USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=37 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 39 GLN : amide:sc= 0.452 K(o=0.45,f=-6.6!) USER MOD Set 1.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 24 THR OG1 : rot -99:sc= 0.0174 USER MOD Set 2.2: A 59 HIS : no HD1:sc= -0.587 K(o=-0.57,f=-2.6) USER MOD Set 3.1: A 13 LYS NZ :NH3+ -136:sc= -0.18 (180deg=-0.862) USER MOD Set 3.2: A 18 TYR OH : rot -74:sc= 0.601 USER MOD Set 4.1: A 4 MET CE :methyl -143:sc= -12.7! (180deg=-13.4!) USER MOD Set 4.2: A 26 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00959) USER MOD Set 4.3: A 27 MET CE :methyl 172:sc= -7.64! (180deg=-2.17) USER MOD Set 4.4: A 34 HIS : no HE2:sc= -10.8! C(o=-31!,f=-34!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.945 K(o=-0.94,f=-0.27) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.888 X(o=-0.89,f=-0.39) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00336 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 102:sc= 1.07 USER MOD Single : A 25 MET CE :methyl 166:sc= -0.0555 (180deg=-0.414) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.55) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -1.9 USER MOD Single : A 42 LYS NZ :NH3+ -176:sc= -2.73 (180deg=-2.92) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0246 USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= 0.72 (180deg=-0.187) USER MOD Single : A 50 SER OG : rot 30:sc= 0.0836 USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= -0.0209 (180deg=-0.156) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 56 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.6!) USER MOD Single : A 57 ASN : amide:sc= -0.352 X(o=-0.35,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl -179:sc= -9.07! (180deg=-9.09!) USER MOD Single : A 69 SER OG : rot 69:sc= 0.746 USER MOD Single : A 70 THR OG1 : rot -12:sc= 0.875 USER MOD Single : A 72 TYR OH : rot -133:sc= -3.79! USER MOD Single : A 80 THR OG1 : rot -64:sc= 1.1 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 83 THR OG1 : rot 1:sc= 0.308 USER MOD Single : A 85 TYR OH : rot 180:sc= 0.773 USER MOD Single : A 86 ASN : amide:sc= -3.87! K(o=-3.9!,f=-0.29) USER MOD Single : A 90 SER OG : rot 140:sc= 0.132 USER MOD Single : A 93 SER OG : rot 110:sc= -1.3! USER MOD Single : A 97 SER OG : rot -10:sc= 0.422! USER MOD Single : A 100 THR OG1 : rot 159:sc= 1.35 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.867 6.678 -5.328 1.00 0.00 N ATOM 2 CA MET A 1 9.295 7.045 -5.151 1.00 0.00 C ATOM 3 C MET A 1 10.184 6.286 -6.130 1.00 0.00 C ATOM 4 O MET A 1 10.799 5.282 -5.772 1.00 0.00 O ATOM 5 CB MET A 1 9.704 6.726 -3.712 1.00 0.00 C ATOM 6 CG MET A 1 10.854 7.578 -3.201 1.00 0.00 C ATOM 7 SD MET A 1 12.151 6.599 -2.420 1.00 0.00 S ATOM 8 CE MET A 1 11.527 6.482 -0.745 1.00 0.00 C ATOM 0 H1 MET A 1 7.285 7.209 -4.649 1.00 0.00 H new ATOM 0 H2 MET A 1 7.567 6.909 -6.297 1.00 0.00 H new ATOM 0 H3 MET A 1 7.748 5.658 -5.162 1.00 0.00 H new ATOM 0 HA MET A 1 9.419 8.109 -5.351 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.842 6.865 -3.059 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.986 5.675 -3.648 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.280 8.142 -4.031 1.00 0.00 H new ATOM 0 HG3 MET A 1 10.472 8.305 -2.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.222 5.903 -0.137 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.424 7.482 -0.325 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.555 5.989 -0.753 1.00 0.00 H new ATOM 20 N ILE A 2 10.249 6.770 -7.367 1.00 0.00 N ATOM 21 CA ILE A 2 11.068 6.127 -8.389 1.00 0.00 C ATOM 22 C ILE A 2 11.835 7.156 -9.224 1.00 0.00 C ATOM 23 O ILE A 2 12.014 8.299 -8.806 1.00 0.00 O ATOM 24 CB ILE A 2 10.218 5.215 -9.310 1.00 0.00 C ATOM 25 CG1 ILE A 2 9.412 6.036 -10.325 1.00 0.00 C ATOM 26 CG2 ILE A 2 9.290 4.343 -8.477 1.00 0.00 C ATOM 27 CD1 ILE A 2 8.644 7.186 -9.712 1.00 0.00 C ATOM 0 H ILE A 2 9.748 7.600 -7.684 1.00 0.00 H new ATOM 0 HA ILE A 2 11.793 5.503 -7.866 1.00 0.00 H new ATOM 0 HB ILE A 2 10.901 4.575 -9.869 1.00 0.00 H new ATOM 0 HG12 ILE A 2 10.092 6.428 -11.082 1.00 0.00 H new ATOM 0 HG13 ILE A 2 8.712 5.376 -10.837 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.699 3.707 -9.136 1.00 0.00 H new ATOM 0 HG22 ILE A 2 9.881 3.720 -7.806 1.00 0.00 H new ATOM 0 HG23 ILE A 2 8.624 4.977 -7.891 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.100 7.718 -10.493 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.938 6.801 -8.976 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.340 7.869 -9.225 1.00 0.00 H new ATOM 39 N GLN A 3 12.302 6.732 -10.395 1.00 0.00 N ATOM 40 CA GLN A 3 13.070 7.600 -11.289 1.00 0.00 C ATOM 41 C GLN A 3 12.491 9.009 -11.368 1.00 0.00 C ATOM 42 O GLN A 3 13.227 9.989 -11.477 1.00 0.00 O ATOM 43 CB GLN A 3 13.135 6.989 -12.690 1.00 0.00 C ATOM 44 CG GLN A 3 11.792 6.492 -13.196 1.00 0.00 C ATOM 45 CD GLN A 3 11.910 5.691 -14.478 1.00 0.00 C ATOM 46 OE1 GLN A 3 12.233 4.503 -14.454 1.00 0.00 O ATOM 47 NE2 GLN A 3 11.651 6.340 -15.607 1.00 0.00 N ATOM 0 H GLN A 3 12.162 5.786 -10.751 1.00 0.00 H new ATOM 0 HA GLN A 3 14.074 7.680 -10.873 1.00 0.00 H new ATOM 0 HB2 GLN A 3 13.523 7.733 -13.385 1.00 0.00 H new ATOM 0 HB3 GLN A 3 13.842 6.159 -12.684 1.00 0.00 H new ATOM 0 HG2 GLN A 3 11.325 5.875 -12.428 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.134 7.344 -13.364 1.00 0.00 H new ATOM 0 HE21 GLN A 3 11.387 7.325 -15.580 1.00 0.00 H new ATOM 0 HE22 GLN A 3 11.716 5.854 -16.501 1.00 0.00 H new ATOM 56 N MET A 4 11.173 9.104 -11.322 1.00 0.00 N ATOM 57 CA MET A 4 10.496 10.397 -11.396 1.00 0.00 C ATOM 58 C MET A 4 9.029 10.276 -10.999 1.00 0.00 C ATOM 59 O MET A 4 8.363 9.294 -11.329 1.00 0.00 O ATOM 60 CB MET A 4 10.604 10.967 -12.814 1.00 0.00 C ATOM 61 CG MET A 4 10.449 12.481 -12.880 1.00 0.00 C ATOM 62 SD MET A 4 8.802 12.989 -13.416 1.00 0.00 S ATOM 63 CE MET A 4 9.137 14.618 -14.090 1.00 0.00 C ATOM 0 H MET A 4 10.546 8.304 -11.234 1.00 0.00 H new ATOM 0 HA MET A 4 10.985 11.073 -10.695 1.00 0.00 H new ATOM 0 HB2 MET A 4 11.571 10.691 -13.234 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.841 10.505 -13.441 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.654 12.906 -11.898 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.192 12.889 -13.566 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.307 15.286 -13.858 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.054 15.012 -13.651 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.254 14.547 -15.171 1.00 0.00 H new ATOM 73 N ALA A 5 8.529 11.287 -10.296 1.00 0.00 N ATOM 74 CA ALA A 5 7.140 11.305 -9.859 1.00 0.00 C ATOM 75 C ALA A 5 6.315 12.251 -10.731 1.00 0.00 C ATOM 76 O ALA A 5 6.432 13.471 -10.614 1.00 0.00 O ATOM 77 CB ALA A 5 7.050 11.716 -8.399 1.00 0.00 C ATOM 0 H ALA A 5 9.068 12.107 -10.017 1.00 0.00 H new ATOM 0 HA ALA A 5 6.733 10.299 -9.963 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.006 11.725 -8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.606 11.006 -7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.474 12.712 -8.275 1.00 0.00 H new ATOM 83 N PRO A 6 5.477 11.701 -11.624 1.00 0.00 N ATOM 84 CA PRO A 6 4.643 12.503 -12.525 1.00 0.00 C ATOM 85 C PRO A 6 3.794 13.533 -11.783 1.00 0.00 C ATOM 86 O PRO A 6 3.335 13.284 -10.668 1.00 0.00 O ATOM 87 CB PRO A 6 3.753 11.460 -13.203 1.00 0.00 C ATOM 88 CG PRO A 6 4.547 10.202 -13.146 1.00 0.00 C ATOM 89 CD PRO A 6 5.283 10.256 -11.837 1.00 0.00 C ATOM 0 HA PRO A 6 5.245 13.089 -13.220 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.801 11.353 -12.684 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.526 11.740 -14.232 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.900 9.326 -13.198 1.00 0.00 H new ATOM 0 HG3 PRO A 6 5.240 10.136 -13.985 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.706 9.803 -11.031 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.233 9.724 -11.886 1.00 0.00 H new ATOM 97 N PRO A 7 3.577 14.710 -12.398 1.00 0.00 N ATOM 98 CA PRO A 7 2.780 15.786 -11.796 1.00 0.00 C ATOM 99 C PRO A 7 1.327 15.383 -11.574 1.00 0.00 C ATOM 100 O PRO A 7 0.931 14.255 -11.868 1.00 0.00 O ATOM 101 CB PRO A 7 2.866 16.922 -12.823 1.00 0.00 C ATOM 102 CG PRO A 7 3.247 16.263 -14.104 1.00 0.00 C ATOM 103 CD PRO A 7 4.093 15.083 -13.726 1.00 0.00 C ATOM 0 HA PRO A 7 3.155 16.057 -10.809 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.912 17.442 -12.916 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.606 17.665 -12.527 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.363 15.948 -14.659 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.799 16.949 -14.747 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.989 14.268 -14.442 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.151 15.342 -13.689 1.00 0.00 H new ATOM 111 N SER A 8 0.534 16.318 -11.058 1.00 0.00 N ATOM 112 CA SER A 8 -0.879 16.069 -10.800 1.00 0.00 C ATOM 113 C SER A 8 -1.708 16.369 -12.042 1.00 0.00 C ATOM 114 O SER A 8 -1.213 16.975 -12.993 1.00 0.00 O ATOM 115 CB SER A 8 -1.365 16.924 -9.627 1.00 0.00 C ATOM 116 OG SER A 8 -1.470 18.288 -9.998 1.00 0.00 O ATOM 0 H SER A 8 0.848 17.256 -10.810 1.00 0.00 H new ATOM 0 HA SER A 8 -1.001 15.017 -10.543 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.335 16.561 -9.286 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.675 16.824 -8.790 1.00 0.00 H new ATOM 0 HG SER A 8 -1.784 18.812 -9.232 1.00 0.00 H new ATOM 122 N LEU A 9 -2.967 15.947 -12.035 1.00 0.00 N ATOM 123 CA LEU A 9 -3.842 16.185 -13.174 1.00 0.00 C ATOM 124 C LEU A 9 -5.292 16.365 -12.747 1.00 0.00 C ATOM 125 O LEU A 9 -5.802 15.635 -11.897 1.00 0.00 O ATOM 126 CB LEU A 9 -3.734 15.043 -14.185 1.00 0.00 C ATOM 127 CG LEU A 9 -3.203 15.459 -15.555 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.386 14.337 -16.567 1.00 0.00 C ATOM 129 CD2 LEU A 9 -3.888 16.726 -16.031 1.00 0.00 C ATOM 0 H LEU A 9 -3.401 15.443 -11.261 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.513 17.112 -13.644 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.081 14.272 -13.775 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.718 14.593 -14.312 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.136 15.661 -15.460 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.001 14.655 -17.536 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.843 13.453 -16.233 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.446 14.098 -16.658 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.496 17.006 -17.009 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.962 16.553 -16.106 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.699 17.531 -15.320 1.00 0.00 H new ATOM 141 N ASN A 10 -5.946 17.346 -13.356 1.00 0.00 N ATOM 142 CA ASN A 10 -7.346 17.643 -13.061 1.00 0.00 C ATOM 143 C ASN A 10 -7.975 18.451 -14.193 1.00 0.00 C ATOM 144 O ASN A 10 -7.416 19.457 -14.631 1.00 0.00 O ATOM 145 CB ASN A 10 -7.462 18.408 -11.741 1.00 0.00 C ATOM 146 CG ASN A 10 -6.916 19.819 -11.837 1.00 0.00 C ATOM 147 OD1 ASN A 10 -5.748 20.066 -11.535 1.00 0.00 O ATOM 148 ND2 ASN A 10 -7.759 20.755 -12.257 1.00 0.00 N ATOM 0 H ASN A 10 -5.529 17.953 -14.061 1.00 0.00 H new ATOM 0 HA ASN A 10 -7.883 16.699 -12.969 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.508 18.447 -11.438 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -6.925 17.866 -10.963 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.447 21.723 -12.340 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -8.719 20.506 -12.497 1.00 0.00 H new ATOM 155 N VAL A 11 -9.139 18.010 -14.666 1.00 0.00 N ATOM 156 CA VAL A 11 -9.828 18.705 -15.748 1.00 0.00 C ATOM 157 C VAL A 11 -10.761 19.787 -15.207 1.00 0.00 C ATOM 158 O VAL A 11 -11.467 19.577 -14.221 1.00 0.00 O ATOM 159 CB VAL A 11 -10.633 17.729 -16.633 1.00 0.00 C ATOM 160 CG1 VAL A 11 -9.739 16.603 -17.132 1.00 0.00 C ATOM 161 CG2 VAL A 11 -11.837 17.170 -15.887 1.00 0.00 C ATOM 0 H VAL A 11 -9.621 17.181 -14.319 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.056 19.173 -16.359 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.005 18.285 -17.494 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.322 15.924 -17.754 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.921 17.021 -17.719 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.333 16.057 -16.281 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.383 16.486 -16.537 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.499 16.635 -15.000 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.492 17.988 -15.589 1.00 0.00 H new ATOM 171 N THR A 12 -10.753 20.946 -15.858 1.00 0.00 N ATOM 172 CA THR A 12 -11.592 22.067 -15.448 1.00 0.00 C ATOM 173 C THR A 12 -12.499 22.512 -16.580 1.00 0.00 C ATOM 174 O THR A 12 -12.060 22.718 -17.712 1.00 0.00 O ATOM 175 CB THR A 12 -10.728 23.239 -14.981 1.00 0.00 C ATOM 176 OG1 THR A 12 -10.314 24.027 -16.083 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.484 22.807 -14.234 1.00 0.00 C ATOM 0 H THR A 12 -10.172 21.134 -16.675 1.00 0.00 H new ATOM 0 HA THR A 12 -12.215 21.732 -14.619 1.00 0.00 H new ATOM 0 HB THR A 12 -11.360 23.810 -14.301 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.764 24.773 -15.764 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.917 23.687 -13.932 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.770 22.238 -13.349 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.868 22.184 -14.883 1.00 0.00 H new ATOM 185 N LYS A 13 -13.770 22.657 -16.252 1.00 0.00 N ATOM 186 CA LYS A 13 -14.775 23.078 -17.223 1.00 0.00 C ATOM 187 C LYS A 13 -14.733 24.588 -17.428 1.00 0.00 C ATOM 188 O LYS A 13 -14.410 25.342 -16.509 1.00 0.00 O ATOM 189 CB LYS A 13 -16.171 22.656 -16.758 1.00 0.00 C ATOM 190 CG LYS A 13 -16.858 21.683 -17.701 1.00 0.00 C ATOM 191 CD LYS A 13 -18.327 21.517 -17.352 1.00 0.00 C ATOM 192 CE LYS A 13 -19.170 21.251 -18.588 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.625 19.835 -18.654 1.00 0.00 N ATOM 0 H LYS A 13 -14.137 22.489 -15.315 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.552 22.593 -18.173 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.094 22.199 -15.771 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.793 23.545 -16.650 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.764 22.040 -18.727 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.360 20.715 -17.654 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -18.443 20.693 -16.648 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -18.687 22.417 -16.853 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -20.037 21.911 -18.585 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -18.591 21.489 -19.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -19.504 19.476 -19.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -19.060 19.258 -17.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -20.629 19.780 -18.387 1.00 0.00 H new ATOM 207 N ASP A 14 -15.059 25.026 -18.641 1.00 0.00 N ATOM 208 CA ASP A 14 -15.056 26.447 -18.966 1.00 0.00 C ATOM 209 C ASP A 14 -16.164 26.782 -19.960 1.00 0.00 C ATOM 210 O ASP A 14 -15.986 27.619 -20.845 1.00 0.00 O ATOM 211 CB ASP A 14 -13.700 26.859 -19.539 1.00 0.00 C ATOM 212 CG ASP A 14 -12.539 26.351 -18.705 1.00 0.00 C ATOM 213 OD1 ASP A 14 -12.452 26.727 -17.517 1.00 0.00 O ATOM 214 OD2 ASP A 14 -11.717 25.577 -19.240 1.00 0.00 O ATOM 0 H ASP A 14 -15.328 24.417 -19.414 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.238 27.003 -18.046 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -13.607 26.477 -20.556 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.650 27.946 -19.601 1.00 0.00 H new ATOM 219 N GLY A 15 -17.306 26.123 -19.807 1.00 0.00 N ATOM 220 CA GLY A 15 -18.427 26.364 -20.697 1.00 0.00 C ATOM 221 C GLY A 15 -18.558 25.296 -21.764 1.00 0.00 C ATOM 222 O GLY A 15 -18.392 25.572 -22.952 1.00 0.00 O ATOM 0 H GLY A 15 -17.476 25.426 -19.082 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.347 26.406 -20.114 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -18.306 27.337 -21.174 1.00 0.00 H new ATOM 226 N ASP A 16 -18.856 24.073 -21.337 1.00 0.00 N ATOM 227 CA ASP A 16 -19.010 22.957 -22.263 1.00 0.00 C ATOM 228 C ASP A 16 -17.679 22.612 -22.924 1.00 0.00 C ATOM 229 O ASP A 16 -17.639 22.171 -24.072 1.00 0.00 O ATOM 230 CB ASP A 16 -20.052 23.293 -23.331 1.00 0.00 C ATOM 231 CG ASP A 16 -21.333 23.846 -22.736 1.00 0.00 C ATOM 232 OD1 ASP A 16 -22.127 23.051 -22.192 1.00 0.00 O ATOM 233 OD2 ASP A 16 -21.541 25.075 -22.815 1.00 0.00 O ATOM 0 H ASP A 16 -18.996 23.830 -20.356 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.349 22.090 -21.696 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.634 24.021 -24.026 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.280 22.396 -23.907 1.00 0.00 H new ATOM 238 N SER A 17 -16.592 22.815 -22.187 1.00 0.00 N ATOM 239 CA SER A 17 -15.255 22.525 -22.696 1.00 0.00 C ATOM 240 C SER A 17 -14.333 22.082 -21.565 1.00 0.00 C ATOM 241 O SER A 17 -14.126 22.815 -20.597 1.00 0.00 O ATOM 242 CB SER A 17 -14.674 23.755 -23.395 1.00 0.00 C ATOM 243 OG SER A 17 -15.585 24.840 -23.360 1.00 0.00 O ATOM 0 H SER A 17 -16.610 23.179 -21.235 1.00 0.00 H new ATOM 0 HA SER A 17 -15.333 21.712 -23.418 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.741 24.044 -22.912 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.435 23.510 -24.430 1.00 0.00 H new ATOM 0 HG SER A 17 -15.189 25.614 -23.812 1.00 0.00 H new ATOM 249 N TYR A 18 -13.786 20.877 -21.687 1.00 0.00 N ATOM 250 CA TYR A 18 -12.891 20.338 -20.670 1.00 0.00 C ATOM 251 C TYR A 18 -11.441 20.720 -20.947 1.00 0.00 C ATOM 252 O TYR A 18 -11.040 20.897 -22.098 1.00 0.00 O ATOM 253 CB TYR A 18 -13.020 18.816 -20.598 1.00 0.00 C ATOM 254 CG TYR A 18 -14.360 18.339 -20.082 1.00 0.00 C ATOM 255 CD1 TYR A 18 -14.664 18.397 -18.729 1.00 0.00 C ATOM 256 CD2 TYR A 18 -15.317 17.828 -20.950 1.00 0.00 C ATOM 257 CE1 TYR A 18 -15.885 17.961 -18.253 1.00 0.00 C ATOM 258 CE2 TYR A 18 -16.541 17.389 -20.481 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.820 17.457 -19.133 1.00 0.00 C ATOM 260 OH TYR A 18 -18.038 17.020 -18.663 1.00 0.00 O ATOM 0 H TYR A 18 -13.947 20.256 -22.480 1.00 0.00 H new ATOM 0 HA TYR A 18 -13.182 20.770 -19.712 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.855 18.400 -21.592 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.233 18.424 -19.954 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -13.934 18.790 -18.037 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -15.101 17.773 -22.007 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -16.107 18.014 -17.197 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -17.275 16.995 -21.168 1.00 0.00 H new ATOM 0 HH TYR A 18 -17.922 16.163 -18.201 1.00 0.00 H new ATOM 270 N SER A 19 -10.659 20.838 -19.880 1.00 0.00 N ATOM 271 CA SER A 19 -9.247 21.192 -19.988 1.00 0.00 C ATOM 272 C SER A 19 -8.496 20.738 -18.740 1.00 0.00 C ATOM 273 O SER A 19 -8.958 20.953 -17.622 1.00 0.00 O ATOM 274 CB SER A 19 -9.090 22.700 -20.181 1.00 0.00 C ATOM 275 OG SER A 19 -7.839 23.152 -19.693 1.00 0.00 O ATOM 0 H SER A 19 -10.981 20.693 -18.923 1.00 0.00 H new ATOM 0 HA SER A 19 -8.825 20.686 -20.856 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.180 22.945 -21.239 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.895 23.221 -19.663 1.00 0.00 H new ATOM 0 HG SER A 19 -7.224 23.286 -20.444 1.00 0.00 H new ATOM 281 N LEU A 20 -7.347 20.098 -18.932 1.00 0.00 N ATOM 282 CA LEU A 20 -6.560 19.606 -17.804 1.00 0.00 C ATOM 283 C LEU A 20 -5.682 20.707 -17.219 1.00 0.00 C ATOM 284 O LEU A 20 -5.400 21.711 -17.875 1.00 0.00 O ATOM 285 CB LEU A 20 -5.685 18.409 -18.209 1.00 0.00 C ATOM 286 CG LEU A 20 -5.980 17.784 -19.578 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.149 16.525 -19.781 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.461 17.462 -19.708 1.00 0.00 C ATOM 0 H LEU A 20 -6.942 19.909 -19.849 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.268 19.279 -17.043 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.643 18.727 -18.196 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.792 17.635 -17.449 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.711 18.506 -20.349 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.372 16.096 -20.758 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.090 16.776 -19.728 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.390 15.801 -19.003 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.653 17.019 -20.685 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.750 16.758 -18.928 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.043 18.378 -19.604 1.00 0.00 H new ATOM 300 N ARG A 21 -5.250 20.502 -15.979 1.00 0.00 N ATOM 301 CA ARG A 21 -4.396 21.461 -15.287 1.00 0.00 C ATOM 302 C ARG A 21 -3.356 20.731 -14.454 1.00 0.00 C ATOM 303 O ARG A 21 -3.527 20.537 -13.250 1.00 0.00 O ATOM 304 CB ARG A 21 -5.235 22.374 -14.400 1.00 0.00 C ATOM 305 CG ARG A 21 -4.438 23.475 -13.719 1.00 0.00 C ATOM 306 CD ARG A 21 -5.345 24.590 -13.220 1.00 0.00 C ATOM 307 NE ARG A 21 -4.915 25.110 -11.926 1.00 0.00 N ATOM 308 CZ ARG A 21 -3.825 25.851 -11.758 1.00 0.00 C ATOM 309 NH1 ARG A 21 -3.059 26.153 -12.798 1.00 0.00 N ATOM 310 NH2 ARG A 21 -3.501 26.292 -10.551 1.00 0.00 N ATOM 0 H ARG A 21 -5.479 19.674 -15.429 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.884 22.072 -16.030 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.021 22.828 -15.004 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.727 21.771 -13.637 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.879 23.057 -12.882 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.708 23.883 -14.418 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.358 25.400 -13.949 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.366 24.217 -13.139 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.482 24.893 -11.106 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.306 25.816 -13.728 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.223 26.722 -12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.089 26.063 -9.749 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -2.664 26.861 -10.424 1.00 0.00 H new ATOM 324 N TRP A 22 -2.286 20.315 -15.113 1.00 0.00 N ATOM 325 CA TRP A 22 -1.210 19.585 -14.453 1.00 0.00 C ATOM 326 C TRP A 22 -0.131 20.530 -13.934 1.00 0.00 C ATOM 327 O TRP A 22 0.294 21.452 -14.631 1.00 0.00 O ATOM 328 CB TRP A 22 -0.594 18.569 -15.419 1.00 0.00 C ATOM 329 CG TRP A 22 -0.189 19.164 -16.734 1.00 0.00 C ATOM 330 CD1 TRP A 22 0.995 19.772 -17.028 1.00 0.00 C ATOM 331 CD2 TRP A 22 -0.969 19.209 -17.933 1.00 0.00 C ATOM 332 NE1 TRP A 22 0.999 20.191 -18.337 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.197 19.857 -18.912 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.245 18.763 -18.275 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.663 20.069 -20.206 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.704 18.974 -19.558 1.00 0.00 C ATOM 337 CH2 TRP A 22 -1.919 19.619 -20.508 1.00 0.00 C ATOM 0 H TRP A 22 -2.137 20.471 -16.110 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.637 19.060 -13.599 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.279 18.116 -14.950 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.311 17.768 -15.597 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.811 19.905 -16.333 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.768 20.672 -18.804 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.864 18.260 -17.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.055 20.570 -20.945 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.692 18.632 -19.830 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.309 19.768 -21.504 1.00 0.00 H new ATOM 348 N GLU A 23 0.317 20.280 -12.707 1.00 0.00 N ATOM 349 CA GLU A 23 1.357 21.091 -12.084 1.00 0.00 C ATOM 350 C GLU A 23 2.581 20.236 -11.781 1.00 0.00 C ATOM 351 O GLU A 23 2.456 19.096 -11.336 1.00 0.00 O ATOM 352 CB GLU A 23 0.835 21.737 -10.800 1.00 0.00 C ATOM 353 CG GLU A 23 0.477 23.206 -10.959 1.00 0.00 C ATOM 354 CD GLU A 23 0.626 23.987 -9.668 1.00 0.00 C ATOM 355 OE1 GLU A 23 1.778 24.246 -9.260 1.00 0.00 O ATOM 356 OE2 GLU A 23 -0.410 24.341 -9.067 1.00 0.00 O ATOM 0 H GLU A 23 -0.026 19.518 -12.122 1.00 0.00 H new ATOM 0 HA GLU A 23 1.642 21.881 -12.779 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.046 21.192 -10.461 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.590 21.638 -10.020 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.114 23.650 -11.723 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.551 23.289 -11.313 1.00 0.00 H new ATOM 363 N THR A 24 3.765 20.784 -12.036 1.00 0.00 N ATOM 364 CA THR A 24 5.006 20.054 -11.801 1.00 0.00 C ATOM 365 C THR A 24 5.877 20.746 -10.762 1.00 0.00 C ATOM 366 O THR A 24 5.697 21.925 -10.460 1.00 0.00 O ATOM 367 CB THR A 24 5.795 19.916 -13.105 1.00 0.00 C ATOM 368 OG1 THR A 24 5.331 20.842 -14.068 1.00 0.00 O ATOM 369 CG2 THR A 24 5.711 18.537 -13.718 1.00 0.00 C ATOM 0 H THR A 24 3.891 21.727 -12.404 1.00 0.00 H new ATOM 0 HA THR A 24 4.736 19.068 -11.424 1.00 0.00 H new ATOM 0 HB THR A 24 6.833 20.109 -12.834 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.718 20.392 -14.686 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.293 18.512 -14.639 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.108 17.803 -13.017 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.670 18.300 -13.940 1.00 0.00 H new ATOM 377 N MET A 25 6.844 19.999 -10.245 1.00 0.00 N ATOM 378 CA MET A 25 7.783 20.521 -9.264 1.00 0.00 C ATOM 379 C MET A 25 9.138 20.786 -9.923 1.00 0.00 C ATOM 380 O MET A 25 10.007 21.436 -9.342 1.00 0.00 O ATOM 381 CB MET A 25 7.940 19.538 -8.102 1.00 0.00 C ATOM 382 CG MET A 25 7.519 20.115 -6.760 1.00 0.00 C ATOM 383 SD MET A 25 5.851 20.799 -6.790 1.00 0.00 S ATOM 384 CE MET A 25 4.903 19.368 -7.302 1.00 0.00 C ATOM 0 H MET A 25 6.998 19.021 -10.492 1.00 0.00 H new ATOM 0 HA MET A 25 7.394 21.461 -8.872 1.00 0.00 H new ATOM 0 HB2 MET A 25 7.347 18.647 -8.308 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.981 19.221 -8.042 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.574 19.335 -6.000 1.00 0.00 H new ATOM 0 HG3 MET A 25 8.222 20.895 -6.468 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.843 19.553 -7.129 1.00 0.00 H new ATOM 0 HE2 MET A 25 5.071 19.181 -8.363 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.218 18.498 -6.726 1.00 0.00 H new ATOM 394 N LYS A 26 9.304 20.277 -11.147 1.00 0.00 N ATOM 395 CA LYS A 26 10.537 20.452 -11.901 1.00 0.00 C ATOM 396 C LYS A 26 11.681 19.632 -11.307 1.00 0.00 C ATOM 397 O LYS A 26 12.839 19.798 -11.690 1.00 0.00 O ATOM 398 CB LYS A 26 10.920 21.931 -11.979 1.00 0.00 C ATOM 399 CG LYS A 26 9.729 22.883 -12.023 1.00 0.00 C ATOM 400 CD LYS A 26 8.660 22.430 -13.012 1.00 0.00 C ATOM 401 CE LYS A 26 9.243 22.102 -14.378 1.00 0.00 C ATOM 402 NZ LYS A 26 9.918 23.280 -14.992 1.00 0.00 N ATOM 0 H LYS A 26 8.590 19.737 -11.636 1.00 0.00 H new ATOM 0 HA LYS A 26 10.357 20.086 -12.912 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.539 22.181 -11.117 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.531 22.090 -12.867 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.291 22.959 -11.028 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.074 23.880 -12.296 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.150 21.552 -12.616 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.910 23.214 -13.118 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.957 21.284 -14.281 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.448 21.754 -15.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.272 23.024 -15.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.239 24.064 -15.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.714 23.576 -14.392 1.00 0.00 H new ATOM 416 N MET A 27 11.348 18.729 -10.389 1.00 0.00 N ATOM 417 CA MET A 27 12.342 17.860 -9.764 1.00 0.00 C ATOM 418 C MET A 27 13.584 18.643 -9.335 1.00 0.00 C ATOM 419 O MET A 27 14.678 18.088 -9.250 1.00 0.00 O ATOM 420 CB MET A 27 12.743 16.725 -10.721 1.00 0.00 C ATOM 421 CG MET A 27 11.808 16.540 -11.915 1.00 0.00 C ATOM 422 SD MET A 27 10.086 16.291 -11.433 1.00 0.00 S ATOM 423 CE MET A 27 9.234 17.224 -12.707 1.00 0.00 C ATOM 0 H MET A 27 10.394 18.579 -10.060 1.00 0.00 H new ATOM 0 HA MET A 27 11.887 17.432 -8.871 1.00 0.00 H new ATOM 0 HB2 MET A 27 13.750 16.918 -11.091 1.00 0.00 H new ATOM 0 HB3 MET A 27 12.783 15.791 -10.160 1.00 0.00 H new ATOM 0 HG2 MET A 27 11.875 17.415 -12.561 1.00 0.00 H new ATOM 0 HG3 MET A 27 12.142 15.684 -12.502 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.161 17.050 -12.629 1.00 0.00 H new ATOM 0 HE2 MET A 27 9.439 18.287 -12.578 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.584 16.903 -13.688 1.00 0.00 H new ATOM 433 N ARG A 28 13.404 19.933 -9.057 1.00 0.00 N ATOM 434 CA ARG A 28 14.505 20.796 -8.624 1.00 0.00 C ATOM 435 C ARG A 28 15.792 20.517 -9.400 1.00 0.00 C ATOM 436 O ARG A 28 16.880 20.499 -8.823 1.00 0.00 O ATOM 437 CB ARG A 28 14.760 20.614 -7.127 1.00 0.00 C ATOM 438 CG ARG A 28 13.494 20.395 -6.315 1.00 0.00 C ATOM 439 CD ARG A 28 13.326 18.936 -5.927 1.00 0.00 C ATOM 440 NE ARG A 28 12.685 18.785 -4.623 1.00 0.00 N ATOM 441 CZ ARG A 28 13.334 18.877 -3.467 1.00 0.00 C ATOM 442 NH1 ARG A 28 14.638 19.117 -3.452 1.00 0.00 N ATOM 443 NH2 ARG A 28 12.679 18.729 -2.323 1.00 0.00 N ATOM 0 H ARG A 28 12.503 20.406 -9.124 1.00 0.00 H new ATOM 0 HA ARG A 28 14.208 21.825 -8.827 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.426 19.764 -6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.278 21.494 -6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.526 21.010 -5.416 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.629 20.721 -6.893 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.731 18.426 -6.684 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.302 18.451 -5.909 1.00 0.00 H new ATOM 0 HE ARG A 28 11.683 18.598 -4.598 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.146 19.232 -4.329 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.133 19.187 -2.563 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.676 18.544 -2.330 1.00 0.00 H new ATOM 0 HH22 ARG A 28 13.178 18.800 -1.436 1.00 0.00 H new ATOM 457 N TYR A 29 15.669 20.307 -10.706 1.00 0.00 N ATOM 458 CA TYR A 29 16.832 20.037 -11.547 1.00 0.00 C ATOM 459 C TYR A 29 17.487 21.339 -11.999 1.00 0.00 C ATOM 460 O TYR A 29 18.460 21.799 -11.401 1.00 0.00 O ATOM 461 CB TYR A 29 16.430 19.208 -12.767 1.00 0.00 C ATOM 462 CG TYR A 29 16.285 17.729 -12.483 1.00 0.00 C ATOM 463 CD1 TYR A 29 17.194 17.064 -11.669 1.00 0.00 C ATOM 464 CD2 TYR A 29 15.240 16.999 -13.034 1.00 0.00 C ATOM 465 CE1 TYR A 29 17.064 15.712 -11.414 1.00 0.00 C ATOM 466 CE2 TYR A 29 15.105 15.647 -12.784 1.00 0.00 C ATOM 467 CZ TYR A 29 16.019 15.008 -11.973 1.00 0.00 C ATOM 468 OH TYR A 29 15.889 13.662 -11.723 1.00 0.00 O ATOM 0 H TYR A 29 14.779 20.318 -11.205 1.00 0.00 H new ATOM 0 HA TYR A 29 17.551 19.471 -10.955 1.00 0.00 H new ATOM 0 HB2 TYR A 29 15.485 19.587 -13.156 1.00 0.00 H new ATOM 0 HB3 TYR A 29 17.176 19.346 -13.550 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.014 17.612 -11.229 1.00 0.00 H new ATOM 0 HD2 TYR A 29 14.521 17.496 -13.668 1.00 0.00 H new ATOM 0 HE1 TYR A 29 17.778 15.209 -10.779 1.00 0.00 H new ATOM 0 HE2 TYR A 29 14.288 15.093 -13.222 1.00 0.00 H new ATOM 0 HH TYR A 29 15.100 13.317 -12.191 1.00 0.00 H new ATOM 478 N GLU A 30 16.945 21.927 -13.061 1.00 0.00 N ATOM 479 CA GLU A 30 17.468 23.175 -13.602 1.00 0.00 C ATOM 480 C GLU A 30 16.617 23.647 -14.778 1.00 0.00 C ATOM 481 O GLU A 30 15.455 23.266 -14.901 1.00 0.00 O ATOM 482 CB GLU A 30 18.921 22.988 -14.042 1.00 0.00 C ATOM 483 CG GLU A 30 19.800 24.200 -13.775 1.00 0.00 C ATOM 484 CD GLU A 30 21.060 23.849 -13.010 1.00 0.00 C ATOM 485 OE1 GLU A 30 21.728 22.863 -13.387 1.00 0.00 O ATOM 486 OE2 GLU A 30 21.378 24.559 -12.032 1.00 0.00 O ATOM 0 H GLU A 30 16.140 21.556 -13.566 1.00 0.00 H new ATOM 0 HA GLU A 30 17.430 23.935 -12.822 1.00 0.00 H new ATOM 0 HB2 GLU A 30 19.340 22.125 -13.525 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.943 22.762 -15.108 1.00 0.00 H new ATOM 0 HG2 GLU A 30 20.072 24.663 -14.724 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.231 24.940 -13.211 1.00 0.00 H new ATOM 493 N HIS A 31 17.197 24.473 -15.642 1.00 0.00 N ATOM 494 CA HIS A 31 16.478 24.982 -16.805 1.00 0.00 C ATOM 495 C HIS A 31 16.131 23.843 -17.759 1.00 0.00 C ATOM 496 O HIS A 31 16.770 23.676 -18.799 1.00 0.00 O ATOM 497 CB HIS A 31 17.312 26.038 -17.536 1.00 0.00 C ATOM 498 CG HIS A 31 18.142 26.888 -16.624 1.00 0.00 C ATOM 499 ND1 HIS A 31 19.288 27.534 -17.035 1.00 0.00 N ATOM 500 CD2 HIS A 31 17.989 27.194 -15.314 1.00 0.00 C ATOM 501 CE1 HIS A 31 19.806 28.198 -16.017 1.00 0.00 C ATOM 502 NE2 HIS A 31 19.036 28.009 -14.961 1.00 0.00 N ATOM 0 H HIS A 31 18.159 24.803 -15.560 1.00 0.00 H new ATOM 0 HA HIS A 31 15.555 25.445 -16.457 1.00 0.00 H new ATOM 0 HB2 HIS A 31 17.968 25.540 -18.250 1.00 0.00 H new ATOM 0 HB3 HIS A 31 16.645 26.681 -18.110 1.00 0.00 H new ATOM 0 HD2 HIS A 31 17.192 26.859 -14.667 1.00 0.00 H new ATOM 0 HE1 HIS A 31 20.706 28.794 -16.044 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.193 28.404 -14.034 1.00 0.00 H new ATOM 511 N ILE A 32 15.122 23.054 -17.398 1.00 0.00 N ATOM 512 CA ILE A 32 14.703 21.927 -18.222 1.00 0.00 C ATOM 513 C ILE A 32 13.638 22.338 -19.230 1.00 0.00 C ATOM 514 O ILE A 32 12.990 23.376 -19.084 1.00 0.00 O ATOM 515 CB ILE A 32 14.137 20.766 -17.376 1.00 0.00 C ATOM 516 CG1 ILE A 32 14.893 20.620 -16.054 1.00 0.00 C ATOM 517 CG2 ILE A 32 14.186 19.465 -18.164 1.00 0.00 C ATOM 518 CD1 ILE A 32 13.998 20.749 -14.841 1.00 0.00 C ATOM 0 H ILE A 32 14.581 23.175 -16.542 1.00 0.00 H new ATOM 0 HA ILE A 32 15.600 21.591 -18.742 1.00 0.00 H new ATOM 0 HB ILE A 32 13.098 20.997 -17.141 1.00 0.00 H new ATOM 0 HG12 ILE A 32 15.388 19.649 -16.031 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.675 21.378 -16.004 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.784 18.655 -17.555 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.591 19.567 -19.071 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.219 19.240 -18.431 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.594 20.636 -13.935 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.522 21.730 -14.842 1.00 0.00 H new ATOM 0 HD13 ILE A 32 13.232 19.974 -14.870 1.00 0.00 H new ATOM 530 N ASP A 33 13.452 21.499 -20.240 1.00 0.00 N ATOM 531 CA ASP A 33 12.455 21.740 -21.274 1.00 0.00 C ATOM 532 C ASP A 33 11.245 20.842 -21.049 1.00 0.00 C ATOM 533 O ASP A 33 10.564 20.445 -21.994 1.00 0.00 O ATOM 534 CB ASP A 33 13.058 21.465 -22.645 1.00 0.00 C ATOM 535 CG ASP A 33 13.614 22.716 -23.298 1.00 0.00 C ATOM 536 OD1 ASP A 33 12.809 23.572 -23.722 1.00 0.00 O ATOM 537 OD2 ASP A 33 14.854 22.839 -23.385 1.00 0.00 O ATOM 0 H ASP A 33 13.984 20.638 -20.365 1.00 0.00 H new ATOM 0 HA ASP A 33 12.136 22.781 -21.226 1.00 0.00 H new ATOM 0 HB2 ASP A 33 13.854 20.726 -22.547 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.297 21.029 -23.292 1.00 0.00 H new ATOM 542 N HIS A 34 11.012 20.517 -19.775 1.00 0.00 N ATOM 543 CA HIS A 34 9.910 19.647 -19.343 1.00 0.00 C ATOM 544 C HIS A 34 8.720 19.665 -20.304 1.00 0.00 C ATOM 545 O HIS A 34 7.991 20.652 -20.393 1.00 0.00 O ATOM 546 CB HIS A 34 9.442 20.046 -17.942 1.00 0.00 C ATOM 547 CG HIS A 34 10.183 19.351 -16.842 1.00 0.00 C ATOM 548 ND1 HIS A 34 10.926 20.023 -15.895 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.285 18.036 -16.534 1.00 0.00 C ATOM 550 CE1 HIS A 34 11.453 19.153 -15.053 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.079 17.941 -15.418 1.00 0.00 N ATOM 0 H HIS A 34 11.589 20.853 -19.004 1.00 0.00 H new ATOM 0 HA HIS A 34 10.302 18.630 -19.335 1.00 0.00 H new ATOM 0 HB2 HIS A 34 9.558 21.123 -17.822 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.378 19.827 -17.847 1.00 0.00 H new ATOM 0 HD1 HIS A 34 11.049 21.035 -15.852 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.827 17.216 -17.067 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.083 19.392 -14.209 1.00 0.00 H new ATOM 560 N THR A 35 8.528 18.552 -21.006 1.00 0.00 N ATOM 561 CA THR A 35 7.426 18.416 -21.950 1.00 0.00 C ATOM 562 C THR A 35 6.314 17.573 -21.337 1.00 0.00 C ATOM 563 O THR A 35 6.573 16.708 -20.501 1.00 0.00 O ATOM 564 CB THR A 35 7.914 17.775 -23.251 1.00 0.00 C ATOM 565 OG1 THR A 35 9.138 18.353 -23.666 1.00 0.00 O ATOM 566 CG2 THR A 35 6.933 17.913 -24.394 1.00 0.00 C ATOM 0 H THR A 35 9.125 17.728 -20.937 1.00 0.00 H new ATOM 0 HA THR A 35 7.036 19.408 -22.176 1.00 0.00 H new ATOM 0 HB THR A 35 8.033 16.716 -23.022 1.00 0.00 H new ATOM 0 HG1 THR A 35 9.434 17.929 -24.498 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.343 17.437 -25.285 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.992 17.433 -24.126 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.756 18.969 -24.596 1.00 0.00 H new ATOM 574 N PHE A 36 5.076 17.830 -21.743 1.00 0.00 N ATOM 575 CA PHE A 36 3.942 17.087 -21.209 1.00 0.00 C ATOM 576 C PHE A 36 3.081 16.506 -22.323 1.00 0.00 C ATOM 577 O PHE A 36 2.442 17.239 -23.078 1.00 0.00 O ATOM 578 CB PHE A 36 3.098 17.989 -20.310 1.00 0.00 C ATOM 579 CG PHE A 36 3.890 18.641 -19.213 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.297 17.910 -18.109 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.232 19.981 -19.289 1.00 0.00 C ATOM 582 CE1 PHE A 36 5.031 18.505 -17.100 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.964 20.581 -18.283 1.00 0.00 C ATOM 584 CZ PHE A 36 5.365 19.842 -17.187 1.00 0.00 C ATOM 0 H PHE A 36 4.834 18.540 -22.434 1.00 0.00 H new ATOM 0 HA PHE A 36 4.334 16.257 -20.621 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.629 18.762 -20.919 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.294 17.400 -19.868 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.038 16.864 -18.036 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.923 20.563 -20.144 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.343 17.925 -16.244 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.223 21.627 -18.353 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.938 20.309 -16.400 1.00 0.00 H new ATOM 594 N GLU A 37 3.061 15.180 -22.412 1.00 0.00 N ATOM 595 CA GLU A 37 2.269 14.493 -23.423 1.00 0.00 C ATOM 596 C GLU A 37 0.889 14.153 -22.871 1.00 0.00 C ATOM 597 O GLU A 37 0.755 13.319 -21.974 1.00 0.00 O ATOM 598 CB GLU A 37 2.979 13.221 -23.888 1.00 0.00 C ATOM 599 CG GLU A 37 3.814 13.417 -25.143 1.00 0.00 C ATOM 600 CD GLU A 37 3.488 12.407 -26.225 1.00 0.00 C ATOM 601 OE1 GLU A 37 2.851 11.381 -25.908 1.00 0.00 O ATOM 602 OE2 GLU A 37 3.867 12.643 -27.392 1.00 0.00 O ATOM 0 H GLU A 37 3.585 14.560 -21.795 1.00 0.00 H new ATOM 0 HA GLU A 37 2.152 15.157 -24.279 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.622 12.860 -23.086 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.235 12.446 -24.073 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.651 14.423 -25.530 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.871 13.341 -24.887 1.00 0.00 H new ATOM 609 N ILE A 38 -0.133 14.814 -23.404 1.00 0.00 N ATOM 610 CA ILE A 38 -1.504 14.594 -22.955 1.00 0.00 C ATOM 611 C ILE A 38 -2.134 13.387 -23.636 1.00 0.00 C ATOM 612 O ILE A 38 -1.974 13.182 -24.839 1.00 0.00 O ATOM 613 CB ILE A 38 -2.396 15.825 -23.222 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.594 17.122 -23.089 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.583 15.834 -22.274 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.805 17.219 -21.802 1.00 0.00 C ATOM 0 H ILE A 38 -0.039 15.506 -24.147 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.444 14.414 -21.882 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.767 15.761 -24.245 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.908 17.203 -23.932 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.277 17.969 -23.151 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.202 16.708 -22.475 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.173 14.929 -22.421 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.226 15.871 -21.245 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.262 18.164 -21.778 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.487 17.170 -20.953 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.097 16.392 -21.746 1.00 0.00 H new ATOM 628 N GLN A 39 -2.864 12.599 -22.856 1.00 0.00 N ATOM 629 CA GLN A 39 -3.544 11.418 -23.372 1.00 0.00 C ATOM 630 C GLN A 39 -4.871 11.230 -22.652 1.00 0.00 C ATOM 631 O GLN A 39 -4.904 11.112 -21.428 1.00 0.00 O ATOM 632 CB GLN A 39 -2.671 10.175 -23.195 1.00 0.00 C ATOM 633 CG GLN A 39 -3.144 8.984 -24.012 1.00 0.00 C ATOM 634 CD GLN A 39 -2.083 7.912 -24.152 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.256 6.787 -23.685 1.00 0.00 O ATOM 636 NE2 GLN A 39 -0.975 8.254 -24.799 1.00 0.00 N ATOM 0 H GLN A 39 -3.000 12.758 -21.858 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.731 11.560 -24.436 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.646 10.416 -23.478 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.654 9.899 -22.141 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.029 8.555 -23.542 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.443 9.325 -25.003 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.872 9.198 -25.171 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -0.227 7.572 -24.924 1.00 0.00 H new ATOM 645 N TYR A 40 -5.966 11.210 -23.406 1.00 0.00 N ATOM 646 CA TYR A 40 -7.284 11.044 -22.809 1.00 0.00 C ATOM 647 C TYR A 40 -8.007 9.824 -23.373 1.00 0.00 C ATOM 648 O TYR A 40 -8.349 9.772 -24.554 1.00 0.00 O ATOM 649 CB TYR A 40 -8.141 12.309 -22.985 1.00 0.00 C ATOM 650 CG TYR A 40 -7.940 13.041 -24.296 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.703 13.569 -24.645 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.997 13.212 -25.181 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.525 14.243 -25.837 1.00 0.00 C ATOM 654 CE2 TYR A 40 -8.827 13.886 -26.375 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.590 14.398 -26.699 1.00 0.00 C ATOM 656 OH TYR A 40 -7.416 15.071 -27.888 1.00 0.00 O ATOM 0 H TYR A 40 -5.966 11.306 -24.421 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.134 10.880 -21.742 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -9.192 12.033 -22.898 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.923 12.995 -22.166 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.866 13.450 -23.972 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.968 12.811 -24.931 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.557 14.647 -26.093 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.660 14.011 -27.051 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.264 15.091 -28.380 1.00 0.00 H new ATOM 666 N ARG A 41 -8.236 8.851 -22.499 1.00 0.00 N ATOM 667 CA ARG A 41 -8.922 7.613 -22.850 1.00 0.00 C ATOM 668 C ARG A 41 -10.329 7.650 -22.277 1.00 0.00 C ATOM 669 O ARG A 41 -10.630 8.493 -21.439 1.00 0.00 O ATOM 670 CB ARG A 41 -8.122 6.423 -22.290 1.00 0.00 C ATOM 671 CG ARG A 41 -8.830 5.073 -22.315 1.00 0.00 C ATOM 672 CD ARG A 41 -9.663 4.833 -21.064 1.00 0.00 C ATOM 673 NE ARG A 41 -10.401 3.571 -21.127 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.919 2.405 -20.698 1.00 0.00 C ATOM 675 NH1 ARG A 41 -8.689 2.323 -20.208 1.00 0.00 N ATOM 676 NH2 ARG A 41 -10.668 1.313 -20.767 1.00 0.00 N ATOM 0 H ARG A 41 -7.949 8.899 -21.521 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.993 7.502 -23.932 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.194 6.335 -22.856 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.847 6.648 -21.260 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.474 5.019 -23.193 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.090 4.279 -22.413 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.011 4.828 -20.191 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -10.365 5.657 -20.933 1.00 0.00 H new ATOM 0 HE ARG A 41 -11.341 3.585 -21.523 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.104 3.157 -20.157 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.329 1.426 -19.882 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.613 1.366 -21.148 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.300 0.420 -20.439 1.00 0.00 H new ATOM 690 N LYS A 42 -11.199 6.762 -22.727 1.00 0.00 N ATOM 691 CA LYS A 42 -12.563 6.746 -22.222 1.00 0.00 C ATOM 692 C LYS A 42 -12.945 5.364 -21.725 1.00 0.00 C ATOM 693 O LYS A 42 -12.515 4.349 -22.274 1.00 0.00 O ATOM 694 CB LYS A 42 -13.550 7.216 -23.293 1.00 0.00 C ATOM 695 CG LYS A 42 -12.927 8.136 -24.321 1.00 0.00 C ATOM 696 CD LYS A 42 -13.888 8.450 -25.456 1.00 0.00 C ATOM 697 CE LYS A 42 -13.799 7.403 -26.555 1.00 0.00 C ATOM 698 NZ LYS A 42 -14.549 7.807 -27.775 1.00 0.00 N ATOM 0 H LYS A 42 -10.991 6.053 -23.430 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.611 7.438 -21.381 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.967 6.346 -23.800 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.380 7.732 -22.810 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.619 9.064 -23.839 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.027 7.673 -24.725 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.907 8.493 -25.072 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.661 9.433 -25.867 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.753 7.236 -26.812 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -14.192 6.456 -26.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.518 7.036 -28.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.538 8.008 -27.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.115 8.660 -28.182 1.00 0.00 H new ATOM 712 N ASP A 43 -13.761 5.335 -20.681 1.00 0.00 N ATOM 713 CA ASP A 43 -14.218 4.086 -20.089 1.00 0.00 C ATOM 714 C ASP A 43 -14.701 3.110 -21.167 1.00 0.00 C ATOM 715 O ASP A 43 -14.691 1.897 -20.964 1.00 0.00 O ATOM 716 CB ASP A 43 -15.335 4.378 -19.079 1.00 0.00 C ATOM 717 CG ASP A 43 -16.076 3.131 -18.630 1.00 0.00 C ATOM 718 OD1 ASP A 43 -15.450 2.052 -18.588 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.281 3.237 -18.320 1.00 0.00 O ATOM 0 H ASP A 43 -14.123 6.171 -20.223 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.382 3.615 -19.572 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -14.907 4.873 -18.207 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.045 5.075 -19.524 1.00 0.00 H new ATOM 724 N THR A 44 -15.122 3.646 -22.310 1.00 0.00 N ATOM 725 CA THR A 44 -15.605 2.818 -23.409 1.00 0.00 C ATOM 726 C THR A 44 -14.450 2.328 -24.283 1.00 0.00 C ATOM 727 O THR A 44 -14.524 1.252 -24.875 1.00 0.00 O ATOM 728 CB THR A 44 -16.607 3.604 -24.258 1.00 0.00 C ATOM 729 OG1 THR A 44 -17.305 2.741 -25.137 1.00 0.00 O ATOM 730 CG2 THR A 44 -15.964 4.689 -25.094 1.00 0.00 C ATOM 0 H THR A 44 -15.138 4.648 -22.498 1.00 0.00 H new ATOM 0 HA THR A 44 -16.100 1.946 -22.982 1.00 0.00 H new ATOM 0 HB THR A 44 -17.284 4.073 -23.544 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.942 3.262 -25.670 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.731 5.206 -25.671 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.459 5.401 -24.441 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.238 4.243 -25.774 1.00 0.00 H new ATOM 738 N ALA A 45 -13.387 3.125 -24.361 1.00 0.00 N ATOM 739 CA ALA A 45 -12.221 2.770 -25.168 1.00 0.00 C ATOM 740 C ALA A 45 -11.144 2.098 -24.322 1.00 0.00 C ATOM 741 O ALA A 45 -11.331 1.873 -23.127 1.00 0.00 O ATOM 742 CB ALA A 45 -11.658 4.006 -25.852 1.00 0.00 C ATOM 0 H ALA A 45 -13.308 4.019 -23.877 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.543 2.058 -25.928 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.790 3.728 -26.450 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.419 4.442 -26.499 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.361 4.735 -25.098 1.00 0.00 H new ATOM 748 N THR A 46 -10.015 1.778 -24.952 1.00 0.00 N ATOM 749 CA THR A 46 -8.905 1.128 -24.260 1.00 0.00 C ATOM 750 C THR A 46 -7.572 1.789 -24.616 1.00 0.00 C ATOM 751 O THR A 46 -6.614 1.117 -25.002 1.00 0.00 O ATOM 752 CB THR A 46 -8.870 -0.362 -24.611 1.00 0.00 C ATOM 753 OG1 THR A 46 -9.820 -0.661 -25.617 1.00 0.00 O ATOM 754 CG2 THR A 46 -9.154 -1.262 -23.429 1.00 0.00 C ATOM 0 H THR A 46 -9.845 1.959 -25.941 1.00 0.00 H new ATOM 0 HA THR A 46 -9.059 1.238 -23.187 1.00 0.00 H new ATOM 0 HB THR A 46 -7.854 -0.554 -24.957 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.782 -1.617 -25.829 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.114 -2.304 -23.747 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.408 -1.090 -22.653 1.00 0.00 H new ATOM 0 HG23 THR A 46 -10.146 -1.041 -23.034 1.00 0.00 H new ATOM 762 N TRP A 47 -7.516 3.109 -24.482 1.00 0.00 N ATOM 763 CA TRP A 47 -6.302 3.863 -24.788 1.00 0.00 C ATOM 764 C TRP A 47 -5.921 3.738 -26.264 1.00 0.00 C ATOM 765 O TRP A 47 -4.804 4.083 -26.651 1.00 0.00 O ATOM 766 CB TRP A 47 -5.138 3.382 -23.916 1.00 0.00 C ATOM 767 CG TRP A 47 -5.372 3.562 -22.446 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.718 2.595 -21.548 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.273 4.785 -21.703 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.842 3.139 -20.292 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.576 4.481 -20.361 1.00 0.00 C ATOM 772 CE3 TRP A 47 -4.960 6.105 -22.040 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.573 5.450 -19.360 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -4.959 7.064 -21.045 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.263 6.733 -19.720 1.00 0.00 C ATOM 0 H TRP A 47 -8.297 3.682 -24.163 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.507 4.912 -24.574 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.955 2.327 -24.119 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.235 3.923 -24.200 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.872 1.554 -21.789 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.092 2.627 -19.446 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.723 6.371 -23.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.807 5.197 -18.336 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.719 8.087 -21.295 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.253 7.506 -18.966 1.00 0.00 H new ATOM 786 N LYS A 48 -6.847 3.248 -27.085 1.00 0.00 N ATOM 787 CA LYS A 48 -6.589 3.087 -28.512 1.00 0.00 C ATOM 788 C LYS A 48 -7.122 4.279 -29.298 1.00 0.00 C ATOM 789 O LYS A 48 -6.590 4.631 -30.352 1.00 0.00 O ATOM 790 CB LYS A 48 -7.224 1.793 -29.026 1.00 0.00 C ATOM 791 CG LYS A 48 -6.528 0.537 -28.530 1.00 0.00 C ATOM 792 CD LYS A 48 -7.469 -0.343 -27.725 1.00 0.00 C ATOM 793 CE LYS A 48 -6.778 -1.611 -27.253 1.00 0.00 C ATOM 794 NZ LYS A 48 -5.635 -1.313 -26.346 1.00 0.00 N ATOM 0 H LYS A 48 -7.778 2.957 -26.788 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.510 3.033 -28.657 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.270 1.764 -28.720 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.211 1.799 -30.116 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.141 -0.025 -29.380 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.672 0.814 -27.915 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.841 0.212 -26.864 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.335 -0.604 -28.334 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.497 -2.246 -26.735 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.420 -2.173 -28.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.471 -2.124 -25.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.780 -1.136 -26.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.854 -0.471 -25.777 1.00 0.00 H new ATOM 808 N ASP A 49 -8.175 4.898 -28.777 1.00 0.00 N ATOM 809 CA ASP A 49 -8.782 6.055 -29.424 1.00 0.00 C ATOM 810 C ASP A 49 -8.302 7.356 -28.784 1.00 0.00 C ATOM 811 O ASP A 49 -8.413 8.428 -29.378 1.00 0.00 O ATOM 812 CB ASP A 49 -10.306 5.965 -29.340 1.00 0.00 C ATOM 813 CG ASP A 49 -10.866 4.827 -30.172 1.00 0.00 C ATOM 814 OD1 ASP A 49 -10.832 4.928 -31.416 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.335 3.834 -29.578 1.00 0.00 O ATOM 0 H ASP A 49 -8.627 4.617 -27.907 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.478 6.056 -30.471 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.602 5.831 -28.300 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.742 6.906 -29.676 1.00 0.00 H new ATOM 820 N SER A 50 -7.773 7.256 -27.566 1.00 0.00 N ATOM 821 CA SER A 50 -7.283 8.424 -26.847 1.00 0.00 C ATOM 822 C SER A 50 -6.322 9.243 -27.705 1.00 0.00 C ATOM 823 O SER A 50 -5.391 8.702 -28.301 1.00 0.00 O ATOM 824 CB SER A 50 -6.583 7.994 -25.556 1.00 0.00 C ATOM 825 OG SER A 50 -5.539 7.074 -25.823 1.00 0.00 O ATOM 0 H SER A 50 -7.674 6.377 -27.059 1.00 0.00 H new ATOM 0 HA SER A 50 -8.142 9.049 -26.604 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.179 8.870 -25.049 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.307 7.540 -24.880 1.00 0.00 H new ATOM 0 HG SER A 50 -5.162 7.255 -26.709 1.00 0.00 H new ATOM 831 N LYS A 51 -6.553 10.552 -27.757 1.00 0.00 N ATOM 832 CA LYS A 51 -5.709 11.453 -28.532 1.00 0.00 C ATOM 833 C LYS A 51 -4.444 11.804 -27.756 1.00 0.00 C ATOM 834 O LYS A 51 -4.477 11.970 -26.538 1.00 0.00 O ATOM 835 CB LYS A 51 -6.481 12.725 -28.882 1.00 0.00 C ATOM 836 CG LYS A 51 -6.687 12.920 -30.373 1.00 0.00 C ATOM 837 CD LYS A 51 -6.264 14.311 -30.817 1.00 0.00 C ATOM 838 CE LYS A 51 -5.516 14.271 -32.140 1.00 0.00 C ATOM 839 NZ LYS A 51 -4.178 13.632 -32.003 1.00 0.00 N ATOM 0 H LYS A 51 -7.321 11.013 -27.269 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.420 10.948 -29.454 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.453 12.697 -28.390 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.946 13.586 -28.482 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.114 12.172 -30.921 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.737 12.762 -30.620 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -7.144 14.946 -30.915 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.630 14.761 -30.053 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.106 13.723 -32.874 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.396 15.286 -32.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.569 13.928 -32.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.745 13.923 -31.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.284 12.598 -32.017 1.00 0.00 H new ATOM 853 N THR A 52 -3.328 11.910 -28.471 1.00 0.00 N ATOM 854 CA THR A 52 -2.050 12.235 -27.845 1.00 0.00 C ATOM 855 C THR A 52 -1.605 13.653 -28.194 1.00 0.00 C ATOM 856 O THR A 52 -1.040 13.890 -29.262 1.00 0.00 O ATOM 857 CB THR A 52 -0.975 11.235 -28.281 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.282 9.934 -27.811 1.00 0.00 O ATOM 859 CG2 THR A 52 0.414 11.588 -27.787 1.00 0.00 C ATOM 0 H THR A 52 -3.282 11.776 -29.481 1.00 0.00 H new ATOM 0 HA THR A 52 -2.185 12.174 -26.765 1.00 0.00 H new ATOM 0 HB THR A 52 -0.972 11.272 -29.370 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.585 9.309 -28.100 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.125 10.837 -28.133 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.701 12.565 -28.175 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.417 11.615 -26.697 1.00 0.00 H new ATOM 867 N GLU A 53 -1.850 14.588 -27.282 1.00 0.00 N ATOM 868 CA GLU A 53 -1.458 15.975 -27.492 1.00 0.00 C ATOM 869 C GLU A 53 -0.093 16.239 -26.872 1.00 0.00 C ATOM 870 O GLU A 53 0.239 15.691 -25.821 1.00 0.00 O ATOM 871 CB GLU A 53 -2.496 16.930 -26.900 1.00 0.00 C ATOM 872 CG GLU A 53 -3.870 16.792 -27.529 1.00 0.00 C ATOM 873 CD GLU A 53 -4.531 18.132 -27.789 1.00 0.00 C ATOM 874 OE1 GLU A 53 -4.542 18.976 -26.868 1.00 0.00 O ATOM 875 OE2 GLU A 53 -5.036 18.337 -28.911 1.00 0.00 O ATOM 0 H GLU A 53 -2.317 14.410 -26.393 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.400 16.152 -28.566 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.576 16.749 -25.828 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.149 17.955 -27.025 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.782 16.246 -28.468 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.507 16.198 -26.874 1.00 0.00 H new ATOM 882 N THR A 54 0.695 17.075 -27.530 1.00 0.00 N ATOM 883 CA THR A 54 2.027 17.406 -27.048 1.00 0.00 C ATOM 884 C THR A 54 2.063 18.816 -26.472 1.00 0.00 C ATOM 885 O THR A 54 2.017 19.802 -27.208 1.00 0.00 O ATOM 886 CB THR A 54 3.042 17.270 -28.180 1.00 0.00 C ATOM 887 OG1 THR A 54 2.403 17.378 -29.441 1.00 0.00 O ATOM 888 CG2 THR A 54 3.788 15.954 -28.154 1.00 0.00 C ATOM 0 H THR A 54 0.435 17.538 -28.401 1.00 0.00 H new ATOM 0 HA THR A 54 2.287 16.708 -26.252 1.00 0.00 H new ATOM 0 HB THR A 54 3.757 18.079 -28.030 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.069 17.290 -30.154 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.494 15.919 -28.984 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.330 15.861 -27.213 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.079 15.132 -28.247 1.00 0.00 H new ATOM 896 N LEU A 55 2.143 18.902 -25.149 1.00 0.00 N ATOM 897 CA LEU A 55 2.181 20.189 -24.466 1.00 0.00 C ATOM 898 C LEU A 55 3.613 20.569 -24.100 1.00 0.00 C ATOM 899 O LEU A 55 4.115 20.188 -23.042 1.00 0.00 O ATOM 900 CB LEU A 55 1.309 20.138 -23.206 1.00 0.00 C ATOM 901 CG LEU A 55 -0.139 20.631 -23.369 1.00 0.00 C ATOM 902 CD1 LEU A 55 -0.241 22.102 -22.993 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.653 20.402 -24.786 1.00 0.00 C ATOM 0 H LEU A 55 2.183 18.094 -24.528 1.00 0.00 H new ATOM 0 HA LEU A 55 1.790 20.949 -25.142 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.283 19.109 -22.847 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.790 20.734 -22.431 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.768 20.050 -22.694 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.271 22.438 -23.113 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.065 22.234 -21.955 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.410 22.689 -23.641 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.679 20.762 -24.864 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.024 20.943 -25.493 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -0.624 19.337 -25.016 1.00 0.00 H new ATOM 915 N GLN A 56 4.263 21.320 -24.983 1.00 0.00 N ATOM 916 CA GLN A 56 5.639 21.751 -24.755 1.00 0.00 C ATOM 917 C GLN A 56 5.686 22.973 -23.843 1.00 0.00 C ATOM 918 O GLN A 56 5.185 24.041 -24.193 1.00 0.00 O ATOM 919 CB GLN A 56 6.321 22.068 -26.087 1.00 0.00 C ATOM 920 CG GLN A 56 7.710 21.464 -26.218 1.00 0.00 C ATOM 921 CD GLN A 56 7.995 20.957 -27.618 1.00 0.00 C ATOM 922 OE1 GLN A 56 7.246 21.234 -28.554 1.00 0.00 O ATOM 923 NE2 GLN A 56 9.083 20.211 -27.767 1.00 0.00 N ATOM 0 H GLN A 56 3.860 21.643 -25.863 1.00 0.00 H new ATOM 0 HA GLN A 56 6.171 20.936 -24.265 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.696 21.702 -26.902 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.392 23.150 -26.201 1.00 0.00 H new ATOM 0 HG2 GLN A 56 8.455 22.213 -25.948 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.813 20.642 -25.510 1.00 0.00 H new ATOM 0 HE21 GLN A 56 9.675 20.007 -26.962 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.327 19.842 -28.686 1.00 0.00 H new ATOM 932 N ASN A 57 6.295 22.809 -22.673 1.00 0.00 N ATOM 933 CA ASN A 57 6.410 23.900 -21.712 1.00 0.00 C ATOM 934 C ASN A 57 5.039 24.475 -21.373 1.00 0.00 C ATOM 935 O ASN A 57 4.814 25.680 -21.493 1.00 0.00 O ATOM 936 CB ASN A 57 7.313 25.004 -22.264 1.00 0.00 C ATOM 937 CG ASN A 57 8.786 24.665 -22.140 1.00 0.00 C ATOM 938 OD1 ASN A 57 9.539 25.359 -21.458 1.00 0.00 O ATOM 939 ND2 ASN A 57 9.204 23.593 -22.803 1.00 0.00 N ATOM 0 H ASN A 57 6.716 21.932 -22.368 1.00 0.00 H new ATOM 0 HA ASN A 57 6.853 23.499 -20.800 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.070 25.177 -23.312 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.111 25.934 -21.732 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.185 23.316 -22.759 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.544 23.046 -23.357 1.00 0.00 H new ATOM 946 N ALA A 58 4.126 23.608 -20.950 1.00 0.00 N ATOM 947 CA ALA A 58 2.777 24.032 -20.595 1.00 0.00 C ATOM 948 C ALA A 58 2.271 23.279 -19.370 1.00 0.00 C ATOM 949 O ALA A 58 2.799 22.226 -19.015 1.00 0.00 O ATOM 950 CB ALA A 58 1.835 23.831 -21.772 1.00 0.00 C ATOM 0 H ALA A 58 4.295 22.608 -20.845 1.00 0.00 H new ATOM 0 HA ALA A 58 2.807 25.093 -20.348 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.831 24.152 -21.493 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.182 24.421 -22.620 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.816 22.776 -22.047 1.00 0.00 H new ATOM 956 N HIS A 59 1.246 23.828 -18.724 1.00 0.00 N ATOM 957 CA HIS A 59 0.674 23.207 -17.535 1.00 0.00 C ATOM 958 C HIS A 59 -0.826 22.971 -17.697 1.00 0.00 C ATOM 959 O HIS A 59 -1.558 22.883 -16.711 1.00 0.00 O ATOM 960 CB HIS A 59 0.932 24.079 -16.306 1.00 0.00 C ATOM 961 CG HIS A 59 2.272 23.846 -15.679 1.00 0.00 C ATOM 962 ND1 HIS A 59 2.695 24.500 -14.541 1.00 0.00 N ATOM 963 CD2 HIS A 59 3.288 23.026 -16.039 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.913 24.093 -14.230 1.00 0.00 C ATOM 965 NE2 HIS A 59 4.296 23.198 -15.122 1.00 0.00 N ATOM 0 H HIS A 59 0.796 24.700 -19.004 1.00 0.00 H new ATOM 0 HA HIS A 59 1.158 22.240 -17.400 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.850 25.128 -16.591 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.155 23.889 -15.566 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.303 22.360 -16.889 1.00 0.00 H new ATOM 0 HE1 HIS A 59 4.497 24.435 -13.388 1.00 0.00 H new ATOM 0 HE2 HIS A 59 5.194 22.714 -15.129 1.00 0.00 H new ATOM 974 N SER A 60 -1.279 22.866 -18.944 1.00 0.00 N ATOM 975 CA SER A 60 -2.693 22.635 -19.228 1.00 0.00 C ATOM 976 C SER A 60 -2.983 22.757 -20.720 1.00 0.00 C ATOM 977 O SER A 60 -2.252 23.423 -21.452 1.00 0.00 O ATOM 978 CB SER A 60 -3.566 23.628 -18.453 1.00 0.00 C ATOM 979 OG SER A 60 -3.077 24.952 -18.589 1.00 0.00 O ATOM 0 H SER A 60 -0.689 22.937 -19.773 1.00 0.00 H new ATOM 0 HA SER A 60 -2.931 21.620 -18.909 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.592 23.577 -18.818 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.588 23.352 -17.399 1.00 0.00 H new ATOM 0 HG SER A 60 -3.652 25.566 -18.087 1.00 0.00 H new ATOM 985 N MET A 61 -4.062 22.116 -21.160 1.00 0.00 N ATOM 986 CA MET A 61 -4.459 22.157 -22.560 1.00 0.00 C ATOM 987 C MET A 61 -5.949 22.462 -22.677 1.00 0.00 C ATOM 988 O MET A 61 -6.555 22.997 -21.749 1.00 0.00 O ATOM 989 CB MET A 61 -4.141 20.828 -23.243 1.00 0.00 C ATOM 990 CG MET A 61 -5.030 19.689 -22.785 1.00 0.00 C ATOM 991 SD MET A 61 -5.976 18.957 -24.133 1.00 0.00 S ATOM 992 CE MET A 61 -5.428 17.256 -24.049 1.00 0.00 C ATOM 0 H MET A 61 -4.677 21.561 -20.564 1.00 0.00 H new ATOM 0 HA MET A 61 -3.897 22.948 -23.056 1.00 0.00 H new ATOM 0 HB2 MET A 61 -4.244 20.948 -24.321 1.00 0.00 H new ATOM 0 HB3 MET A 61 -3.100 20.568 -23.049 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.415 18.919 -22.319 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.717 20.054 -22.022 1.00 0.00 H new ATOM 0 HE1 MET A 61 -5.913 16.678 -24.835 1.00 0.00 H new ATOM 0 HE2 MET A 61 -4.347 17.215 -24.183 1.00 0.00 H new ATOM 0 HE3 MET A 61 -5.689 16.837 -23.077 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.538 22.114 -23.815 1.00 0.00 N ATOM 1003 CA ALA A 62 -7.956 22.347 -24.038 1.00 0.00 C ATOM 1004 C ALA A 62 -8.591 21.163 -24.753 1.00 0.00 C ATOM 1005 O ALA A 62 -8.770 21.187 -25.972 1.00 0.00 O ATOM 1006 CB ALA A 62 -8.166 23.625 -24.834 1.00 0.00 C ATOM 0 H ALA A 62 -6.054 21.670 -24.596 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.441 22.460 -23.068 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.233 23.784 -24.992 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.751 24.469 -24.283 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.665 23.539 -25.798 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.927 20.124 -23.989 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.547 18.921 -24.550 1.00 0.00 C ATOM 1014 C LEU A 63 -10.602 19.284 -25.597 1.00 0.00 C ATOM 1015 O LEU A 63 -11.715 19.684 -25.256 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.180 18.088 -23.436 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.188 17.443 -22.469 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -9.905 16.947 -21.225 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -8.442 16.306 -23.150 1.00 0.00 C ATOM 0 H LEU A 63 -8.781 20.090 -22.980 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.769 18.334 -25.039 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.857 18.725 -22.867 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.785 17.303 -23.889 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.460 18.196 -22.167 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.184 16.490 -20.547 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.391 17.786 -20.727 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.655 16.208 -21.508 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.740 15.859 -22.446 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.154 15.551 -23.482 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -7.896 16.693 -24.011 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.251 19.171 -26.891 1.00 0.00 N ATOM 1032 CA PRO A 64 -11.150 19.512 -27.988 1.00 0.00 C ATOM 1033 C PRO A 64 -11.997 18.338 -28.478 1.00 0.00 C ATOM 1034 O PRO A 64 -13.223 18.433 -28.535 1.00 0.00 O ATOM 1035 CB PRO A 64 -10.175 19.958 -29.076 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.924 19.173 -28.834 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.939 18.729 -27.387 1.00 0.00 C ATOM 0 HA PRO A 64 -11.887 20.259 -27.693 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.577 19.760 -30.069 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.984 21.030 -29.017 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.878 18.311 -29.499 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.043 19.782 -29.039 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.823 17.649 -27.300 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.125 19.183 -26.822 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.343 17.243 -28.851 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.051 16.073 -29.357 1.00 0.00 C ATOM 1047 C ALA A 65 -12.426 15.100 -28.244 1.00 0.00 C ATOM 1048 O ALA A 65 -11.700 14.146 -27.970 1.00 0.00 O ATOM 1049 CB ALA A 65 -11.209 15.364 -30.406 1.00 0.00 C ATOM 0 H ALA A 65 -10.329 17.141 -28.813 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.978 16.426 -29.809 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.748 14.492 -30.777 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.009 16.045 -31.233 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -10.266 15.046 -29.961 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.578 15.331 -27.622 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.055 14.454 -26.561 1.00 0.00 C ATOM 1057 C LEU A 66 -15.409 13.859 -26.939 1.00 0.00 C ATOM 1058 O LEU A 66 -15.886 14.048 -28.057 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.159 15.200 -25.224 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.943 16.055 -24.831 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.916 16.268 -23.322 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.640 15.418 -25.299 1.00 0.00 C ATOM 0 H LEU A 66 -14.195 16.115 -27.834 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.331 13.648 -26.440 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.036 15.846 -25.259 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.333 14.468 -24.435 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.038 17.021 -25.326 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.051 16.875 -23.056 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.827 16.779 -23.010 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.851 15.303 -22.819 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.801 16.048 -25.005 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.532 14.434 -24.843 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.654 15.316 -26.384 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.021 13.134 -26.008 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.316 12.509 -26.262 1.00 0.00 C ATOM 1076 C GLU A 67 -18.227 12.608 -25.041 1.00 0.00 C ATOM 1077 O GLU A 67 -17.774 12.474 -23.904 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.126 11.041 -26.646 1.00 0.00 C ATOM 1079 CG GLU A 67 -17.103 10.802 -28.146 1.00 0.00 C ATOM 1080 CD GLU A 67 -15.772 10.264 -28.630 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -14.725 10.757 -28.157 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -15.774 9.349 -29.480 1.00 0.00 O ATOM 0 H GLU A 67 -15.644 12.965 -25.075 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.789 13.042 -27.087 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.193 10.679 -26.215 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.930 10.452 -26.205 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.893 10.099 -28.410 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.322 11.736 -28.662 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.533 12.842 -25.264 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.511 12.956 -24.184 1.00 0.00 C ATOM 1091 C PRO A 68 -20.988 11.594 -23.689 1.00 0.00 C ATOM 1092 O PRO A 68 -20.868 10.592 -24.393 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.656 13.717 -24.841 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.604 13.311 -26.273 1.00 0.00 C ATOM 1095 CD PRO A 68 -20.158 13.014 -26.589 1.00 0.00 C ATOM 0 HA PRO A 68 -20.099 13.447 -23.302 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.614 13.458 -24.390 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.532 14.794 -24.730 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.226 12.434 -26.449 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -21.985 14.106 -26.914 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -20.059 12.115 -27.197 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.695 13.829 -27.146 1.00 0.00 H new ATOM 1103 N SER A 69 -21.531 11.563 -22.475 1.00 0.00 N ATOM 1104 CA SER A 69 -22.026 10.321 -21.893 1.00 0.00 C ATOM 1105 C SER A 69 -20.952 9.238 -21.929 1.00 0.00 C ATOM 1106 O SER A 69 -21.196 8.124 -22.392 1.00 0.00 O ATOM 1107 CB SER A 69 -23.271 9.844 -22.643 1.00 0.00 C ATOM 1108 OG SER A 69 -22.918 9.113 -23.805 1.00 0.00 O ATOM 0 H SER A 69 -21.639 12.382 -21.877 1.00 0.00 H new ATOM 0 HA SER A 69 -22.288 10.515 -20.853 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.877 9.220 -21.987 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.883 10.702 -22.921 1.00 0.00 H new ATOM 0 HG SER A 69 -22.513 8.259 -23.544 1.00 0.00 H new ATOM 1114 N THR A 70 -19.764 9.573 -21.439 1.00 0.00 N ATOM 1115 CA THR A 70 -18.653 8.629 -21.416 1.00 0.00 C ATOM 1116 C THR A 70 -17.604 9.060 -20.398 1.00 0.00 C ATOM 1117 O THR A 70 -17.382 10.253 -20.192 1.00 0.00 O ATOM 1118 CB THR A 70 -18.018 8.527 -22.809 1.00 0.00 C ATOM 1119 OG1 THR A 70 -18.942 7.991 -23.740 1.00 0.00 O ATOM 1120 CG2 THR A 70 -16.771 7.663 -22.855 1.00 0.00 C ATOM 0 H THR A 70 -19.545 10.491 -21.052 1.00 0.00 H new ATOM 0 HA THR A 70 -19.038 7.651 -21.127 1.00 0.00 H new ATOM 0 HB THR A 70 -17.735 9.548 -23.065 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.718 7.631 -23.261 1.00 0.00 H new ATOM 0 HG21 THR A 70 -16.381 7.641 -23.873 1.00 0.00 H new ATOM 0 HG22 THR A 70 -16.016 8.077 -22.186 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.019 6.650 -22.539 1.00 0.00 H new ATOM 1128 N ARG A 71 -16.947 8.087 -19.777 1.00 0.00 N ATOM 1129 CA ARG A 71 -15.909 8.383 -18.800 1.00 0.00 C ATOM 1130 C ARG A 71 -14.626 8.739 -19.534 1.00 0.00 C ATOM 1131 O ARG A 71 -14.430 8.322 -20.674 1.00 0.00 O ATOM 1132 CB ARG A 71 -15.677 7.185 -17.876 1.00 0.00 C ATOM 1133 CG ARG A 71 -15.758 7.533 -16.400 1.00 0.00 C ATOM 1134 CD ARG A 71 -15.847 6.285 -15.537 1.00 0.00 C ATOM 1135 NE ARG A 71 -15.364 6.524 -14.180 1.00 0.00 N ATOM 1136 CZ ARG A 71 -15.340 5.593 -13.231 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -15.781 4.370 -13.489 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -14.878 5.887 -12.024 1.00 0.00 N ATOM 0 H ARG A 71 -17.114 7.093 -19.932 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.225 9.225 -18.184 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.415 6.415 -18.101 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.697 6.758 -18.087 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -14.881 8.113 -16.113 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -16.629 8.163 -16.221 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.881 5.943 -15.499 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.264 5.486 -15.994 1.00 0.00 H new ATOM 0 HE ARG A 71 -15.026 7.458 -13.947 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.139 4.142 -14.416 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -15.762 3.657 -12.760 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.540 6.828 -11.822 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.860 5.172 -11.297 1.00 0.00 H new ATOM 1152 N TYR A 72 -13.764 9.526 -18.904 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.526 9.933 -19.553 1.00 0.00 C ATOM 1154 C TYR A 72 -11.305 9.719 -18.665 1.00 0.00 C ATOM 1155 O TYR A 72 -11.047 10.482 -17.735 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.615 11.391 -20.005 1.00 0.00 C ATOM 1157 CG TYR A 72 -12.969 11.523 -21.467 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.120 10.932 -21.971 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -12.151 12.220 -22.347 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.446 11.027 -23.308 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -12.474 12.325 -23.687 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.621 11.724 -24.161 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.941 11.815 -25.495 1.00 0.00 O ATOM 0 H TYR A 72 -13.896 9.890 -17.960 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.397 9.296 -20.428 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.363 11.909 -19.405 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.661 11.884 -19.820 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -14.772 10.388 -21.304 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.249 12.687 -21.979 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.343 10.557 -23.683 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.832 12.875 -24.359 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.148 11.616 -26.036 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.559 8.671 -18.988 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.347 8.307 -18.270 1.00 0.00 C ATOM 1175 C TRP A 73 -8.120 8.880 -18.971 1.00 0.00 C ATOM 1176 O TRP A 73 -7.557 8.247 -19.862 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.242 6.787 -18.217 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.380 6.149 -17.486 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.626 5.883 -17.983 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.386 5.703 -16.125 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.404 5.299 -17.012 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.666 5.178 -15.864 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.434 5.697 -15.102 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.017 4.653 -14.623 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.783 5.174 -13.871 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.065 4.659 -13.641 1.00 0.00 C ATOM 0 H TRP A 73 -10.781 8.045 -19.762 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.392 8.715 -17.260 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.205 6.395 -19.233 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.305 6.509 -17.734 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.951 6.100 -18.990 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.373 5.004 -17.127 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.444 6.094 -15.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.005 4.256 -14.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.055 5.162 -13.073 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.307 4.258 -12.668 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.710 10.080 -18.582 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.555 10.709 -19.207 1.00 0.00 C ATOM 1199 C ALA A 74 -5.310 10.604 -18.338 1.00 0.00 C ATOM 1200 O ALA A 74 -5.372 10.185 -17.182 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.850 12.165 -19.527 1.00 0.00 C ATOM 0 H ALA A 74 -8.153 10.631 -17.847 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.356 10.172 -20.134 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.976 12.619 -19.994 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.697 12.223 -20.210 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.089 12.699 -18.607 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.179 10.996 -18.912 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.905 10.963 -18.210 1.00 0.00 C ATOM 1209 C ARG A 75 -1.937 11.955 -18.838 1.00 0.00 C ATOM 1210 O ARG A 75 -2.280 12.642 -19.801 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.311 9.552 -18.236 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.557 8.810 -19.540 1.00 0.00 C ATOM 1213 CD ARG A 75 -2.022 7.389 -19.481 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.173 6.690 -20.755 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.897 5.400 -20.924 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -1.451 4.677 -19.906 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.063 4.833 -22.111 1.00 0.00 N ATOM 0 H ARG A 75 -4.120 11.343 -19.869 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.074 11.244 -17.171 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.237 9.616 -18.062 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.733 8.974 -17.414 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.626 8.789 -19.752 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.080 9.346 -20.361 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.968 7.410 -19.203 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.547 6.837 -18.701 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.509 7.220 -21.559 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.319 5.110 -18.992 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.240 3.688 -20.037 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.403 5.386 -22.897 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.851 3.843 -22.238 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.731 12.038 -18.291 1.00 0.00 N ATOM 1232 CA VAL A 76 0.263 12.961 -18.811 1.00 0.00 C ATOM 1233 C VAL A 76 1.680 12.502 -18.492 1.00 0.00 C ATOM 1234 O VAL A 76 1.994 12.158 -17.353 1.00 0.00 O ATOM 1235 CB VAL A 76 0.049 14.383 -18.248 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.285 14.412 -16.744 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.949 15.381 -18.955 1.00 0.00 C ATOM 0 H VAL A 76 -0.421 11.481 -17.494 1.00 0.00 H new ATOM 0 HA VAL A 76 0.138 12.979 -19.894 1.00 0.00 H new ATOM 0 HB VAL A 76 -0.987 14.669 -18.432 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.128 15.424 -16.371 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.412 13.732 -16.253 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.307 14.101 -16.530 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.782 16.376 -18.543 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.991 15.098 -18.809 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.720 15.386 -20.021 1.00 0.00 H new ATOM 1247 N ARG A 77 2.533 12.509 -19.510 1.00 0.00 N ATOM 1248 CA ARG A 77 3.923 12.107 -19.343 1.00 0.00 C ATOM 1249 C ARG A 77 4.811 13.340 -19.240 1.00 0.00 C ATOM 1250 O ARG A 77 4.784 14.206 -20.113 1.00 0.00 O ATOM 1251 CB ARG A 77 4.383 11.239 -20.517 1.00 0.00 C ATOM 1252 CG ARG A 77 3.418 10.122 -20.872 1.00 0.00 C ATOM 1253 CD ARG A 77 3.986 9.225 -21.961 1.00 0.00 C ATOM 1254 NE ARG A 77 4.388 7.919 -21.444 1.00 0.00 N ATOM 1255 CZ ARG A 77 4.897 6.953 -22.203 1.00 0.00 C ATOM 1256 NH1 ARG A 77 5.060 7.145 -23.504 1.00 0.00 N ATOM 1257 NH2 ARG A 77 5.245 5.793 -21.659 1.00 0.00 N ATOM 0 H ARG A 77 2.286 12.789 -20.459 1.00 0.00 H new ATOM 0 HA ARG A 77 4.003 11.523 -18.426 1.00 0.00 H new ATOM 0 HB2 ARG A 77 4.526 11.874 -21.391 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.353 10.805 -20.277 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.204 9.528 -19.984 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.472 10.548 -21.206 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.240 9.090 -22.744 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.846 9.713 -22.420 1.00 0.00 H new ATOM 0 HE ARG A 77 4.272 7.738 -20.447 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.795 8.035 -23.925 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.451 6.403 -24.084 1.00 0.00 H new ATOM 0 HH21 ARG A 77 5.122 5.642 -20.658 1.00 0.00 H new ATOM 0 HH22 ARG A 77 5.635 5.053 -22.242 1.00 0.00 H new ATOM 1271 N VAL A 78 5.595 13.421 -18.171 1.00 0.00 N ATOM 1272 CA VAL A 78 6.479 14.561 -17.976 1.00 0.00 C ATOM 1273 C VAL A 78 7.910 14.224 -18.385 1.00 0.00 C ATOM 1274 O VAL A 78 8.659 13.604 -17.632 1.00 0.00 O ATOM 1275 CB VAL A 78 6.452 15.065 -16.513 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.698 13.925 -15.535 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.461 16.186 -16.308 1.00 0.00 C ATOM 0 H VAL A 78 5.636 12.718 -17.433 1.00 0.00 H new ATOM 0 HA VAL A 78 6.110 15.361 -18.617 1.00 0.00 H new ATOM 0 HB VAL A 78 5.457 15.464 -16.314 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.673 14.309 -14.515 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.923 13.168 -15.657 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.674 13.481 -15.732 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.424 16.524 -15.272 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.462 15.820 -16.535 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.220 17.018 -16.970 1.00 0.00 H new ATOM 1287 N ARG A 79 8.278 14.642 -19.590 1.00 0.00 N ATOM 1288 CA ARG A 79 9.615 14.395 -20.110 1.00 0.00 C ATOM 1289 C ARG A 79 10.606 15.404 -19.546 1.00 0.00 C ATOM 1290 O ARG A 79 10.542 16.589 -19.860 1.00 0.00 O ATOM 1291 CB ARG A 79 9.605 14.474 -21.639 1.00 0.00 C ATOM 1292 CG ARG A 79 10.983 14.368 -22.274 1.00 0.00 C ATOM 1293 CD ARG A 79 11.031 15.092 -23.608 1.00 0.00 C ATOM 1294 NE ARG A 79 11.997 14.498 -24.527 1.00 0.00 N ATOM 1295 CZ ARG A 79 11.948 14.650 -25.848 1.00 0.00 C ATOM 1296 NH1 ARG A 79 10.979 15.367 -26.401 1.00 0.00 N ATOM 1297 NH2 ARG A 79 12.868 14.085 -26.619 1.00 0.00 N ATOM 0 H ARG A 79 7.667 15.155 -20.226 1.00 0.00 H new ATOM 0 HA ARG A 79 9.925 13.396 -19.804 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.974 13.675 -22.029 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.149 15.417 -21.941 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.730 14.790 -21.601 1.00 0.00 H new ATOM 0 HG3 ARG A 79 11.240 13.319 -22.418 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.041 15.075 -24.064 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.287 16.138 -23.442 1.00 0.00 H new ATOM 0 HE ARG A 79 12.752 13.935 -24.135 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.269 15.804 -25.813 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.944 15.482 -27.414 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.616 13.532 -26.199 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.828 14.203 -27.631 1.00 0.00 H new ATOM 1311 N THR A 80 11.534 14.924 -18.728 1.00 0.00 N ATOM 1312 CA THR A 80 12.547 15.785 -18.140 1.00 0.00 C ATOM 1313 C THR A 80 13.832 15.635 -18.912 1.00 0.00 C ATOM 1314 O THR A 80 14.897 15.361 -18.361 1.00 0.00 O ATOM 1315 CB THR A 80 12.760 15.442 -16.677 1.00 0.00 C ATOM 1316 OG1 THR A 80 13.899 16.106 -16.162 1.00 0.00 O ATOM 1317 CG2 THR A 80 12.928 13.960 -16.421 1.00 0.00 C ATOM 0 H THR A 80 11.605 13.943 -18.458 1.00 0.00 H new ATOM 0 HA THR A 80 12.212 16.821 -18.193 1.00 0.00 H new ATOM 0 HB THR A 80 11.853 15.775 -16.173 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.701 15.787 -16.626 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.076 13.789 -15.355 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.035 13.430 -16.753 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.794 13.592 -16.971 1.00 0.00 H new ATOM 1325 N SER A 81 13.694 15.802 -20.209 1.00 0.00 N ATOM 1326 CA SER A 81 14.805 15.678 -21.139 1.00 0.00 C ATOM 1327 C SER A 81 16.062 16.354 -20.600 1.00 0.00 C ATOM 1328 O SER A 81 16.945 15.691 -20.058 1.00 0.00 O ATOM 1329 CB SER A 81 14.432 16.276 -22.497 1.00 0.00 C ATOM 1330 OG SER A 81 13.441 17.279 -22.359 1.00 0.00 O ATOM 0 H SER A 81 12.805 16.029 -20.655 1.00 0.00 H new ATOM 0 HA SER A 81 15.017 14.616 -21.261 1.00 0.00 H new ATOM 0 HB2 SER A 81 15.319 16.700 -22.967 1.00 0.00 H new ATOM 0 HB3 SER A 81 14.067 15.489 -23.157 1.00 0.00 H new ATOM 0 HG SER A 81 13.222 17.646 -23.241 1.00 0.00 H new ATOM 1336 N ARG A 82 16.117 17.681 -20.757 1.00 0.00 N ATOM 1337 CA ARG A 82 17.244 18.507 -20.301 1.00 0.00 C ATOM 1338 C ARG A 82 18.238 18.759 -21.431 1.00 0.00 C ATOM 1339 O ARG A 82 19.318 18.167 -21.469 1.00 0.00 O ATOM 1340 CB ARG A 82 17.967 17.885 -19.099 1.00 0.00 C ATOM 1341 CG ARG A 82 18.597 18.911 -18.176 1.00 0.00 C ATOM 1342 CD ARG A 82 17.636 19.338 -17.081 1.00 0.00 C ATOM 1343 NE ARG A 82 17.885 18.623 -15.833 1.00 0.00 N ATOM 1344 CZ ARG A 82 19.018 18.716 -15.145 1.00 0.00 C ATOM 1345 NH1 ARG A 82 19.993 19.508 -15.570 1.00 0.00 N ATOM 1346 NH2 ARG A 82 19.177 18.017 -14.031 1.00 0.00 N ATOM 0 H ARG A 82 15.376 18.218 -21.207 1.00 0.00 H new ATOM 0 HA ARG A 82 16.821 19.460 -19.983 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.258 17.283 -18.530 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.742 17.209 -19.461 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.499 18.494 -17.728 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.902 19.783 -18.754 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.732 20.410 -16.911 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.611 19.157 -17.406 1.00 0.00 H new ATOM 0 HE ARG A 82 17.149 18.019 -15.469 1.00 0.00 H new ATOM 0 HH11 ARG A 82 19.874 20.048 -16.427 1.00 0.00 H new ATOM 0 HH12 ARG A 82 20.862 19.577 -15.040 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.429 17.407 -13.701 1.00 0.00 H new ATOM 0 HH22 ARG A 82 20.047 18.089 -13.504 1.00 0.00 H new ATOM 1360 N THR A 83 17.869 19.656 -22.339 1.00 0.00 N ATOM 1361 CA THR A 83 18.723 20.017 -23.466 1.00 0.00 C ATOM 1362 C THR A 83 19.143 18.778 -24.280 1.00 0.00 C ATOM 1363 O THR A 83 18.283 18.068 -24.802 1.00 0.00 O ATOM 1364 CB THR A 83 19.932 20.808 -22.959 1.00 0.00 C ATOM 1365 OG1 THR A 83 20.790 19.982 -22.193 1.00 0.00 O ATOM 1366 CG2 THR A 83 19.544 21.993 -22.100 1.00 0.00 C ATOM 0 H THR A 83 16.977 20.150 -22.316 1.00 0.00 H new ATOM 0 HA THR A 83 18.157 20.651 -24.148 1.00 0.00 H new ATOM 0 HB THR A 83 20.438 21.173 -23.853 1.00 0.00 H new ATOM 0 HG1 THR A 83 20.426 19.073 -22.161 1.00 0.00 H new ATOM 0 HG21 THR A 83 20.443 22.514 -21.771 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.922 22.675 -22.680 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.987 21.645 -21.230 1.00 0.00 H new ATOM 1374 N GLY A 84 20.452 18.520 -24.410 1.00 0.00 N ATOM 1375 CA GLY A 84 20.905 17.375 -25.182 1.00 0.00 C ATOM 1376 C GLY A 84 20.971 16.091 -24.374 1.00 0.00 C ATOM 1377 O GLY A 84 21.941 15.340 -24.472 1.00 0.00 O ATOM 0 H GLY A 84 21.196 19.082 -23.996 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.234 17.229 -26.029 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.892 17.589 -25.591 1.00 0.00 H new ATOM 1381 N TYR A 85 19.939 15.836 -23.580 1.00 0.00 N ATOM 1382 CA TYR A 85 19.885 14.633 -22.760 1.00 0.00 C ATOM 1383 C TYR A 85 19.868 13.375 -23.635 1.00 0.00 C ATOM 1384 O TYR A 85 20.299 13.406 -24.788 1.00 0.00 O ATOM 1385 CB TYR A 85 18.651 14.689 -21.845 1.00 0.00 C ATOM 1386 CG TYR A 85 17.388 14.108 -22.449 1.00 0.00 C ATOM 1387 CD1 TYR A 85 16.862 14.613 -23.631 1.00 0.00 C ATOM 1388 CD2 TYR A 85 16.729 13.049 -21.838 1.00 0.00 C ATOM 1389 CE1 TYR A 85 15.714 14.082 -24.185 1.00 0.00 C ATOM 1390 CE2 TYR A 85 15.580 12.511 -22.386 1.00 0.00 C ATOM 1391 CZ TYR A 85 15.077 13.030 -23.559 1.00 0.00 C ATOM 1392 OH TYR A 85 13.934 12.498 -24.109 1.00 0.00 O ATOM 0 H TYR A 85 19.127 16.447 -23.487 1.00 0.00 H new ATOM 0 HA TYR A 85 20.780 14.585 -22.140 1.00 0.00 H new ATOM 0 HB2 TYR A 85 18.875 14.154 -20.922 1.00 0.00 H new ATOM 0 HB3 TYR A 85 18.463 15.728 -21.574 1.00 0.00 H new ATOM 0 HD1 TYR A 85 17.359 15.435 -24.125 1.00 0.00 H new ATOM 0 HD2 TYR A 85 17.121 12.639 -20.919 1.00 0.00 H new ATOM 0 HE1 TYR A 85 15.317 14.488 -25.104 1.00 0.00 H new ATOM 0 HE2 TYR A 85 15.079 11.688 -21.897 1.00 0.00 H new ATOM 0 HH TYR A 85 13.611 11.764 -23.546 1.00 0.00 H new ATOM 1402 N ASN A 86 19.360 12.275 -23.083 1.00 0.00 N ATOM 1403 CA ASN A 86 19.283 11.019 -23.827 1.00 0.00 C ATOM 1404 C ASN A 86 17.884 10.817 -24.437 1.00 0.00 C ATOM 1405 O ASN A 86 17.515 11.531 -25.369 1.00 0.00 O ATOM 1406 CB ASN A 86 19.716 9.825 -22.962 1.00 0.00 C ATOM 1407 CG ASN A 86 19.358 9.988 -21.503 1.00 0.00 C ATOM 1408 OD1 ASN A 86 20.130 9.620 -20.618 1.00 0.00 O ATOM 1409 ND2 ASN A 86 18.186 10.539 -21.241 1.00 0.00 N ATOM 0 H ASN A 86 18.998 12.227 -22.131 1.00 0.00 H new ATOM 0 HA ASN A 86 19.988 11.079 -24.656 1.00 0.00 H new ATOM 0 HB2 ASN A 86 19.248 8.918 -23.345 1.00 0.00 H new ATOM 0 HB3 ASN A 86 20.794 9.691 -23.052 1.00 0.00 H new ATOM 0 HD21 ASN A 86 17.890 10.674 -20.274 1.00 0.00 H new ATOM 0 HD22 ASN A 86 17.577 10.830 -22.006 1.00 0.00 H new ATOM 1416 N GLY A 87 17.102 9.859 -23.926 1.00 0.00 N ATOM 1417 CA GLY A 87 15.772 9.634 -24.466 1.00 0.00 C ATOM 1418 C GLY A 87 14.831 9.013 -23.452 1.00 0.00 C ATOM 1419 O GLY A 87 13.905 8.288 -23.817 1.00 0.00 O ATOM 0 H GLY A 87 17.366 9.244 -23.157 1.00 0.00 H new ATOM 0 HA2 GLY A 87 15.357 10.582 -24.809 1.00 0.00 H new ATOM 0 HA3 GLY A 87 15.843 8.983 -25.338 1.00 0.00 H new ATOM 1423 N ILE A 88 15.072 9.290 -22.174 1.00 0.00 N ATOM 1424 CA ILE A 88 14.251 8.753 -21.105 1.00 0.00 C ATOM 1425 C ILE A 88 13.013 9.618 -20.849 1.00 0.00 C ATOM 1426 O ILE A 88 12.936 10.757 -21.312 1.00 0.00 O ATOM 1427 CB ILE A 88 15.073 8.608 -19.807 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.371 7.620 -18.871 1.00 0.00 C ATOM 1429 CG2 ILE A 88 15.319 9.967 -19.151 1.00 0.00 C ATOM 1430 CD1 ILE A 88 13.562 8.248 -17.751 1.00 0.00 C ATOM 0 H ILE A 88 15.835 9.888 -21.857 1.00 0.00 H new ATOM 0 HA ILE A 88 13.911 7.768 -21.423 1.00 0.00 H new ATOM 0 HB ILE A 88 16.059 8.207 -20.043 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.709 6.990 -19.465 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.123 6.966 -18.430 1.00 0.00 H new ATOM 0 HG21 ILE A 88 15.900 9.831 -18.239 1.00 0.00 H new ATOM 0 HG22 ILE A 88 15.868 10.609 -19.839 1.00 0.00 H new ATOM 0 HG23 ILE A 88 14.364 10.431 -18.906 1.00 0.00 H new ATOM 0 HD11 ILE A 88 13.106 7.463 -17.147 1.00 0.00 H new ATOM 0 HD12 ILE A 88 14.217 8.854 -17.125 1.00 0.00 H new ATOM 0 HD13 ILE A 88 12.781 8.878 -18.176 1.00 0.00 H new ATOM 1442 N TRP A 89 12.047 9.068 -20.115 1.00 0.00 N ATOM 1443 CA TRP A 89 10.813 9.787 -19.804 1.00 0.00 C ATOM 1444 C TRP A 89 10.300 9.439 -18.410 1.00 0.00 C ATOM 1445 O TRP A 89 10.925 8.670 -17.679 1.00 0.00 O ATOM 1446 CB TRP A 89 9.737 9.461 -20.837 1.00 0.00 C ATOM 1447 CG TRP A 89 9.806 10.324 -22.054 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.815 10.362 -22.971 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.830 11.278 -22.485 1.00 0.00 C ATOM 1450 NE1 TRP A 89 10.524 11.283 -23.951 1.00 0.00 N ATOM 1451 CE2 TRP A 89 9.311 11.859 -23.674 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.594 11.698 -21.980 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.599 12.837 -24.366 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 6.889 12.668 -22.668 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.393 13.228 -23.849 1.00 0.00 C ATOM 0 H TRP A 89 12.095 8.127 -19.725 1.00 0.00 H new ATOM 0 HA TRP A 89 11.038 10.853 -19.832 1.00 0.00 H new ATOM 0 HB2 TRP A 89 9.833 8.417 -21.135 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.755 9.572 -20.376 1.00 0.00 H new ATOM 0 HD1 TRP A 89 11.710 9.759 -22.933 1.00 0.00 H new ATOM 0 HE1 TRP A 89 11.115 11.502 -24.753 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.198 11.272 -21.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.985 13.271 -25.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 5.934 13.000 -22.289 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.818 13.984 -24.363 1.00 0.00 H new ATOM 1466 N SER A 90 9.152 10.006 -18.051 1.00 0.00 N ATOM 1467 CA SER A 90 8.548 9.751 -16.749 1.00 0.00 C ATOM 1468 C SER A 90 7.912 8.365 -16.713 1.00 0.00 C ATOM 1469 O SER A 90 8.216 7.512 -17.547 1.00 0.00 O ATOM 1470 CB SER A 90 7.498 10.818 -16.430 1.00 0.00 C ATOM 1471 OG SER A 90 6.333 10.643 -17.217 1.00 0.00 O ATOM 0 H SER A 90 8.622 10.645 -18.644 1.00 0.00 H new ATOM 0 HA SER A 90 9.334 9.793 -15.995 1.00 0.00 H new ATOM 0 HB2 SER A 90 7.236 10.770 -15.373 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.916 11.808 -16.610 1.00 0.00 H new ATOM 0 HG SER A 90 5.539 10.812 -16.668 1.00 0.00 H new ATOM 1477 N GLU A 91 7.029 8.146 -15.745 1.00 0.00 N ATOM 1478 CA GLU A 91 6.354 6.861 -15.606 1.00 0.00 C ATOM 1479 C GLU A 91 4.844 7.017 -15.745 1.00 0.00 C ATOM 1480 O GLU A 91 4.074 6.284 -15.125 1.00 0.00 O ATOM 1481 CB GLU A 91 6.681 6.233 -14.254 1.00 0.00 C ATOM 1482 CG GLU A 91 8.096 5.684 -14.160 1.00 0.00 C ATOM 1483 CD GLU A 91 8.188 4.232 -14.585 1.00 0.00 C ATOM 1484 OE1 GLU A 91 7.288 3.767 -15.315 1.00 0.00 O ATOM 1485 OE2 GLU A 91 9.162 3.558 -14.185 1.00 0.00 O ATOM 0 H GLU A 91 6.764 8.840 -15.046 1.00 0.00 H new ATOM 0 HA GLU A 91 6.711 6.209 -16.403 1.00 0.00 H new ATOM 0 HB2 GLU A 91 6.538 6.979 -13.473 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.974 5.427 -14.058 1.00 0.00 H new ATOM 0 HG2 GLU A 91 8.757 6.284 -14.785 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.452 5.782 -13.134 1.00 0.00 H new ATOM 1492 N TRP A 92 4.431 7.974 -16.563 1.00 0.00 N ATOM 1493 CA TRP A 92 3.013 8.230 -16.787 1.00 0.00 C ATOM 1494 C TRP A 92 2.342 8.721 -15.509 1.00 0.00 C ATOM 1495 O TRP A 92 2.548 8.159 -14.434 1.00 0.00 O ATOM 1496 CB TRP A 92 2.317 6.959 -17.279 1.00 0.00 C ATOM 1497 CG TRP A 92 2.202 6.878 -18.770 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.700 5.896 -19.577 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.549 7.815 -19.632 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.392 6.164 -20.889 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.686 7.336 -20.949 1.00 0.00 C ATOM 1502 CE3 TRP A 92 0.859 9.012 -19.420 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.160 8.013 -22.046 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.338 9.683 -20.511 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.490 9.182 -21.809 1.00 0.00 C ATOM 0 H TRP A 92 5.057 8.588 -17.084 1.00 0.00 H new ATOM 0 HA TRP A 92 2.925 9.006 -17.547 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.867 6.090 -16.918 1.00 0.00 H new ATOM 0 HB3 TRP A 92 1.319 6.909 -16.843 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.255 5.035 -19.235 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.648 5.584 -21.688 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.735 9.406 -18.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.277 7.629 -23.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -0.195 10.610 -20.359 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.070 9.729 -22.640 1.00 0.00 H new ATOM 1516 N SER A 93 1.542 9.776 -15.633 1.00 0.00 N ATOM 1517 CA SER A 93 0.844 10.341 -14.484 1.00 0.00 C ATOM 1518 C SER A 93 -0.355 9.483 -14.094 1.00 0.00 C ATOM 1519 O SER A 93 -0.798 8.631 -14.864 1.00 0.00 O ATOM 1520 CB SER A 93 0.384 11.766 -14.792 1.00 0.00 C ATOM 1521 OG SER A 93 -0.798 11.759 -15.574 1.00 0.00 O ATOM 0 H SER A 93 1.362 10.255 -16.515 1.00 0.00 H new ATOM 0 HA SER A 93 1.540 10.361 -13.645 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.205 12.304 -13.861 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.172 12.300 -15.322 1.00 0.00 H new ATOM 0 HG SER A 93 -1.551 12.074 -15.032 1.00 0.00 H new ATOM 1527 N GLU A 94 -0.875 9.718 -12.894 1.00 0.00 N ATOM 1528 CA GLU A 94 -2.024 8.970 -12.398 1.00 0.00 C ATOM 1529 C GLU A 94 -3.221 9.133 -13.327 1.00 0.00 C ATOM 1530 O GLU A 94 -3.643 10.252 -13.624 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.390 9.434 -10.985 1.00 0.00 C ATOM 1532 CG GLU A 94 -2.768 8.296 -10.050 1.00 0.00 C ATOM 1533 CD GLU A 94 -2.360 8.559 -8.614 1.00 0.00 C ATOM 1534 OE1 GLU A 94 -2.071 9.729 -8.283 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -2.330 7.596 -7.819 1.00 0.00 O ATOM 0 H GLU A 94 -0.519 10.421 -12.247 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.754 7.915 -12.367 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -1.546 9.977 -10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -3.222 10.135 -11.046 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -3.846 8.138 -10.094 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.296 7.376 -10.395 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.762 8.011 -13.785 1.00 0.00 N ATOM 1543 CA ALA A 95 -4.908 8.024 -14.683 1.00 0.00 C ATOM 1544 C ALA A 95 -6.161 8.528 -13.973 1.00 0.00 C ATOM 1545 O ALA A 95 -6.710 7.849 -13.105 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.141 6.632 -15.252 1.00 0.00 C ATOM 0 H ALA A 95 -3.424 7.078 -13.548 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.692 8.710 -15.502 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.000 6.652 -15.922 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.257 6.312 -15.804 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.333 5.933 -14.438 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.609 9.722 -14.350 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.798 10.319 -13.751 1.00 0.00 C ATOM 1554 C ARG A 96 -9.020 10.107 -14.641 1.00 0.00 C ATOM 1555 O ARG A 96 -8.973 10.355 -15.846 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.578 11.814 -13.515 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.325 12.124 -12.711 1.00 0.00 C ATOM 1558 CD ARG A 96 -6.571 11.976 -11.219 1.00 0.00 C ATOM 1559 NE ARG A 96 -5.661 12.800 -10.429 1.00 0.00 N ATOM 1560 CZ ARG A 96 -5.458 12.629 -9.127 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -6.096 11.665 -8.475 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -4.615 13.418 -8.475 1.00 0.00 N ATOM 0 H ARG A 96 -6.166 10.295 -15.068 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.978 9.829 -12.794 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.516 12.320 -14.478 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.444 12.223 -12.995 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.520 11.455 -13.016 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -5.994 13.140 -12.927 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -7.600 12.254 -10.992 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -6.453 10.931 -10.934 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.153 13.548 -10.902 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -6.743 11.054 -8.973 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -5.939 11.535 -7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.121 14.158 -8.973 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -4.461 13.285 -7.476 1.00 0.00 H new ATOM 1576 N SER A 97 -10.113 9.645 -14.039 1.00 0.00 N ATOM 1577 CA SER A 97 -11.345 9.398 -14.778 1.00 0.00 C ATOM 1578 C SER A 97 -12.396 10.458 -14.460 1.00 0.00 C ATOM 1579 O SER A 97 -12.689 10.726 -13.295 1.00 0.00 O ATOM 1580 CB SER A 97 -11.892 8.007 -14.447 1.00 0.00 C ATOM 1581 OG SER A 97 -12.676 8.034 -13.267 1.00 0.00 O ATOM 0 H SER A 97 -10.169 9.435 -13.042 1.00 0.00 H new ATOM 0 HA SER A 97 -11.116 9.449 -15.842 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.494 7.642 -15.279 1.00 0.00 H new ATOM 0 HB3 SER A 97 -11.065 7.308 -14.322 1.00 0.00 H new ATOM 0 HG SER A 97 -12.566 8.899 -12.821 1.00 0.00 H new ATOM 1587 N TRP A 98 -12.962 11.056 -15.505 1.00 0.00 N ATOM 1588 CA TRP A 98 -13.984 12.085 -15.334 1.00 0.00 C ATOM 1589 C TRP A 98 -15.140 11.880 -16.311 1.00 0.00 C ATOM 1590 O TRP A 98 -14.969 11.292 -17.379 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.371 13.484 -15.510 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.220 13.923 -16.939 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -14.162 14.540 -17.712 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -12.059 13.779 -17.762 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.653 14.789 -18.966 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.363 14.329 -19.018 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.791 13.239 -17.558 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -11.440 14.351 -20.060 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.879 13.263 -18.590 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -10.206 13.816 -19.830 1.00 0.00 C ATOM 0 H TRP A 98 -12.731 10.847 -16.476 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.381 12.002 -14.322 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -13.993 14.208 -14.985 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.391 13.500 -15.033 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -15.160 14.795 -17.387 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -14.153 15.241 -19.731 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.527 12.808 -16.604 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.693 14.778 -21.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -8.894 12.847 -18.438 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -9.470 13.820 -20.620 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.317 12.373 -15.937 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.500 12.248 -16.779 1.00 0.00 C ATOM 1613 C ASP A 99 -17.590 13.411 -17.762 1.00 0.00 C ATOM 1614 O ASP A 99 -17.344 14.562 -17.401 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.763 12.191 -15.918 1.00 0.00 C ATOM 1616 CG ASP A 99 -18.613 11.256 -14.733 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -17.870 11.604 -13.793 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -19.240 10.176 -14.747 1.00 0.00 O ATOM 0 H ASP A 99 -16.476 12.863 -15.056 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.417 11.321 -17.346 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.000 13.193 -15.559 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -19.603 11.864 -16.531 1.00 0.00 H new ATOM 1623 N THR A 100 -17.940 13.103 -19.006 1.00 0.00 N ATOM 1624 CA THR A 100 -18.060 14.123 -20.042 1.00 0.00 C ATOM 1625 C THR A 100 -19.431 14.801 -20.011 1.00 0.00 C ATOM 1626 O THR A 100 -19.729 15.647 -20.854 1.00 0.00 O ATOM 1627 CB THR A 100 -17.818 13.506 -21.420 1.00 0.00 C ATOM 1628 OG1 THR A 100 -18.520 12.283 -21.552 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.358 13.231 -21.704 1.00 0.00 C ATOM 0 H THR A 100 -18.146 12.155 -19.322 1.00 0.00 H new ATOM 0 HA THR A 100 -17.304 14.883 -19.845 1.00 0.00 H new ATOM 0 HB THR A 100 -18.177 14.246 -22.135 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.640 12.076 -22.502 1.00 0.00 H new ATOM 0 HG21 THR A 100 -16.257 12.794 -22.697 1.00 0.00 H new ATOM 0 HG22 THR A 100 -15.797 14.164 -21.659 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.967 12.536 -20.960 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.263 14.429 -19.040 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.595 15.008 -18.913 1.00 0.00 C ATOM 1639 C GLU A 101 -22.442 14.697 -20.143 1.00 0.00 C ATOM 1640 O GLU A 101 -21.915 14.464 -21.230 1.00 0.00 O ATOM 1641 CB GLU A 101 -21.500 16.522 -18.713 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.122 16.928 -17.298 1.00 0.00 C ATOM 1643 CD GLU A 101 -22.255 16.730 -16.310 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -23.345 16.293 -16.735 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -22.052 17.013 -15.111 1.00 0.00 O ATOM 0 H GLU A 101 -20.037 13.730 -18.332 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.076 14.564 -18.041 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -20.763 16.926 -19.407 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -22.458 16.974 -18.968 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -20.259 16.346 -16.976 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -20.820 17.975 -17.293 1.00 0.00 H new ATOM 1652 N SER A 102 -23.759 14.696 -19.962 1.00 0.00 N ATOM 1653 CA SER A 102 -24.679 14.413 -21.057 1.00 0.00 C ATOM 1654 C SER A 102 -25.048 15.693 -21.802 1.00 0.00 C ATOM 1655 O SER A 102 -25.908 16.444 -21.296 1.00 0.00 O ATOM 1656 CB SER A 102 -25.943 13.733 -20.526 1.00 0.00 C ATOM 1657 OG SER A 102 -26.679 13.133 -21.578 1.00 0.00 O ATOM 1658 OXT SER A 102 -24.475 15.931 -22.885 1.00 0.00 O ATOM 0 H SER A 102 -24.212 14.888 -19.069 1.00 0.00 H new ATOM 0 HA SER A 102 -24.180 13.740 -21.754 1.00 0.00 H new ATOM 0 HB2 SER A 102 -25.671 12.976 -19.790 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.566 14.466 -20.014 1.00 0.00 H new ATOM 0 HG SER A 102 -27.481 12.704 -21.213 1.00 0.00 H new TER 1664 SER A 102