.665 1.00 0.00 H new ATOM 1477 N GLU A 91 6.838 7.816 -16.213 1.00 0.00 N ATOM 1478 CA GLU A 91 6.045 6.592 -16.257 1.00 0.00 C ATOM 1479 C GLU A 91 4.620 6.871 -16.730 1.00 0.00 C ATOM 1480 O GLU A 91 4.156 6.256 -17.688 1.00 0.00 O ATOM 1481 CB GLU A 91 6.035 5.888 -14.892 1.00 0.00 C ATOM 1482 CG GLU A 91 5.631 6.770 -13.717 1.00 0.00 C ATOM 1483 CD GLU A 91 4.138 6.740 -13.452 1.00 0.00 C ATOM 1484 OE1 GLU A 91 3.428 5.982 -14.146 1.00 0.00 O ATOM 1485 OE2 GLU A 91 3.680 7.471 -12.550 1.00 0.00 O ATOM 0 H GLU A 91 6.572 8.470 -15.477 1.00 0.00 H new ATOM 0 HA GLU A 91 6.515 5.924 -16.979 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.352 5.040 -14.942 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.030 5.486 -14.700 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.162 6.443 -12.823 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.941 7.796 -13.914 1.00 0.00 H new ATOM 1492 N TRP A 92 3.938 7.806 -16.057 1.00 0.00 N ATOM 1493 CA TRP A 92 2.556 8.187 -16.397 1.00 0.00 C ATOM 1494 C TRP A 92 1.838 8.736 -15.168 1.00 0.00 C ATOM 1495 O TRP A 92 1.711 8.045 -14.157 1.00 0.00 O ATOM 1496 CB TRP A 92 1.756 6.997 -16.947 1.00 0.00 C ATOM 1497 CG TRP A 92 1.673 6.963 -18.444 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.038 5.932 -19.262 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.187 8.003 -19.304 1.00 0.00 C ATOM 1500 NE1 TRP A 92 1.815 6.268 -20.575 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.292 7.533 -20.627 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.675 9.285 -19.084 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 0.902 8.299 -21.722 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.288 10.044 -20.173 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.404 9.549 -21.478 1.00 0.00 C ATOM 0 H TRP A 92 4.324 8.319 -15.265 1.00 0.00 H new ATOM 0 HA TRP A 92 2.617 8.954 -17.169 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.213 6.071 -16.597 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.747 7.029 -16.537 1.00 0.00 H new ATOM 0 HD1 TRP A 92 2.443 4.989 -18.925 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.008 5.672 -21.380 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.583 9.676 -18.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 0.990 7.919 -22.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.110 11.035 -20.015 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.094 10.167 -22.308 1.00 0.00 H new ATOM 1516 N SER A 93 1.366 9.975 -15.256 1.00 0.00 N ATOM 1517 CA SER A 93 0.660 10.596 -14.142 1.00 0.00 C ATOM 1518 C SER A 93 -0.547 9.761 -13.729 1.00 0.00 C ATOM 1519 O SER A 93 -1.217 9.161 -14.570 1.00 0.00 O ATOM 1520 CB SER A 93 0.207 12.008 -14.514 1.00 0.00 C ATOM 1521 OG SER A 93 -0.955 11.973 -15.324 1.00 0.00 O ATOM 0 H SER A 93 1.459 10.566 -16.082 1.00 0.00 H new ATOM 0 HA SER A 93 1.350 10.653 -13.300 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.006 12.579 -13.608 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.008 12.523 -15.044 1.00 0.00 H new ATOM 0 HG SER A 93 -1.751 11.961 -14.753 1.00 0.00 H new ATOM 1527 N GLU A 94 -0.820 9.725 -12.427 1.00 0.00 N ATOM 1528 CA GLU A 94 -1.949 8.962 -11.896 1.00 0.00 C ATOM 1529 C GLU A 94 -3.206 9.175 -12.738 1.00 0.00 C ATOM 1530 O GLU A 94 -3.810 10.248 -12.716 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.222 9.353 -10.442 1.00 0.00 C ATOM 1532 CG GLU A 94 -2.705 10.784 -10.275 1.00 0.00 C ATOM 1533 CD GLU A 94 -1.962 11.526 -9.183 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -2.303 11.334 -7.996 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -1.037 12.300 -9.512 1.00 0.00 O ATOM 0 H GLU A 94 -0.275 10.216 -11.718 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.685 7.905 -11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.969 8.676 -10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.310 9.216 -9.861 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.584 11.317 -11.218 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.771 10.779 -10.046 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.586 8.143 -13.482 1.00 0.00 N ATOM 1543 CA ALA A 95 -4.761 8.203 -14.340 1.00 0.00 C ATOM 1544 C ALA A 95 -5.981 8.720 -13.586 1.00 0.00 C ATOM 1545 O ALA A 95 -6.260 8.296 -12.464 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.047 6.829 -14.927 1.00 0.00 C ATOM 0 H ALA A 95 -3.094 7.250 -13.507 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.551 8.904 -15.148 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.927 6.883 -15.567 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.190 6.499 -15.515 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.228 6.119 -14.120 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.710 9.635 -14.218 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.908 10.213 -13.619 1.00 0.00 C ATOM 1554 C ARG A 96 -9.110 10.023 -14.537 1.00 0.00 C ATOM 1555 O ARG A 96 -9.001 10.176 -15.754 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.695 11.700 -13.335 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.856 11.968 -12.097 1.00 0.00 C ATOM 1558 CD ARG A 96 -7.380 11.202 -10.893 1.00 0.00 C ATOM 1559 NE ARG A 96 -7.373 12.016 -9.681 1.00 0.00 N ATOM 1560 CZ ARG A 96 -8.127 13.098 -9.517 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -8.947 13.491 -10.483 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -8.064 13.787 -8.386 1.00 0.00 N ATOM 0 H ARG A 96 -6.491 9.993 -15.148 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.104 9.699 -12.678 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.213 12.161 -14.197 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.666 12.182 -13.217 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.821 11.683 -12.289 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.858 13.036 -11.879 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.395 10.861 -11.094 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.770 10.312 -10.736 1.00 0.00 H new ATOM 0 HE ARG A 96 -6.755 11.739 -8.918 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -9.000 12.962 -11.354 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -9.525 14.322 -10.355 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.436 13.487 -7.640 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.643 14.617 -8.262 1.00 0.00 H new ATOM 1576 N SER A 97 -10.254 9.684 -13.952 1.00 0.00 N ATOM 1577 CA SER A 97 -11.470 9.469 -14.729 1.00 0.00 C ATOM 1578 C SER A 97 -12.531 10.516 -14.400 1.00 0.00 C ATOM 1579 O SER A 97 -12.867 10.732 -13.236 1.00 0.00 O ATOM 1580 CB SER A 97 -12.025 8.068 -14.471 1.00 0.00 C ATOM 1581 OG SER A 97 -11.142 7.309 -13.663 1.00 0.00 O ATOM 0 H SER A 97 -10.365 9.553 -12.947 1.00 0.00 H new ATOM 0 HA SER A 97 -11.212 9.565 -15.784 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.996 8.143 -13.982 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.185 7.556 -15.420 1.00 0.00 H new ATOM 0 HG SER A 97 -10.862 6.506 -14.150 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.060 11.154 -15.439 1.00 0.00 N ATOM 1588 CA TRP A 98 -14.092 12.170 -15.270 1.00 0.00 C ATOM 1589 C TRP A 98 -15.216 11.965 -16.284 1.00 0.00 C ATOM 1590 O TRP A 98 -15.026 11.311 -17.310 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.486 13.574 -15.403 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.242 14.007 -16.817 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.047 14.804 -17.578 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.120 13.670 -17.638 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.491 14.984 -18.821 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.307 14.296 -18.880 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.973 12.900 -17.445 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.389 14.171 -19.917 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -10.066 12.780 -18.475 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.281 13.415 -19.700 1.00 0.00 C ATOM 0 H TRP A 98 -12.790 10.985 -16.408 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.515 12.073 -14.270 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -14.153 14.292 -14.925 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.542 13.603 -14.858 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -14.984 15.231 -17.251 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -13.893 15.539 -19.576 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.798 12.405 -16.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.552 14.660 -20.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -9.175 12.186 -18.333 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.553 13.303 -20.490 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.389 12.515 -15.988 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.539 12.378 -16.875 1.00 0.00 C ATOM 1613 C ASP A 99 -17.709 13.610 -17.758 1.00 0.00 C ATOM 1614 O ASP A 99 -17.696 14.742 -17.274 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.816 12.138 -16.064 1.00 0.00 C ATOM 1616 CG ASP A 99 -18.880 12.991 -14.812 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -18.143 12.688 -13.851 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -19.667 13.960 -14.794 1.00 0.00 O ATOM 0 H ASP A 99 -16.568 13.058 -15.143 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.358 11.518 -17.520 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.684 12.350 -16.688 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -18.873 11.086 -15.786 1.00 0.00 H new ATOM 1623 N THR A 100 -17.872 13.377 -19.057 1.00 0.00 N ATOM 1624 CA THR A 100 -18.051 14.462 -20.016 1.00 0.00 C ATOM 1625 C THR A 100 -19.529 14.805 -20.174 1.00 0.00 C ATOM 1626 O THR A 100 -20.145 14.486 -21.189 1.00 0.00 O ATOM 1627 CB THR A 100 -17.462 14.073 -21.370 1.00 0.00 C ATOM 1628 OG1 THR A 100 -17.379 12.664 -21.495 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.078 14.637 -21.610 1.00 0.00 C ATOM 0 H THR A 100 -17.884 12.445 -19.470 1.00 0.00 H new ATOM 0 HA THR A 100 -17.528 15.340 -19.638 1.00 0.00 H new ATOM 0 HB THR A 100 -18.141 14.497 -22.110 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.965 12.365 -22.221 1.00 0.00 H new ATOM 0 HG21 THR A 100 -15.721 14.321 -22.590 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.117 15.726 -21.572 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.398 14.271 -20.841 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.090 15.454 -19.160 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.499 15.842 -19.174 1.00 0.00 C ATOM 1639 C GLU A 101 -21.899 16.442 -20.518 1.00 0.00 C ATOM 1640 O GLU A 101 -21.102 17.116 -21.171 1.00 0.00 O ATOM 1641 CB GLU A 101 -21.782 16.842 -18.053 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.682 16.239 -16.662 1.00 0.00 C ATOM 1643 CD GLU A 101 -23.039 15.961 -16.047 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -23.987 16.725 -16.329 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -23.155 14.980 -15.282 1.00 0.00 O ATOM 0 H GLU A 101 -19.589 15.724 -18.313 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.093 14.942 -19.015 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -21.080 17.672 -18.132 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -22.781 17.256 -18.190 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -21.113 15.310 -16.713 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -21.126 16.918 -16.015 1.00 0.00 H new ATOM 1652 N SER A 102 -23.140 16.193 -20.923 1.00 0.00 N ATOM 1653 CA SER A 102 -23.648 16.709 -22.187 1.00 0.00 C ATOM 1654 C SER A 102 -23.816 18.222 -22.127 1.00 0.00 C ATOM 1655 O SER A 102 -22.834 18.937 -22.416 1.00 0.00 O ATOM 1656 CB SER A 102 -24.984 16.049 -22.533 1.00 0.00 C ATOM 1657 OG SER A 102 -25.097 14.773 -21.926 1.00 0.00 O ATOM 1658 OXT SER A 102 -24.927 18.680 -21.787 1.00 0.00 O ATOM 0 H SER A 102 -23.812 15.637 -20.394 1.00 0.00 H new ATOM 0 HA SER A 102 -22.922 16.472 -22.965 1.00 0.00 H new ATOM 0 HB2 SER A 102 -25.804 16.686 -22.202 1.00 0.00 H new ATOM 0 HB3 SER A 102 -25.074 15.950 -23.615 1.00 0.00 H new ATOM 0 HG SER A 102 -25.960 14.374 -22.162 1.00 0.00 H new TER 1664 SER A 102