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 35 THR OG1 : rot 155:sc= 0.16 USER MOD Set 1.2: A 56 GLN : amide:sc= 0.148 X(o=0.32,f=0.14) USER MOD Set 1.3: A 85 TYR OH : rot 165:sc= 0.0135 USER MOD Set 2.1: A 46 THR OG1 : rot 180:sc= 0.239 USER MOD Set 2.2: A 48 LYS NZ :NH3+ 160:sc= 0.251 (180deg=0) USER MOD Set 3.1: A 40 TYR OH : rot -130:sc= -0.833 USER MOD Set 3.2: A 61 MET CE :methyl -122:sc= -14! (180deg=-21.8!) USER MOD Set 4.1: A 24 THR OG1 : rot 130:sc= 0.535 USER MOD Set 4.2: A 59 HIS : no HD1:sc= -1.06 K(o=-0.52,f=-3.1!) USER MOD Set 5.1: A 12 THR OG1 : rot -48:sc= -0.0429 USER MOD Set 5.2: A 19 SER OG : rot -44:sc= 0.517 USER MOD Set 6.1: A 4 MET CE :methyl 145:sc= -4.95! (180deg=-7.41!) USER MOD Set 6.2: A 27 MET CE :methyl -124:sc= -3.66! (180deg=-4.17!) USER MOD Set 6.3: A 34 HIS : no HE2:sc= -2.12 K(o=-11,f=-13) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 126:sc= -0.141 (180deg=-0.564) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -3.33! C(o=-3.3!,f=-3.6!) USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= -0.0165 (180deg=-0.171) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -164:sc= 0 (180deg=-0.644) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2!) USER MOD Single : A 39 GLN : amide:sc= -0.252 K(o=-0.25,f=-5.1!) USER MOD Single : A 42 LYS NZ :NH3+ -142:sc= 0.758 (180deg=-0.075) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 33:sc= 0.507 USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= -0.0136 (180deg=-0.227) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -5.62! C(o=-5.6!,f=-2.6!) USER MOD Single : A 60 SER OG : rot 180:sc= -1.1! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.184 USER MOD Single : A 72 TYR OH : rot 173:sc= -1.59! USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 81 SER OG : rot -130:sc= 0.148 USER MOD Single : A 83 THR OG1 : rot 3:sc= 1.22 USER MOD Single : A 86 ASN : amide:sc= -2.28! K(o=-2.3!,f=-1.3) USER MOD Single : A 90 SER OG : rot 130:sc= 0.103 USER MOD Single : A 93 SER OG : rot 110:sc= -1.47! USER MOD Single : A 97 SER OG : rot -115:sc= 2.35 USER MOD Single : A 100 THR OG1 : rot 160:sc= -0.277 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.775 1.015 -14.771 1.00 0.00 N ATOM 2 CA MET A 1 10.562 1.576 -13.411 1.00 0.00 C ATOM 3 C MET A 1 10.496 3.099 -13.446 1.00 0.00 C ATOM 4 O MET A 1 11.437 3.761 -13.885 1.00 0.00 O ATOM 5 CB MET A 1 11.708 1.116 -12.507 1.00 0.00 C ATOM 6 CG MET A 1 13.070 1.653 -12.922 1.00 0.00 C ATOM 7 SD MET A 1 14.433 0.683 -12.248 1.00 0.00 S ATOM 8 CE MET A 1 14.990 1.749 -10.922 1.00 0.00 C ATOM 0 H1 MET A 1 11.604 0.388 -14.762 1.00 0.00 H new ATOM 0 H2 MET A 1 9.935 0.474 -15.059 1.00 0.00 H new ATOM 0 H3 MET A 1 10.935 1.790 -15.445 1.00 0.00 H new ATOM 0 HA MET A 1 9.610 1.216 -13.022 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.500 1.430 -11.484 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.742 0.027 -12.505 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.137 1.660 -14.010 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.165 2.687 -12.590 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.832 1.283 -10.410 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.302 2.709 -11.333 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.176 1.905 -10.214 1.00 0.00 H new ATOM 20 N ILE A 2 9.378 3.649 -12.982 1.00 0.00 N ATOM 21 CA ILE A 2 9.190 5.094 -12.961 1.00 0.00 C ATOM 22 C ILE A 2 10.334 5.785 -12.233 1.00 0.00 C ATOM 23 O ILE A 2 10.952 5.211 -11.336 1.00 0.00 O ATOM 24 CB ILE A 2 7.859 5.482 -12.291 1.00 0.00 C ATOM 25 CG1 ILE A 2 7.615 6.995 -12.413 1.00 0.00 C ATOM 26 CG2 ILE A 2 7.847 5.032 -10.834 1.00 0.00 C ATOM 27 CD1 ILE A 2 8.302 7.829 -11.350 1.00 0.00 C ATOM 0 H ILE A 2 8.590 3.115 -12.616 1.00 0.00 H new ATOM 0 HA ILE A 2 9.171 5.424 -14.000 1.00 0.00 H new ATOM 0 HB ILE A 2 7.045 4.972 -12.806 1.00 0.00 H new ATOM 0 HG12 ILE A 2 7.955 7.327 -13.394 1.00 0.00 H new ATOM 0 HG13 ILE A 2 6.542 7.182 -12.367 1.00 0.00 H new ATOM 0 HG21 ILE A 2 6.900 5.313 -10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.966 3.950 -10.787 1.00 0.00 H new ATOM 0 HG23 ILE A 2 8.667 5.511 -10.299 1.00 0.00 H new ATOM 0 HD11 ILE A 2 8.076 8.883 -11.512 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.945 7.529 -10.365 1.00 0.00 H new ATOM 0 HD13 ILE A 2 9.380 7.676 -11.408 1.00 0.00 H new ATOM 39 N GLN A 3 10.609 7.020 -12.627 1.00 0.00 N ATOM 40 CA GLN A 3 11.682 7.797 -12.015 1.00 0.00 C ATOM 41 C GLN A 3 11.258 9.240 -11.778 1.00 0.00 C ATOM 42 O GLN A 3 11.550 9.823 -10.734 1.00 0.00 O ATOM 43 CB GLN A 3 12.937 7.759 -12.891 1.00 0.00 C ATOM 44 CG GLN A 3 12.643 7.672 -14.381 1.00 0.00 C ATOM 45 CD GLN A 3 13.709 8.339 -15.226 1.00 0.00 C ATOM 46 OE1 GLN A 3 14.894 8.295 -14.898 1.00 0.00 O ATOM 47 NE2 GLN A 3 13.291 8.962 -16.321 1.00 0.00 N ATOM 0 H GLN A 3 10.105 7.507 -13.368 1.00 0.00 H new ATOM 0 HA GLN A 3 11.906 7.346 -11.049 1.00 0.00 H new ATOM 0 HB2 GLN A 3 13.530 8.653 -12.699 1.00 0.00 H new ATOM 0 HB3 GLN A 3 13.546 6.903 -12.600 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.558 6.624 -14.670 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.679 8.138 -14.585 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.298 8.973 -16.554 1.00 0.00 H new ATOM 0 HE22 GLN A 3 13.963 9.430 -16.929 1.00 0.00 H new ATOM 56 N MET A 4 10.576 9.807 -12.758 1.00 0.00 N ATOM 57 CA MET A 4 10.111 11.187 -12.675 1.00 0.00 C ATOM 58 C MET A 4 8.684 11.262 -12.138 1.00 0.00 C ATOM 59 O MET A 4 7.720 11.080 -12.884 1.00 0.00 O ATOM 60 CB MET A 4 10.182 11.847 -14.052 1.00 0.00 C ATOM 61 CG MET A 4 11.001 13.126 -14.075 1.00 0.00 C ATOM 62 SD MET A 4 10.461 14.321 -12.838 1.00 0.00 S ATOM 63 CE MET A 4 9.464 15.420 -13.843 1.00 0.00 C ATOM 0 H MET A 4 10.329 9.333 -13.627 1.00 0.00 H new ATOM 0 HA MET A 4 10.763 11.719 -11.982 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.610 11.140 -14.763 1.00 0.00 H new ATOM 0 HB3 MET A 4 9.170 12.068 -14.392 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.050 12.884 -13.906 1.00 0.00 H new ATOM 0 HG3 MET A 4 10.933 13.578 -15.065 1.00 0.00 H new ATOM 0 HE1 MET A 4 8.619 15.782 -13.257 1.00 0.00 H new ATOM 0 HE2 MET A 4 10.070 16.266 -14.168 1.00 0.00 H new ATOM 0 HE3 MET A 4 9.096 14.881 -14.716 1.00 0.00 H new ATOM 73 N ALA A 5 8.553 11.539 -10.843 1.00 0.00 N ATOM 74 CA ALA A 5 7.242 11.651 -10.212 1.00 0.00 C ATOM 75 C ALA A 5 6.337 12.580 -11.019 1.00 0.00 C ATOM 76 O ALA A 5 6.541 13.794 -11.033 1.00 0.00 O ATOM 77 CB ALA A 5 7.385 12.158 -8.785 1.00 0.00 C ATOM 0 H ALA A 5 9.339 11.690 -10.211 1.00 0.00 H new ATOM 0 HA ALA A 5 6.785 10.662 -10.186 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.399 12.237 -8.326 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.998 11.462 -8.211 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.861 13.139 -8.793 1.00 0.00 H new ATOM 83 N PRO A 6 5.335 12.024 -11.719 1.00 0.00 N ATOM 84 CA PRO A 6 4.417 12.815 -12.546 1.00 0.00 C ATOM 85 C PRO A 6 3.550 13.771 -11.724 1.00 0.00 C ATOM 86 O PRO A 6 3.094 13.426 -10.633 1.00 0.00 O ATOM 87 CB PRO A 6 3.545 11.758 -13.237 1.00 0.00 C ATOM 88 CG PRO A 6 4.292 10.476 -13.086 1.00 0.00 C ATOM 89 CD PRO A 6 5.025 10.589 -11.784 1.00 0.00 C ATOM 0 HA PRO A 6 4.960 13.458 -13.239 1.00 0.00 H new ATOM 0 HB2 PRO A 6 2.560 11.697 -12.775 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.389 12.002 -14.288 1.00 0.00 H new ATOM 0 HG2 PRO A 6 3.612 9.624 -13.081 1.00 0.00 H new ATOM 0 HG3 PRO A 6 4.985 10.326 -13.914 1.00 0.00 H new ATOM 0 HD2 PRO A 6 4.411 10.268 -10.943 1.00 0.00 H new ATOM 0 HD3 PRO A 6 5.927 9.978 -11.772 1.00 0.00 H new ATOM 97 N PRO A 7 3.310 14.991 -12.243 1.00 0.00 N ATOM 98 CA PRO A 7 2.493 16.000 -11.559 1.00 0.00 C ATOM 99 C PRO A 7 1.078 15.509 -11.284 1.00 0.00 C ATOM 100 O PRO A 7 0.788 14.319 -11.400 1.00 0.00 O ATOM 101 CB PRO A 7 2.448 17.172 -12.546 1.00 0.00 C ATOM 102 CG PRO A 7 3.596 16.960 -13.469 1.00 0.00 C ATOM 103 CD PRO A 7 3.815 15.478 -13.537 1.00 0.00 C ATOM 0 HA PRO A 7 2.913 16.257 -10.587 1.00 0.00 H new ATOM 0 HB2 PRO A 7 1.504 17.190 -13.091 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.534 18.126 -12.026 1.00 0.00 H new ATOM 0 HG2 PRO A 7 3.380 17.367 -14.457 1.00 0.00 H new ATOM 0 HG3 PRO A 7 4.488 17.468 -13.103 1.00 0.00 H new ATOM 0 HD2 PRO A 7 3.275 15.031 -14.372 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.869 15.235 -13.673 1.00 0.00 H new ATOM 111 N SER A 8 0.198 16.443 -10.940 1.00 0.00 N ATOM 112 CA SER A 8 -1.197 16.119 -10.668 1.00 0.00 C ATOM 113 C SER A 8 -2.024 16.304 -11.934 1.00 0.00 C ATOM 114 O SER A 8 -1.531 16.836 -12.928 1.00 0.00 O ATOM 115 CB SER A 8 -1.741 17.006 -9.547 1.00 0.00 C ATOM 116 OG SER A 8 -1.108 16.714 -8.314 1.00 0.00 O ATOM 0 H SER A 8 0.427 17.432 -10.843 1.00 0.00 H new ATOM 0 HA SER A 8 -1.263 15.079 -10.348 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.585 18.055 -9.800 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.817 16.858 -9.451 1.00 0.00 H new ATOM 0 HG SER A 8 -1.472 17.295 -7.614 1.00 0.00 H new ATOM 122 N LEU A 9 -3.278 15.866 -11.907 1.00 0.00 N ATOM 123 CA LEU A 9 -4.137 15.999 -13.076 1.00 0.00 C ATOM 124 C LEU A 9 -5.597 16.209 -12.691 1.00 0.00 C ATOM 125 O LEU A 9 -6.135 15.517 -11.827 1.00 0.00 O ATOM 126 CB LEU A 9 -4.006 14.770 -13.976 1.00 0.00 C ATOM 127 CG LEU A 9 -3.582 15.070 -15.414 1.00 0.00 C ATOM 128 CD1 LEU A 9 -3.750 13.838 -16.290 1.00 0.00 C ATOM 129 CD2 LEU A 9 -4.378 16.239 -15.973 1.00 0.00 C ATOM 0 H LEU A 9 -3.717 15.422 -11.100 1.00 0.00 H new ATOM 0 HA LEU A 9 -3.807 16.884 -13.621 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.280 14.088 -13.533 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.963 14.248 -13.996 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.527 15.345 -15.411 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.443 14.072 -17.309 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.132 13.028 -15.902 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.795 13.530 -16.288 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.062 16.438 -16.997 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.440 15.994 -15.962 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.203 17.124 -15.361 1.00 0.00 H new ATOM 141 N ASN A 10 -6.230 17.169 -13.357 1.00 0.00 N ATOM 142 CA ASN A 10 -7.633 17.486 -13.114 1.00 0.00 C ATOM 143 C ASN A 10 -8.218 18.245 -14.304 1.00 0.00 C ATOM 144 O ASN A 10 -7.634 19.223 -14.773 1.00 0.00 O ATOM 145 CB ASN A 10 -7.789 18.303 -11.822 1.00 0.00 C ATOM 146 CG ASN A 10 -7.434 19.770 -11.995 1.00 0.00 C ATOM 147 OD1 ASN A 10 -6.263 20.146 -11.959 1.00 0.00 O ATOM 148 ND2 ASN A 10 -8.451 20.604 -12.182 1.00 0.00 N ATOM 0 H ASN A 10 -5.790 17.745 -14.075 1.00 0.00 H new ATOM 0 HA ASN A 10 -8.182 16.552 -12.994 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -8.818 18.224 -11.472 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.155 17.871 -11.048 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.277 21.602 -12.303 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.406 20.247 -12.205 1.00 0.00 H new ATOM 155 N VAL A 11 -9.369 17.792 -14.790 1.00 0.00 N ATOM 156 CA VAL A 11 -10.015 18.435 -15.926 1.00 0.00 C ATOM 157 C VAL A 11 -10.922 19.576 -15.478 1.00 0.00 C ATOM 158 O VAL A 11 -11.910 19.363 -14.774 1.00 0.00 O ATOM 159 CB VAL A 11 -10.832 17.430 -16.760 1.00 0.00 C ATOM 160 CG1 VAL A 11 -9.954 16.271 -17.206 1.00 0.00 C ATOM 161 CG2 VAL A 11 -12.036 16.928 -15.978 1.00 0.00 C ATOM 0 H VAL A 11 -9.871 16.986 -14.417 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.217 18.839 -16.549 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.200 17.943 -17.649 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -10.547 15.571 -17.794 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.132 16.650 -17.814 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.553 15.761 -16.330 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -12.597 16.220 -16.588 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -11.698 16.434 -15.067 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -12.677 17.770 -15.718 1.00 0.00 H new ATOM 171 N THR A 12 -10.577 20.786 -15.900 1.00 0.00 N ATOM 172 CA THR A 12 -11.351 21.972 -15.560 1.00 0.00 C ATOM 173 C THR A 12 -12.148 22.449 -16.759 1.00 0.00 C ATOM 174 O THR A 12 -11.597 22.749 -17.817 1.00 0.00 O ATOM 175 CB THR A 12 -10.434 23.091 -15.061 1.00 0.00 C ATOM 176 OG1 THR A 12 -9.917 23.838 -16.149 1.00 0.00 O ATOM 177 CG2 THR A 12 -9.260 22.586 -14.252 1.00 0.00 C ATOM 0 H THR A 12 -9.760 20.972 -16.482 1.00 0.00 H new ATOM 0 HA THR A 12 -12.044 21.707 -14.761 1.00 0.00 H new ATOM 0 HB THR A 12 -11.058 23.711 -14.417 1.00 0.00 H new ATOM 0 HG1 THR A 12 -9.574 23.225 -16.833 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.651 23.430 -13.929 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.625 22.047 -13.378 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.657 21.916 -14.865 1.00 0.00 H new ATOM 185 N LYS A 13 -13.453 22.504 -16.575 1.00 0.00 N ATOM 186 CA LYS A 13 -14.359 22.934 -17.632 1.00 0.00 C ATOM 187 C LYS A 13 -14.730 24.403 -17.475 1.00 0.00 C ATOM 188 O LYS A 13 -14.614 24.973 -16.389 1.00 0.00 O ATOM 189 CB LYS A 13 -15.623 22.072 -17.628 1.00 0.00 C ATOM 190 CG LYS A 13 -16.420 22.174 -16.340 1.00 0.00 C ATOM 191 CD LYS A 13 -17.470 21.080 -16.245 1.00 0.00 C ATOM 192 CE LYS A 13 -18.877 21.651 -16.332 1.00 0.00 C ATOM 193 NZ LYS A 13 -19.204 22.507 -15.159 1.00 0.00 N ATOM 0 H LYS A 13 -13.915 22.256 -15.700 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.845 22.813 -18.586 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -16.258 22.368 -18.463 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -15.344 21.031 -17.792 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -15.745 22.106 -15.487 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -16.904 23.149 -16.287 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -17.319 20.358 -17.047 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -17.352 20.541 -15.305 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -18.975 22.236 -17.246 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -19.596 20.835 -16.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -20.237 22.570 -15.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.792 22.091 -14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.812 23.459 -15.304 1.00 0.00 H new ATOM 207 N ASP A 14 -15.182 25.010 -18.567 1.00 0.00 N ATOM 208 CA ASP A 14 -15.578 26.414 -18.559 1.00 0.00 C ATOM 209 C ASP A 14 -16.950 26.584 -19.203 1.00 0.00 C ATOM 210 O ASP A 14 -17.169 27.501 -19.995 1.00 0.00 O ATOM 211 CB ASP A 14 -14.543 27.264 -19.298 1.00 0.00 C ATOM 212 CG ASP A 14 -13.349 27.603 -18.427 1.00 0.00 C ATOM 213 OD1 ASP A 14 -12.962 26.757 -17.596 1.00 0.00 O ATOM 214 OD2 ASP A 14 -12.802 28.717 -18.578 1.00 0.00 O ATOM 0 H ASP A 14 -15.284 24.550 -19.472 1.00 0.00 H new ATOM 0 HA ASP A 14 -15.633 26.750 -17.523 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.203 26.729 -20.185 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.012 28.186 -19.642 1.00 0.00 H new ATOM 219 N GLY A 15 -17.867 25.685 -18.863 1.00 0.00 N ATOM 220 CA GLY A 15 -19.206 25.740 -19.419 1.00 0.00 C ATOM 221 C GLY A 15 -19.442 24.672 -20.470 1.00 0.00 C ATOM 222 O GLY A 15 -20.582 24.399 -20.844 1.00 0.00 O ATOM 0 H GLY A 15 -17.706 24.917 -18.211 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -19.934 25.623 -18.617 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.373 26.723 -19.860 1.00 0.00 H new ATOM 226 N ASP A 16 -18.357 24.066 -20.941 1.00 0.00 N ATOM 227 CA ASP A 16 -18.435 23.021 -21.954 1.00 0.00 C ATOM 228 C ASP A 16 -17.040 22.528 -22.322 1.00 0.00 C ATOM 229 O ASP A 16 -16.766 21.328 -22.300 1.00 0.00 O ATOM 230 CB ASP A 16 -19.151 23.538 -23.203 1.00 0.00 C ATOM 231 CG ASP A 16 -19.835 22.429 -23.979 1.00 0.00 C ATOM 232 OD1 ASP A 16 -19.122 21.580 -24.552 1.00 0.00 O ATOM 233 OD2 ASP A 16 -21.084 22.412 -24.014 1.00 0.00 O ATOM 0 H ASP A 16 -17.408 24.283 -20.635 1.00 0.00 H new ATOM 0 HA ASP A 16 -19.005 22.188 -21.541 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.891 24.283 -22.912 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -18.431 24.039 -23.850 1.00 0.00 H new ATOM 238 N SER A 17 -16.159 23.466 -22.658 1.00 0.00 N ATOM 239 CA SER A 17 -14.788 23.134 -23.030 1.00 0.00 C ATOM 240 C SER A 17 -13.986 22.691 -21.806 1.00 0.00 C ATOM 241 O SER A 17 -13.875 23.427 -20.825 1.00 0.00 O ATOM 242 CB SER A 17 -14.122 24.341 -23.708 1.00 0.00 C ATOM 243 OG SER A 17 -12.849 24.626 -23.150 1.00 0.00 O ATOM 0 H SER A 17 -16.371 24.463 -22.680 1.00 0.00 H new ATOM 0 HA SER A 17 -14.809 22.303 -23.735 1.00 0.00 H new ATOM 0 HB2 SER A 17 -14.015 24.145 -24.775 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.766 25.215 -23.608 1.00 0.00 H new ATOM 0 HG SER A 17 -12.457 25.398 -23.608 1.00 0.00 H new ATOM 249 N TYR A 18 -13.433 21.483 -21.871 1.00 0.00 N ATOM 250 CA TYR A 18 -12.645 20.940 -20.769 1.00 0.00 C ATOM 251 C TYR A 18 -11.151 21.167 -20.996 1.00 0.00 C ATOM 252 O TYR A 18 -10.703 21.339 -22.130 1.00 0.00 O ATOM 253 CB TYR A 18 -12.925 19.442 -20.607 1.00 0.00 C ATOM 254 CG TYR A 18 -14.302 19.121 -20.055 1.00 0.00 C ATOM 255 CD1 TYR A 18 -15.307 20.081 -20.011 1.00 0.00 C ATOM 256 CD2 TYR A 18 -14.594 17.848 -19.577 1.00 0.00 C ATOM 257 CE1 TYR A 18 -16.559 19.784 -19.508 1.00 0.00 C ATOM 258 CE2 TYR A 18 -15.844 17.544 -19.072 1.00 0.00 C ATOM 259 CZ TYR A 18 -16.823 18.514 -19.039 1.00 0.00 C ATOM 260 OH TYR A 18 -18.068 18.215 -18.536 1.00 0.00 O ATOM 0 H TYR A 18 -13.516 20.861 -22.675 1.00 0.00 H new ATOM 0 HA TYR A 18 -12.936 21.462 -19.858 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -12.812 18.956 -21.576 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -12.172 19.013 -19.946 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -15.105 21.077 -20.377 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -13.831 17.084 -19.601 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -17.327 20.543 -19.482 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -16.053 16.550 -18.705 1.00 0.00 H new ATOM 0 HH TYR A 18 -18.089 17.278 -18.249 1.00 0.00 H new ATOM 270 N SER A 19 -10.385 21.165 -19.907 1.00 0.00 N ATOM 271 CA SER A 19 -8.940 21.368 -19.976 1.00 0.00 C ATOM 272 C SER A 19 -8.267 20.844 -18.713 1.00 0.00 C ATOM 273 O SER A 19 -8.774 21.037 -17.610 1.00 0.00 O ATOM 274 CB SER A 19 -8.621 22.852 -20.157 1.00 0.00 C ATOM 275 OG SER A 19 -9.025 23.604 -19.027 1.00 0.00 O ATOM 0 H SER A 19 -10.743 21.024 -18.962 1.00 0.00 H new ATOM 0 HA SER A 19 -8.556 20.815 -20.834 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.551 22.980 -20.318 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.125 23.229 -21.047 1.00 0.00 H new ATOM 0 HG SER A 19 -9.916 23.312 -18.741 1.00 0.00 H new ATOM 281 N LEU A 20 -7.126 20.183 -18.870 1.00 0.00 N ATOM 282 CA LEU A 20 -6.407 19.638 -17.720 1.00 0.00 C ATOM 283 C LEU A 20 -5.452 20.669 -17.128 1.00 0.00 C ATOM 284 O LEU A 20 -4.990 21.575 -17.822 1.00 0.00 O ATOM 285 CB LEU A 20 -5.628 18.373 -18.101 1.00 0.00 C ATOM 286 CG LEU A 20 -5.935 17.792 -19.483 1.00 0.00 C ATOM 287 CD1 LEU A 20 -5.129 16.524 -19.715 1.00 0.00 C ATOM 288 CD2 LEU A 20 -7.421 17.516 -19.628 1.00 0.00 C ATOM 0 H LEU A 20 -6.681 20.012 -19.772 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.153 19.378 -16.969 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.562 18.596 -18.050 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.829 17.606 -17.353 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.649 18.525 -20.238 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.358 16.123 -20.702 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.065 16.753 -19.655 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.385 15.786 -18.955 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.620 17.103 -20.617 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.734 16.801 -18.867 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.977 18.445 -19.504 1.00 0.00 H new ATOM 300 N ARG A 21 -5.156 20.519 -15.842 1.00 0.00 N ATOM 301 CA ARG A 21 -4.250 21.430 -15.152 1.00 0.00 C ATOM 302 C ARG A 21 -3.235 20.654 -14.325 1.00 0.00 C ATOM 303 O ARG A 21 -3.434 20.417 -13.134 1.00 0.00 O ATOM 304 CB ARG A 21 -5.036 22.385 -14.260 1.00 0.00 C ATOM 305 CG ARG A 21 -4.293 23.672 -13.936 1.00 0.00 C ATOM 306 CD ARG A 21 -4.963 24.877 -14.576 1.00 0.00 C ATOM 307 NE ARG A 21 -4.887 26.061 -13.726 1.00 0.00 N ATOM 308 CZ ARG A 21 -5.657 27.133 -13.883 1.00 0.00 C ATOM 309 NH1 ARG A 21 -6.559 27.167 -14.853 1.00 0.00 N ATOM 310 NH2 ARG A 21 -5.524 28.171 -13.068 1.00 0.00 N ATOM 0 H ARG A 21 -5.531 19.774 -15.255 1.00 0.00 H new ATOM 0 HA ARG A 21 -3.713 22.011 -15.901 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -5.978 22.633 -14.750 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.285 21.876 -13.329 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.252 23.808 -12.855 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.264 23.598 -14.287 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.490 25.088 -15.535 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.008 24.644 -14.781 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.204 26.066 -12.968 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.663 26.370 -15.481 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.149 27.990 -14.972 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.831 28.147 -12.320 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.115 28.993 -13.189 1.00 0.00 H new ATOM 324 N TRP A 22 -2.151 20.256 -14.973 1.00 0.00 N ATOM 325 CA TRP A 22 -1.096 19.495 -14.310 1.00 0.00 C ATOM 326 C TRP A 22 -0.024 20.418 -13.737 1.00 0.00 C ATOM 327 O TRP A 22 0.858 20.884 -14.458 1.00 0.00 O ATOM 328 CB TRP A 22 -0.460 18.496 -15.283 1.00 0.00 C ATOM 329 CG TRP A 22 -0.089 19.098 -16.605 1.00 0.00 C ATOM 330 CD1 TRP A 22 1.075 19.741 -16.914 1.00 0.00 C ATOM 331 CD2 TRP A 22 -0.879 19.109 -17.800 1.00 0.00 C ATOM 332 NE1 TRP A 22 1.053 20.157 -18.221 1.00 0.00 N ATOM 333 CE2 TRP A 22 -0.135 19.782 -18.787 1.00 0.00 C ATOM 334 CE3 TRP A 22 -2.144 18.617 -18.132 1.00 0.00 C ATOM 335 CZ2 TRP A 22 -0.615 19.977 -20.079 1.00 0.00 C ATOM 336 CZ3 TRP A 22 -2.616 18.811 -19.417 1.00 0.00 C ATOM 337 CH2 TRP A 22 -1.855 19.485 -20.374 1.00 0.00 C ATOM 0 H TRP A 22 -1.976 20.446 -15.960 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.552 18.947 -13.486 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.433 18.072 -14.823 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.154 17.673 -15.450 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.895 19.899 -16.229 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.801 20.664 -18.694 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.741 18.095 -17.399 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.029 20.498 -20.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -3.592 18.434 -19.686 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -2.255 19.620 -21.368 1.00 0.00 H new ATOM 348 N GLU A 23 -0.105 20.673 -12.434 1.00 0.00 N ATOM 349 CA GLU A 23 0.864 21.533 -11.762 1.00 0.00 C ATOM 350 C GLU A 23 2.094 20.732 -11.348 1.00 0.00 C ATOM 351 O GLU A 23 1.985 19.718 -10.660 1.00 0.00 O ATOM 352 CB GLU A 23 0.230 22.193 -10.537 1.00 0.00 C ATOM 353 CG GLU A 23 0.286 23.712 -10.567 1.00 0.00 C ATOM 354 CD GLU A 23 -0.702 24.315 -11.547 1.00 0.00 C ATOM 355 OE1 GLU A 23 -0.332 24.502 -12.725 1.00 0.00 O ATOM 356 OE2 GLU A 23 -1.846 24.602 -11.135 1.00 0.00 O ATOM 0 H GLU A 23 -0.830 20.297 -11.823 1.00 0.00 H new ATOM 0 HA GLU A 23 1.174 22.311 -12.460 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.811 21.877 -10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.736 21.837 -9.640 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.083 24.099 -9.568 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.294 24.029 -10.833 1.00 0.00 H new ATOM 363 N THR A 24 3.262 21.188 -11.785 1.00 0.00 N ATOM 364 CA THR A 24 4.518 20.512 -11.478 1.00 0.00 C ATOM 365 C THR A 24 5.142 21.039 -10.192 1.00 0.00 C ATOM 366 O THR A 24 4.735 22.074 -9.666 1.00 0.00 O ATOM 367 CB THR A 24 5.506 20.700 -12.634 1.00 0.00 C ATOM 368 OG1 THR A 24 4.944 21.525 -13.640 1.00 0.00 O ATOM 369 CG2 THR A 24 5.915 19.399 -13.288 1.00 0.00 C ATOM 0 H THR A 24 3.366 22.027 -12.356 1.00 0.00 H new ATOM 0 HA THR A 24 4.298 19.453 -11.341 1.00 0.00 H new ATOM 0 HB THR A 24 6.389 21.159 -12.190 1.00 0.00 H new ATOM 0 HG1 THR A 24 5.577 22.237 -13.871 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.615 19.603 -14.098 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.392 18.755 -12.550 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.033 18.900 -13.688 1.00 0.00 H new ATOM 377 N MET A 25 6.165 20.334 -9.716 1.00 0.00 N ATOM 378 CA MET A 25 6.890 20.741 -8.521 1.00 0.00 C ATOM 379 C MET A 25 8.106 21.569 -8.921 1.00 0.00 C ATOM 380 O MET A 25 9.032 21.756 -8.132 1.00 0.00 O ATOM 381 CB MET A 25 7.342 19.518 -7.717 1.00 0.00 C ATOM 382 CG MET A 25 6.602 19.349 -6.399 1.00 0.00 C ATOM 383 SD MET A 25 5.512 17.914 -6.392 1.00 0.00 S ATOM 384 CE MET A 25 4.402 18.323 -7.738 1.00 0.00 C ATOM 0 H MET A 25 6.510 19.475 -10.144 1.00 0.00 H new ATOM 0 HA MET A 25 6.225 21.339 -7.897 1.00 0.00 H new ATOM 0 HB2 MET A 25 7.199 18.623 -8.322 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.410 19.600 -7.517 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.326 19.254 -5.590 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.016 20.246 -6.198 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.514 17.693 -7.682 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.109 19.370 -7.663 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.906 18.155 -8.689 1.00 0.00 H new ATOM 394 N LYS A 26 8.097 22.056 -10.164 1.00 0.00 N ATOM 395 CA LYS A 26 9.193 22.852 -10.683 1.00 0.00 C ATOM 396 C LYS A 26 10.516 22.113 -10.517 1.00 0.00 C ATOM 397 O LYS A 26 11.584 22.723 -10.495 1.00 0.00 O ATOM 398 CB LYS A 26 9.245 24.212 -9.989 1.00 0.00 C ATOM 399 CG LYS A 26 7.895 24.690 -9.468 1.00 0.00 C ATOM 400 CD LYS A 26 6.993 25.149 -10.602 1.00 0.00 C ATOM 401 CE LYS A 26 5.565 24.661 -10.410 1.00 0.00 C ATOM 402 NZ LYS A 26 4.568 25.684 -10.832 1.00 0.00 N ATOM 0 H LYS A 26 7.336 21.908 -10.826 1.00 0.00 H new ATOM 0 HA LYS A 26 9.024 23.018 -11.747 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.946 24.158 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.636 24.951 -10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.409 23.884 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.044 25.510 -8.765 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.002 26.238 -10.658 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.381 24.778 -11.550 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.413 23.747 -10.984 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.405 24.409 -9.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.607 25.314 -10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 4.696 26.547 -10.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.704 25.906 -11.839 1.00 0.00 H new ATOM 416 N MET A 27 10.431 20.788 -10.408 1.00 0.00 N ATOM 417 CA MET A 27 11.607 19.946 -10.251 1.00 0.00 C ATOM 418 C MET A 27 12.572 20.524 -9.226 1.00 0.00 C ATOM 419 O MET A 27 12.246 21.472 -8.512 1.00 0.00 O ATOM 420 CB MET A 27 12.314 19.768 -11.596 1.00 0.00 C ATOM 421 CG MET A 27 12.392 18.323 -12.063 1.00 0.00 C ATOM 422 SD MET A 27 10.817 17.453 -11.936 1.00 0.00 S ATOM 423 CE MET A 27 9.694 18.667 -12.621 1.00 0.00 C ATOM 0 H MET A 27 9.550 20.275 -10.426 1.00 0.00 H new ATOM 0 HA MET A 27 11.274 18.973 -9.889 1.00 0.00 H new ATOM 0 HB2 MET A 27 11.792 20.356 -12.351 1.00 0.00 H new ATOM 0 HB3 MET A 27 13.324 20.171 -11.521 1.00 0.00 H new ATOM 0 HG2 MET A 27 12.731 18.300 -13.099 1.00 0.00 H new ATOM 0 HG3 MET A 27 13.140 17.796 -11.471 1.00 0.00 H new ATOM 0 HE1 MET A 27 8.907 18.883 -11.899 1.00 0.00 H new ATOM 0 HE2 MET A 27 10.241 19.583 -12.846 1.00 0.00 H new ATOM 0 HE3 MET A 27 9.249 18.276 -13.536 1.00 0.00 H new ATOM 433 N ARG A 28 13.758 19.938 -9.158 1.00 0.00 N ATOM 434 CA ARG A 28 14.776 20.385 -8.219 1.00 0.00 C ATOM 435 C ARG A 28 16.163 20.306 -8.849 1.00 0.00 C ATOM 436 O ARG A 28 17.167 20.142 -8.154 1.00 0.00 O ATOM 437 CB ARG A 28 14.722 19.537 -6.947 1.00 0.00 C ATOM 438 CG ARG A 28 13.326 19.429 -6.344 1.00 0.00 C ATOM 439 CD ARG A 28 12.962 20.675 -5.555 1.00 0.00 C ATOM 440 NE ARG A 28 12.603 20.364 -4.175 1.00 0.00 N ATOM 441 CZ ARG A 28 12.430 21.286 -3.233 1.00 0.00 C ATOM 442 NH1 ARG A 28 12.592 22.570 -3.522 1.00 0.00 N ATOM 443 NH2 ARG A 28 12.096 20.925 -2.002 1.00 0.00 N ATOM 0 H ARG A 28 14.039 19.151 -9.743 1.00 0.00 H new ATOM 0 HA ARG A 28 14.577 21.425 -7.961 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.090 18.536 -7.172 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.397 19.965 -6.206 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.596 19.274 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.277 18.557 -5.692 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.804 21.368 -5.563 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.128 21.181 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 28 12.478 19.385 -3.919 1.00 0.00 H new ATOM 0 HH11 ARG A 28 12.850 22.851 -4.468 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.459 23.276 -2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.971 19.938 -1.776 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.964 21.634 -1.281 1.00 0.00 H new ATOM 457 N TYR A 29 16.209 20.426 -10.171 1.00 0.00 N ATOM 458 CA TYR A 29 17.466 20.372 -10.909 1.00 0.00 C ATOM 459 C TYR A 29 17.804 21.741 -11.490 1.00 0.00 C ATOM 460 O TYR A 29 18.790 22.367 -11.102 1.00 0.00 O ATOM 461 CB TYR A 29 17.372 19.334 -12.029 1.00 0.00 C ATOM 462 CG TYR A 29 16.755 18.027 -11.586 1.00 0.00 C ATOM 463 CD1 TYR A 29 17.232 17.354 -10.469 1.00 0.00 C ATOM 464 CD2 TYR A 29 15.692 17.468 -12.285 1.00 0.00 C ATOM 465 CE1 TYR A 29 16.667 16.161 -10.059 1.00 0.00 C ATOM 466 CE2 TYR A 29 15.122 16.276 -11.882 1.00 0.00 C ATOM 467 CZ TYR A 29 15.613 15.626 -10.770 1.00 0.00 C ATOM 468 OH TYR A 29 15.048 14.439 -10.364 1.00 0.00 O ATOM 0 H TYR A 29 15.385 20.562 -10.757 1.00 0.00 H new ATOM 0 HA TYR A 29 18.261 20.082 -10.222 1.00 0.00 H new ATOM 0 HB2 TYR A 29 16.783 19.746 -12.848 1.00 0.00 H new ATOM 0 HB3 TYR A 29 18.371 19.141 -12.421 1.00 0.00 H new ATOM 0 HD1 TYR A 29 18.058 17.770 -9.911 1.00 0.00 H new ATOM 0 HD2 TYR A 29 15.305 17.974 -13.157 1.00 0.00 H new ATOM 0 HE1 TYR A 29 17.049 15.651 -9.187 1.00 0.00 H new ATOM 0 HE2 TYR A 29 14.296 15.855 -12.436 1.00 0.00 H new ATOM 0 HH TYR A 29 14.317 14.200 -10.971 1.00 0.00 H new ATOM 478 N GLU A 30 16.973 22.198 -12.420 1.00 0.00 N ATOM 479 CA GLU A 30 17.170 23.493 -13.058 1.00 0.00 C ATOM 480 C GLU A 30 15.876 23.964 -13.711 1.00 0.00 C ATOM 481 O GLU A 30 14.835 23.319 -13.577 1.00 0.00 O ATOM 482 CB GLU A 30 18.283 23.406 -14.105 1.00 0.00 C ATOM 483 CG GLU A 30 18.205 22.164 -14.977 1.00 0.00 C ATOM 484 CD GLU A 30 19.561 21.735 -15.504 1.00 0.00 C ATOM 485 OE1 GLU A 30 20.347 22.617 -15.910 1.00 0.00 O ATOM 486 OE2 GLU A 30 19.838 20.517 -15.510 1.00 0.00 O ATOM 0 H GLU A 30 16.153 21.688 -12.749 1.00 0.00 H new ATOM 0 HA GLU A 30 17.461 24.214 -12.294 1.00 0.00 H new ATOM 0 HB2 GLU A 30 18.241 24.290 -14.742 1.00 0.00 H new ATOM 0 HB3 GLU A 30 19.248 23.424 -13.599 1.00 0.00 H new ATOM 0 HG2 GLU A 30 17.768 21.348 -14.402 1.00 0.00 H new ATOM 0 HG3 GLU A 30 17.537 22.356 -15.817 1.00 0.00 H new ATOM 493 N HIS A 31 15.940 25.088 -14.418 1.00 0.00 N ATOM 494 CA HIS A 31 14.763 25.627 -15.088 1.00 0.00 C ATOM 495 C HIS A 31 14.084 24.551 -15.927 1.00 0.00 C ATOM 496 O HIS A 31 12.937 24.181 -15.678 1.00 0.00 O ATOM 497 CB HIS A 31 15.135 26.831 -15.962 1.00 0.00 C ATOM 498 CG HIS A 31 16.440 26.687 -16.686 1.00 0.00 C ATOM 499 ND1 HIS A 31 16.529 26.279 -18.001 1.00 0.00 N ATOM 500 CD2 HIS A 31 17.711 26.911 -16.276 1.00 0.00 C ATOM 501 CE1 HIS A 31 17.798 26.258 -18.368 1.00 0.00 C ATOM 502 NE2 HIS A 31 18.535 26.638 -17.341 1.00 0.00 N ATOM 0 H HIS A 31 16.789 25.640 -14.541 1.00 0.00 H new ATOM 0 HA HIS A 31 14.063 25.964 -14.323 1.00 0.00 H new ATOM 0 HB2 HIS A 31 14.343 26.993 -16.693 1.00 0.00 H new ATOM 0 HB3 HIS A 31 15.177 27.721 -15.335 1.00 0.00 H new ATOM 0 HD2 HIS A 31 18.019 27.242 -15.295 1.00 0.00 H new ATOM 0 HE1 HIS A 31 18.169 25.978 -19.343 1.00 0.00 H new ATOM 0 HE2 HIS A 31 19.552 26.716 -17.338 1.00 0.00 H new ATOM 511 N ILE A 32 14.816 24.047 -16.906 1.00 0.00 N ATOM 512 CA ILE A 32 14.317 22.997 -17.791 1.00 0.00 C ATOM 513 C ILE A 32 13.028 23.419 -18.494 1.00 0.00 C ATOM 514 O ILE A 32 12.269 24.242 -17.984 1.00 0.00 O ATOM 515 CB ILE A 32 14.063 21.689 -17.017 1.00 0.00 C ATOM 516 CG1 ILE A 32 15.187 21.440 -16.008 1.00 0.00 C ATOM 517 CG2 ILE A 32 13.938 20.517 -17.979 1.00 0.00 C ATOM 518 CD1 ILE A 32 14.882 20.340 -15.014 1.00 0.00 C ATOM 0 H ILE A 32 15.768 24.349 -17.113 1.00 0.00 H new ATOM 0 HA ILE A 32 15.089 22.828 -18.541 1.00 0.00 H new ATOM 0 HB ILE A 32 13.125 21.786 -16.471 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.099 21.186 -16.549 1.00 0.00 H new ATOM 0 HG13 ILE A 32 15.386 22.364 -15.464 1.00 0.00 H new ATOM 0 HG21 ILE A 32 13.759 19.601 -17.416 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.105 20.693 -18.660 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.860 20.416 -18.551 1.00 0.00 H new ATOM 0 HD11 ILE A 32 15.724 20.222 -14.332 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.989 20.600 -14.446 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.713 19.404 -15.547 1.00 0.00 H new ATOM 530 N ASP A 33 12.784 22.844 -19.667 1.00 0.00 N ATOM 531 CA ASP A 33 11.584 23.155 -20.435 1.00 0.00 C ATOM 532 C ASP A 33 10.456 22.195 -20.070 1.00 0.00 C ATOM 533 O ASP A 33 9.290 22.585 -19.999 1.00 0.00 O ATOM 534 CB ASP A 33 11.873 23.076 -21.934 1.00 0.00 C ATOM 535 CG ASP A 33 11.445 24.329 -22.671 1.00 0.00 C ATOM 536 OD1 ASP A 33 10.743 25.165 -22.064 1.00 0.00 O ATOM 537 OD2 ASP A 33 11.813 24.476 -23.856 1.00 0.00 O ATOM 0 H ASP A 33 13.401 22.161 -20.106 1.00 0.00 H new ATOM 0 HA ASP A 33 11.274 24.171 -20.191 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.940 22.914 -22.088 1.00 0.00 H new ATOM 0 HB3 ASP A 33 11.356 22.215 -22.356 1.00 0.00 H new ATOM 542 N HIS A 34 10.818 20.939 -19.836 1.00 0.00 N ATOM 543 CA HIS A 34 9.850 19.912 -19.470 1.00 0.00 C ATOM 544 C HIS A 34 8.790 19.731 -20.553 1.00 0.00 C ATOM 545 O HIS A 34 8.051 20.662 -20.875 1.00 0.00 O ATOM 546 CB HIS A 34 9.179 20.264 -18.141 1.00 0.00 C ATOM 547 CG HIS A 34 9.999 19.912 -16.939 1.00 0.00 C ATOM 548 ND1 HIS A 34 10.653 20.853 -16.170 1.00 0.00 N ATOM 549 CD2 HIS A 34 10.270 18.712 -16.371 1.00 0.00 C ATOM 550 CE1 HIS A 34 11.290 20.247 -15.184 1.00 0.00 C ATOM 551 NE2 HIS A 34 11.074 18.950 -15.284 1.00 0.00 N ATOM 0 H HIS A 34 11.780 20.606 -19.894 1.00 0.00 H new ATOM 0 HA HIS A 34 10.391 18.972 -19.364 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.966 21.333 -18.124 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.221 19.747 -18.080 1.00 0.00 H new ATOM 0 HD1 HIS A 34 10.646 21.859 -16.337 1.00 0.00 H new ATOM 0 HD2 HIS A 34 9.919 17.748 -16.710 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.886 20.731 -14.425 1.00 0.00 H new ATOM 560 N THR A 35 8.712 18.521 -21.098 1.00 0.00 N ATOM 561 CA THR A 35 7.734 18.204 -22.132 1.00 0.00 C ATOM 562 C THR A 35 6.706 17.216 -21.595 1.00 0.00 C ATOM 563 O THR A 35 7.063 16.155 -21.083 1.00 0.00 O ATOM 564 CB THR A 35 8.428 17.626 -23.367 1.00 0.00 C ATOM 565 OG1 THR A 35 9.761 18.096 -23.459 1.00 0.00 O ATOM 566 CG2 THR A 35 7.729 17.972 -24.663 1.00 0.00 C ATOM 0 H THR A 35 9.317 17.742 -20.839 1.00 0.00 H new ATOM 0 HA THR A 35 7.223 19.123 -22.421 1.00 0.00 H new ATOM 0 HB THR A 35 8.399 16.544 -23.235 1.00 0.00 H new ATOM 0 HG1 THR A 35 10.298 17.458 -23.974 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.273 17.531 -25.499 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.712 17.579 -24.644 1.00 0.00 H new ATOM 0 HG23 THR A 35 7.697 19.055 -24.781 1.00 0.00 H new ATOM 574 N PHE A 36 5.431 17.572 -21.700 1.00 0.00 N ATOM 575 CA PHE A 36 4.361 16.713 -21.205 1.00 0.00 C ATOM 576 C PHE A 36 3.629 16.007 -22.343 1.00 0.00 C ATOM 577 O PHE A 36 3.198 16.639 -23.307 1.00 0.00 O ATOM 578 CB PHE A 36 3.360 17.529 -20.382 1.00 0.00 C ATOM 579 CG PHE A 36 4.002 18.436 -19.371 1.00 0.00 C ATOM 580 CD1 PHE A 36 4.353 19.733 -19.709 1.00 0.00 C ATOM 581 CD2 PHE A 36 4.251 17.992 -18.081 1.00 0.00 C ATOM 582 CE1 PHE A 36 4.942 20.570 -18.779 1.00 0.00 C ATOM 583 CE2 PHE A 36 4.839 18.825 -17.148 1.00 0.00 C ATOM 584 CZ PHE A 36 5.185 20.115 -17.497 1.00 0.00 C ATOM 0 H PHE A 36 5.114 18.445 -22.121 1.00 0.00 H new ATOM 0 HA PHE A 36 4.822 15.953 -20.574 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.751 18.128 -21.059 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.685 16.846 -19.866 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.165 20.094 -20.709 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.982 16.984 -17.802 1.00 0.00 H new ATOM 0 HE1 PHE A 36 5.212 21.579 -19.054 1.00 0.00 H new ATOM 0 HE2 PHE A 36 5.028 18.467 -16.147 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.645 20.767 -16.769 1.00 0.00 H new ATOM 594 N GLU A 37 3.475 14.695 -22.207 1.00 0.00 N ATOM 595 CA GLU A 37 2.772 13.895 -23.203 1.00 0.00 C ATOM 596 C GLU A 37 1.408 13.490 -22.656 1.00 0.00 C ATOM 597 O GLU A 37 1.315 12.653 -21.759 1.00 0.00 O ATOM 598 CB GLU A 37 3.587 12.655 -23.573 1.00 0.00 C ATOM 599 CG GLU A 37 3.995 12.611 -25.036 1.00 0.00 C ATOM 600 CD GLU A 37 2.864 12.173 -25.945 1.00 0.00 C ATOM 601 OE1 GLU A 37 1.944 12.985 -26.182 1.00 0.00 O ATOM 602 OE2 GLU A 37 2.896 11.018 -26.420 1.00 0.00 O ATOM 0 H GLU A 37 3.829 14.161 -21.413 1.00 0.00 H new ATOM 0 HA GLU A 37 2.636 14.491 -24.106 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.483 12.621 -22.953 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.004 11.764 -23.340 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.341 13.598 -25.343 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.836 11.928 -25.154 1.00 0.00 H new ATOM 609 N ILE A 38 0.356 14.108 -23.178 1.00 0.00 N ATOM 610 CA ILE A 38 -0.996 13.829 -22.712 1.00 0.00 C ATOM 611 C ILE A 38 -1.639 12.661 -23.453 1.00 0.00 C ATOM 612 O ILE A 38 -1.317 12.381 -24.608 1.00 0.00 O ATOM 613 CB ILE A 38 -1.898 15.068 -22.849 1.00 0.00 C ATOM 614 CG1 ILE A 38 -1.279 16.259 -22.117 1.00 0.00 C ATOM 615 CG2 ILE A 38 -3.288 14.775 -22.309 1.00 0.00 C ATOM 616 CD1 ILE A 38 -0.270 17.023 -22.947 1.00 0.00 C ATOM 0 H ILE A 38 0.413 14.804 -23.922 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.902 13.557 -21.661 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.986 15.319 -23.906 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.074 16.939 -21.810 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.794 15.904 -21.208 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.913 15.662 -22.413 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.730 13.951 -22.870 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.219 14.502 -21.256 1.00 0.00 H new ATOM 0 HD11 ILE A 38 0.127 17.853 -22.363 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.545 16.358 -23.232 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -0.754 17.409 -23.844 1.00 0.00 H new ATOM 628 N GLN A 39 -2.562 11.996 -22.767 1.00 0.00 N ATOM 629 CA GLN A 39 -3.285 10.858 -23.324 1.00 0.00 C ATOM 630 C GLN A 39 -4.646 10.736 -22.646 1.00 0.00 C ATOM 631 O GLN A 39 -4.719 10.484 -21.445 1.00 0.00 O ATOM 632 CB GLN A 39 -2.481 9.570 -23.123 1.00 0.00 C ATOM 633 CG GLN A 39 -2.874 8.443 -24.065 1.00 0.00 C ATOM 634 CD GLN A 39 -1.909 7.275 -24.012 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.278 6.168 -23.619 1.00 0.00 O ATOM 636 NE2 GLN A 39 -0.665 7.517 -24.408 1.00 0.00 N ATOM 0 H GLN A 39 -2.830 12.230 -21.811 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.428 11.015 -24.393 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -1.422 9.790 -23.258 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.608 9.231 -22.095 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.875 8.094 -23.811 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -2.919 8.826 -25.085 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -0.403 8.450 -24.726 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.029 6.770 -24.394 1.00 0.00 H new ATOM 645 N TYR A 40 -5.723 10.928 -23.407 1.00 0.00 N ATOM 646 CA TYR A 40 -7.069 10.844 -22.844 1.00 0.00 C ATOM 647 C TYR A 40 -7.853 9.683 -23.442 1.00 0.00 C ATOM 648 O TYR A 40 -8.111 9.647 -24.643 1.00 0.00 O ATOM 649 CB TYR A 40 -7.839 12.160 -23.038 1.00 0.00 C ATOM 650 CG TYR A 40 -7.433 12.960 -24.259 1.00 0.00 C ATOM 651 CD1 TYR A 40 -6.151 13.479 -24.384 1.00 0.00 C ATOM 652 CD2 TYR A 40 -8.341 13.207 -25.282 1.00 0.00 C ATOM 653 CE1 TYR A 40 -5.782 14.218 -25.491 1.00 0.00 C ATOM 654 CE2 TYR A 40 -7.980 13.945 -26.394 1.00 0.00 C ATOM 655 CZ TYR A 40 -6.700 14.447 -26.493 1.00 0.00 C ATOM 656 OH TYR A 40 -6.336 15.184 -27.597 1.00 0.00 O ATOM 0 H TYR A 40 -5.691 11.140 -24.404 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.957 10.665 -21.775 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -8.903 11.935 -23.106 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.700 12.780 -22.152 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.429 13.301 -23.601 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.345 12.816 -25.207 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.780 14.614 -25.571 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.697 14.127 -27.181 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.004 15.883 -27.759 1.00 0.00 H new ATOM 666 N ARG A 41 -8.236 8.741 -22.585 1.00 0.00 N ATOM 667 CA ARG A 41 -8.998 7.571 -23.002 1.00 0.00 C ATOM 668 C ARG A 41 -10.422 7.668 -22.456 1.00 0.00 C ATOM 669 O ARG A 41 -10.764 8.629 -21.765 1.00 0.00 O ATOM 670 CB ARG A 41 -8.263 6.287 -22.531 1.00 0.00 C ATOM 671 CG ARG A 41 -9.095 5.253 -21.760 1.00 0.00 C ATOM 672 CD ARG A 41 -8.244 4.493 -20.757 1.00 0.00 C ATOM 673 NE ARG A 41 -9.056 3.714 -19.821 1.00 0.00 N ATOM 674 CZ ARG A 41 -9.421 2.449 -20.019 1.00 0.00 C ATOM 675 NH1 ARG A 41 -9.084 1.817 -21.134 1.00 0.00 N ATOM 676 NH2 ARG A 41 -10.136 1.814 -19.102 1.00 0.00 N ATOM 0 H ARG A 41 -8.028 8.768 -21.587 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.072 7.526 -24.089 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -7.841 5.797 -23.408 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.426 6.587 -21.900 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -9.911 5.755 -21.240 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.547 4.552 -22.461 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.566 3.826 -21.290 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.626 5.197 -20.200 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.362 4.170 -18.961 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.540 2.300 -21.849 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.368 0.848 -21.277 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -10.407 2.294 -18.244 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.415 0.845 -19.254 1.00 0.00 H new ATOM 690 N LYS A 42 -11.246 6.675 -22.760 1.00 0.00 N ATOM 691 CA LYS A 42 -12.621 6.666 -22.286 1.00 0.00 C ATOM 692 C LYS A 42 -12.934 5.383 -21.534 1.00 0.00 C ATOM 693 O LYS A 42 -12.314 4.346 -21.770 1.00 0.00 O ATOM 694 CB LYS A 42 -13.583 6.834 -23.454 1.00 0.00 C ATOM 695 CG LYS A 42 -13.120 7.871 -24.447 1.00 0.00 C ATOM 696 CD LYS A 42 -12.958 7.280 -25.833 1.00 0.00 C ATOM 697 CE LYS A 42 -13.041 8.357 -26.896 1.00 0.00 C ATOM 698 NZ LYS A 42 -13.131 7.779 -28.265 1.00 0.00 N ATOM 0 H LYS A 42 -10.987 5.869 -23.330 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.745 7.503 -21.598 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.701 5.877 -23.963 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.565 7.115 -23.073 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.839 8.690 -24.481 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.171 8.294 -24.117 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.999 6.767 -25.904 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.732 6.533 -26.006 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.912 8.985 -26.709 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.164 9.000 -26.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.577 8.361 -28.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.754 6.810 -28.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.125 7.762 -28.570 1.00 0.00 H new ATOM 712 N ASP A 43 -13.911 5.453 -20.636 1.00 0.00 N ATOM 713 CA ASP A 43 -14.314 4.289 -19.864 1.00 0.00 C ATOM 714 C ASP A 43 -14.675 3.135 -20.799 1.00 0.00 C ATOM 715 O ASP A 43 -14.656 1.971 -20.398 1.00 0.00 O ATOM 716 CB ASP A 43 -15.502 4.637 -18.958 1.00 0.00 C ATOM 717 CG ASP A 43 -16.119 3.417 -18.299 1.00 0.00 C ATOM 718 OD1 ASP A 43 -15.561 2.943 -17.287 1.00 0.00 O ATOM 719 OD2 ASP A 43 -17.160 2.938 -18.795 1.00 0.00 O ATOM 0 H ASP A 43 -14.436 6.302 -20.427 1.00 0.00 H new ATOM 0 HA ASP A 43 -13.479 3.979 -19.235 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -15.172 5.333 -18.186 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -16.263 5.150 -19.546 1.00 0.00 H new ATOM 724 N THR A 44 -14.998 3.466 -22.048 1.00 0.00 N ATOM 725 CA THR A 44 -15.355 2.457 -23.036 1.00 0.00 C ATOM 726 C THR A 44 -14.154 2.103 -23.910 1.00 0.00 C ATOM 727 O THR A 44 -14.025 0.969 -24.369 1.00 0.00 O ATOM 728 CB THR A 44 -16.509 2.955 -23.908 1.00 0.00 C ATOM 729 OG1 THR A 44 -16.928 1.944 -24.808 1.00 0.00 O ATOM 730 CG2 THR A 44 -16.159 4.181 -24.725 1.00 0.00 C ATOM 0 H THR A 44 -15.019 4.424 -22.397 1.00 0.00 H new ATOM 0 HA THR A 44 -15.672 1.559 -22.506 1.00 0.00 H new ATOM 0 HB THR A 44 -17.304 3.219 -23.211 1.00 0.00 H new ATOM 0 HG1 THR A 44 -17.668 2.280 -25.356 1.00 0.00 H new ATOM 0 HG21 THR A 44 -17.022 4.480 -25.320 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.878 4.995 -24.057 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.324 3.951 -25.387 1.00 0.00 H new ATOM 738 N ALA A 45 -13.278 3.081 -24.133 1.00 0.00 N ATOM 739 CA ALA A 45 -12.088 2.868 -24.954 1.00 0.00 C ATOM 740 C ALA A 45 -10.986 2.170 -24.162 1.00 0.00 C ATOM 741 O ALA A 45 -10.947 2.247 -22.934 1.00 0.00 O ATOM 742 CB ALA A 45 -11.584 4.193 -25.501 1.00 0.00 C ATOM 0 H ALA A 45 -13.369 4.025 -23.758 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.365 2.221 -25.786 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.697 4.021 -26.111 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.361 4.654 -26.112 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -11.332 4.856 -24.673 1.00 0.00 H new ATOM 748 N THR A 46 -10.093 1.485 -24.873 1.00 0.00 N ATOM 749 CA THR A 46 -8.991 0.770 -24.237 1.00 0.00 C ATOM 750 C THR A 46 -7.649 1.430 -24.550 1.00 0.00 C ATOM 751 O THR A 46 -6.746 0.800 -25.100 1.00 0.00 O ATOM 752 CB THR A 46 -8.979 -0.689 -24.694 1.00 0.00 C ATOM 753 OG1 THR A 46 -10.166 -1.001 -25.401 1.00 0.00 O ATOM 754 CG2 THR A 46 -8.855 -1.670 -23.551 1.00 0.00 C ATOM 0 H THR A 46 -10.112 1.411 -25.890 1.00 0.00 H new ATOM 0 HA THR A 46 -9.142 0.807 -23.158 1.00 0.00 H new ATOM 0 HB THR A 46 -8.101 -0.787 -25.333 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.140 -1.938 -25.687 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.853 -2.687 -23.943 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.925 -1.486 -23.013 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.698 -1.545 -22.871 1.00 0.00 H new ATOM 762 N TRP A 47 -7.530 2.706 -24.199 1.00 0.00 N ATOM 763 CA TRP A 47 -6.305 3.461 -24.443 1.00 0.00 C ATOM 764 C TRP A 47 -5.904 3.397 -25.916 1.00 0.00 C ATOM 765 O TRP A 47 -4.744 3.623 -26.259 1.00 0.00 O ATOM 766 CB TRP A 47 -5.155 2.926 -23.587 1.00 0.00 C ATOM 767 CG TRP A 47 -5.285 3.235 -22.127 1.00 0.00 C ATOM 768 CD1 TRP A 47 -5.447 2.334 -21.114 1.00 0.00 C ATOM 769 CD2 TRP A 47 -5.254 4.529 -21.513 1.00 0.00 C ATOM 770 NE1 TRP A 47 -5.526 2.989 -19.909 1.00 0.00 N ATOM 771 CE2 TRP A 47 -5.410 4.336 -20.127 1.00 0.00 C ATOM 772 CE3 TRP A 47 -5.112 5.834 -21.999 1.00 0.00 C ATOM 773 CZ2 TRP A 47 -5.428 5.397 -19.225 1.00 0.00 C ATOM 774 CZ3 TRP A 47 -5.130 6.884 -21.101 1.00 0.00 C ATOM 775 CH2 TRP A 47 -5.288 6.660 -19.727 1.00 0.00 C ATOM 0 H TRP A 47 -8.269 3.241 -23.743 1.00 0.00 H new ATOM 0 HA TRP A 47 -6.504 4.498 -24.172 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -5.093 1.845 -23.715 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -4.218 3.344 -23.954 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.505 1.263 -21.241 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -5.651 2.544 -19.000 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.991 6.017 -23.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -5.548 5.227 -18.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.020 7.895 -21.465 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -5.299 7.502 -19.051 1.00 0.00 H new ATOM 786 N LYS A 48 -6.862 3.084 -26.782 1.00 0.00 N ATOM 787 CA LYS A 48 -6.594 2.992 -28.214 1.00 0.00 C ATOM 788 C LYS A 48 -7.010 4.271 -28.925 1.00 0.00 C ATOM 789 O LYS A 48 -6.219 4.884 -29.641 1.00 0.00 O ATOM 790 CB LYS A 48 -7.339 1.802 -28.821 1.00 0.00 C ATOM 791 CG LYS A 48 -7.430 0.601 -27.897 1.00 0.00 C ATOM 792 CD LYS A 48 -7.553 -0.692 -28.685 1.00 0.00 C ATOM 793 CE LYS A 48 -8.914 -0.813 -29.352 1.00 0.00 C ATOM 794 NZ LYS A 48 -9.912 -1.472 -28.465 1.00 0.00 N ATOM 0 H LYS A 48 -7.828 2.890 -26.519 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.522 2.849 -28.347 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.346 2.116 -29.093 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.838 1.503 -29.742 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.545 0.560 -27.262 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.291 0.711 -27.237 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.771 -0.733 -29.443 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.396 -1.541 -28.019 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.272 0.179 -29.627 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.816 -1.384 -30.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.872 -1.241 -28.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.775 -2.503 -28.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.787 -1.133 -27.490 1.00 0.00 H new ATOM 808 N ASP A 49 -8.262 4.663 -28.720 1.00 0.00 N ATOM 809 CA ASP A 49 -8.797 5.872 -29.338 1.00 0.00 C ATOM 810 C ASP A 49 -8.368 7.130 -28.583 1.00 0.00 C ATOM 811 O ASP A 49 -8.799 8.234 -28.917 1.00 0.00 O ATOM 812 CB ASP A 49 -10.323 5.803 -29.390 1.00 0.00 C ATOM 813 CG ASP A 49 -10.820 4.671 -30.266 1.00 0.00 C ATOM 814 OD1 ASP A 49 -10.551 3.498 -29.932 1.00 0.00 O ATOM 815 OD2 ASP A 49 -11.480 4.958 -31.287 1.00 0.00 O ATOM 0 H ASP A 49 -8.926 4.162 -28.131 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.395 5.930 -30.349 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.713 5.676 -28.380 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.714 6.748 -29.766 1.00 0.00 H new ATOM 820 N SER A 50 -7.531 6.968 -27.561 1.00 0.00 N ATOM 821 CA SER A 50 -7.071 8.104 -26.776 1.00 0.00 C ATOM 822 C SER A 50 -6.052 8.933 -27.550 1.00 0.00 C ATOM 823 O SER A 50 -4.971 8.451 -27.888 1.00 0.00 O ATOM 824 CB SER A 50 -6.467 7.627 -25.454 1.00 0.00 C ATOM 825 OG SER A 50 -5.291 6.868 -25.673 1.00 0.00 O ATOM 0 H SER A 50 -7.161 6.066 -27.261 1.00 0.00 H new ATOM 0 HA SER A 50 -7.933 8.737 -26.565 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.236 8.487 -24.825 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.197 7.024 -24.914 1.00 0.00 H new ATOM 0 HG SER A 50 -4.820 7.215 -26.459 1.00 0.00 H new ATOM 831 N LYS A 51 -6.409 10.182 -27.825 1.00 0.00 N ATOM 832 CA LYS A 51 -5.534 11.089 -28.557 1.00 0.00 C ATOM 833 C LYS A 51 -4.279 11.410 -27.754 1.00 0.00 C ATOM 834 O LYS A 51 -4.318 11.489 -26.526 1.00 0.00 O ATOM 835 CB LYS A 51 -6.280 12.381 -28.894 1.00 0.00 C ATOM 836 CG LYS A 51 -6.304 12.699 -30.380 1.00 0.00 C ATOM 837 CD LYS A 51 -5.777 14.097 -30.654 1.00 0.00 C ATOM 838 CE LYS A 51 -5.838 14.436 -32.134 1.00 0.00 C ATOM 839 NZ LYS A 51 -5.031 13.489 -32.954 1.00 0.00 N ATOM 0 H LYS A 51 -7.302 10.591 -27.551 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.232 10.595 -29.480 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.305 12.304 -28.531 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -5.814 13.210 -28.361 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -5.702 11.969 -30.920 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -7.323 12.612 -30.756 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -6.360 14.824 -30.089 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.747 14.174 -30.304 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.875 14.414 -32.469 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.474 15.452 -32.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.916 13.872 -33.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.096 13.362 -32.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -5.518 12.571 -33.004 1.00 0.00 H new ATOM 853 N THR A 52 -3.169 11.594 -28.458 1.00 0.00 N ATOM 854 CA THR A 52 -1.897 11.908 -27.818 1.00 0.00 C ATOM 855 C THR A 52 -1.439 13.317 -28.183 1.00 0.00 C ATOM 856 O THR A 52 -1.006 13.567 -29.308 1.00 0.00 O ATOM 857 CB THR A 52 -0.834 10.889 -28.232 1.00 0.00 C ATOM 858 OG1 THR A 52 -1.185 9.590 -27.787 1.00 0.00 O ATOM 859 CG2 THR A 52 0.545 11.204 -27.692 1.00 0.00 C ATOM 0 H THR A 52 -3.124 11.531 -29.475 1.00 0.00 H new ATOM 0 HA THR A 52 -2.037 11.860 -26.738 1.00 0.00 H new ATOM 0 HB THR A 52 -0.797 10.938 -29.320 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.494 8.952 -28.063 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.249 10.441 -28.024 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.866 12.179 -28.060 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.514 11.220 -26.603 1.00 0.00 H new ATOM 867 N GLU A 53 -1.536 14.236 -27.225 1.00 0.00 N ATOM 868 CA GLU A 53 -1.130 15.618 -27.451 1.00 0.00 C ATOM 869 C GLU A 53 0.295 15.857 -26.970 1.00 0.00 C ATOM 870 O GLU A 53 0.773 15.193 -26.048 1.00 0.00 O ATOM 871 CB GLU A 53 -2.084 16.584 -26.747 1.00 0.00 C ATOM 872 CG GLU A 53 -3.425 16.730 -27.447 1.00 0.00 C ATOM 873 CD GLU A 53 -3.491 17.964 -28.326 1.00 0.00 C ATOM 874 OE1 GLU A 53 -3.290 19.079 -27.800 1.00 0.00 O ATOM 875 OE2 GLU A 53 -3.742 17.815 -29.540 1.00 0.00 O ATOM 0 H GLU A 53 -1.891 14.048 -26.288 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.169 15.802 -28.525 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.251 16.238 -25.727 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.611 17.563 -26.678 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.612 15.845 -28.055 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.218 16.777 -26.700 1.00 0.00 H new ATOM 882 N THR A 54 0.965 16.809 -27.604 1.00 0.00 N ATOM 883 CA THR A 54 2.338 17.145 -27.255 1.00 0.00 C ATOM 884 C THR A 54 2.474 18.633 -26.956 1.00 0.00 C ATOM 885 O THR A 54 2.307 19.472 -27.842 1.00 0.00 O ATOM 886 CB THR A 54 3.278 16.756 -28.394 1.00 0.00 C ATOM 887 OG1 THR A 54 2.547 16.496 -29.579 1.00 0.00 O ATOM 888 CG2 THR A 54 4.115 15.531 -28.094 1.00 0.00 C ATOM 0 H THR A 54 0.578 17.365 -28.366 1.00 0.00 H new ATOM 0 HA THR A 54 2.609 16.587 -26.358 1.00 0.00 H new ATOM 0 HB THR A 54 3.946 17.608 -28.518 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.166 16.250 -30.298 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.759 15.313 -28.946 1.00 0.00 H new ATOM 0 HG22 THR A 54 4.729 15.717 -27.213 1.00 0.00 H new ATOM 0 HG23 THR A 54 3.460 14.680 -27.906 1.00 0.00 H new ATOM 896 N LEU A 55 2.780 18.954 -25.704 1.00 0.00 N ATOM 897 CA LEU A 55 2.942 20.343 -25.288 1.00 0.00 C ATOM 898 C LEU A 55 4.115 20.485 -24.325 1.00 0.00 C ATOM 899 O LEU A 55 4.235 19.730 -23.360 1.00 0.00 O ATOM 900 CB LEU A 55 1.657 20.863 -24.645 1.00 0.00 C ATOM 901 CG LEU A 55 0.794 19.803 -23.986 1.00 0.00 C ATOM 902 CD1 LEU A 55 1.468 19.340 -22.708 1.00 0.00 C ATOM 903 CD2 LEU A 55 -0.603 20.342 -23.714 1.00 0.00 C ATOM 0 H LEU A 55 2.921 18.272 -24.959 1.00 0.00 H new ATOM 0 HA LEU A 55 3.153 20.942 -26.174 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.920 21.612 -23.898 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.065 21.368 -25.408 1.00 0.00 H new ATOM 0 HG LEU A 55 0.686 18.950 -24.656 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.854 18.578 -22.228 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.447 18.922 -22.944 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.588 20.187 -22.033 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.206 19.567 -23.241 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.537 21.205 -23.052 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.067 20.640 -24.654 1.00 0.00 H new ATOM 915 N GLN A 56 4.985 21.451 -24.603 1.00 0.00 N ATOM 916 CA GLN A 56 6.158 21.689 -23.770 1.00 0.00 C ATOM 917 C GLN A 56 5.901 22.795 -22.753 1.00 0.00 C ATOM 918 O GLN A 56 5.215 23.774 -23.044 1.00 0.00 O ATOM 919 CB GLN A 56 7.358 22.059 -24.645 1.00 0.00 C ATOM 920 CG GLN A 56 8.647 21.364 -24.239 1.00 0.00 C ATOM 921 CD GLN A 56 9.728 21.477 -25.297 1.00 0.00 C ATOM 922 OE1 GLN A 56 9.945 22.547 -25.865 1.00 0.00 O ATOM 923 NE2 GLN A 56 10.411 20.371 -25.568 1.00 0.00 N ATOM 0 H GLN A 56 4.899 22.082 -25.400 1.00 0.00 H new ATOM 0 HA GLN A 56 6.374 20.770 -23.226 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.132 21.809 -25.681 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.508 23.138 -24.603 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.010 21.796 -23.306 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.442 20.311 -24.045 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.197 19.505 -25.072 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.149 20.387 -26.272 1.00 0.00 H new ATOM 932 N ASN A 57 6.468 22.632 -21.558 1.00 0.00 N ATOM 933 CA ASN A 57 6.317 23.614 -20.483 1.00 0.00 C ATOM 934 C ASN A 57 4.890 24.156 -20.409 1.00 0.00 C ATOM 935 O ASN A 57 4.677 25.330 -20.103 1.00 0.00 O ATOM 936 CB ASN A 57 7.307 24.769 -20.666 1.00 0.00 C ATOM 937 CG ASN A 57 7.556 25.108 -22.123 1.00 0.00 C ATOM 938 OD1 ASN A 57 6.982 26.058 -22.658 1.00 0.00 O ATOM 939 ND2 ASN A 57 8.411 24.329 -22.775 1.00 0.00 N ATOM 0 H ASN A 57 7.039 21.825 -21.309 1.00 0.00 H new ATOM 0 HA ASN A 57 6.532 23.104 -19.544 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.926 25.652 -20.153 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.253 24.508 -20.192 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.615 24.507 -23.758 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.864 23.553 -22.292 1.00 0.00 H new ATOM 946 N ALA A 58 3.918 23.292 -20.685 1.00 0.00 N ATOM 947 CA ALA A 58 2.515 23.684 -20.643 1.00 0.00 C ATOM 948 C ALA A 58 1.832 23.117 -19.403 1.00 0.00 C ATOM 949 O ALA A 58 2.375 22.239 -18.734 1.00 0.00 O ATOM 950 CB ALA A 58 1.799 23.221 -21.903 1.00 0.00 C ATOM 0 H ALA A 58 4.077 22.317 -20.940 1.00 0.00 H new ATOM 0 HA ALA A 58 2.464 24.772 -20.592 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.752 23.521 -21.858 1.00 0.00 H new ATOM 0 HB2 ALA A 58 2.269 23.674 -22.776 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.863 22.136 -21.980 1.00 0.00 H new ATOM 956 N HIS A 59 0.644 23.627 -19.099 1.00 0.00 N ATOM 957 CA HIS A 59 -0.108 23.169 -17.938 1.00 0.00 C ATOM 958 C HIS A 59 -1.581 22.982 -18.282 1.00 0.00 C ATOM 959 O HIS A 59 -2.449 23.067 -17.411 1.00 0.00 O ATOM 960 CB HIS A 59 0.043 24.158 -16.782 1.00 0.00 C ATOM 961 CG HIS A 59 1.342 24.026 -16.049 1.00 0.00 C ATOM 962 ND1 HIS A 59 1.913 25.061 -15.340 1.00 0.00 N ATOM 963 CD2 HIS A 59 2.187 22.973 -15.919 1.00 0.00 C ATOM 964 CE1 HIS A 59 3.052 24.652 -14.808 1.00 0.00 C ATOM 965 NE2 HIS A 59 3.240 23.390 -15.144 1.00 0.00 N ATOM 0 H HIS A 59 0.181 24.357 -19.640 1.00 0.00 H new ATOM 0 HA HIS A 59 0.296 22.204 -17.632 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.045 25.173 -17.169 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.778 24.012 -16.080 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.056 21.990 -16.346 1.00 0.00 H new ATOM 0 HE1 HIS A 59 3.716 25.250 -14.201 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.039 22.817 -14.872 1.00 0.00 H new ATOM 974 N SER A 60 -1.855 22.725 -19.557 1.00 0.00 N ATOM 975 CA SER A 60 -3.224 22.522 -20.021 1.00 0.00 C ATOM 976 C SER A 60 -3.257 22.272 -21.524 1.00 0.00 C ATOM 977 O SER A 60 -2.439 22.813 -22.268 1.00 0.00 O ATOM 978 CB SER A 60 -4.085 23.738 -19.677 1.00 0.00 C ATOM 979 OG SER A 60 -3.289 24.813 -19.208 1.00 0.00 O ATOM 0 H SER A 60 -1.147 22.652 -20.288 1.00 0.00 H new ATOM 0 HA SER A 60 -3.627 21.644 -19.516 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.643 24.053 -20.559 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.817 23.465 -18.917 1.00 0.00 H new ATOM 0 HG SER A 60 -3.864 25.578 -18.997 1.00 0.00 H new ATOM 985 N MET A 61 -4.203 21.449 -21.968 1.00 0.00 N ATOM 986 CA MET A 61 -4.327 21.138 -23.388 1.00 0.00 C ATOM 987 C MET A 61 -5.744 21.355 -23.908 1.00 0.00 C ATOM 988 O MET A 61 -6.024 21.122 -25.083 1.00 0.00 O ATOM 989 CB MET A 61 -3.890 19.695 -23.657 1.00 0.00 C ATOM 990 CG MET A 61 -4.884 18.645 -23.180 1.00 0.00 C ATOM 991 SD MET A 61 -4.827 17.139 -24.167 1.00 0.00 S ATOM 992 CE MET A 61 -6.573 16.806 -24.378 1.00 0.00 C ATOM 0 H MET A 61 -4.890 20.989 -21.370 1.00 0.00 H new ATOM 0 HA MET A 61 -3.672 21.826 -23.923 1.00 0.00 H new ATOM 0 HB2 MET A 61 -3.730 19.569 -24.728 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.931 19.520 -23.169 1.00 0.00 H new ATOM 0 HG2 MET A 61 -4.677 18.400 -22.138 1.00 0.00 H new ATOM 0 HG3 MET A 61 -5.891 19.061 -23.216 1.00 0.00 H new ATOM 0 HE1 MET A 61 -6.805 15.817 -23.983 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.154 17.556 -23.841 1.00 0.00 H new ATOM 0 HE3 MET A 61 -6.825 16.842 -25.438 1.00 0.00 H new ATOM 1002 N ALA A 62 -6.633 21.802 -23.031 1.00 0.00 N ATOM 1003 CA ALA A 62 -8.026 22.050 -23.399 1.00 0.00 C ATOM 1004 C ALA A 62 -8.567 20.947 -24.306 1.00 0.00 C ATOM 1005 O ALA A 62 -8.592 21.095 -25.528 1.00 0.00 O ATOM 1006 CB ALA A 62 -8.154 23.404 -24.083 1.00 0.00 C ATOM 0 H ALA A 62 -6.416 22.002 -22.055 1.00 0.00 H new ATOM 0 HA ALA A 62 -8.620 22.053 -22.485 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -9.196 23.578 -24.353 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.819 24.188 -23.404 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.539 23.417 -24.983 1.00 0.00 H new ATOM 1012 N LEU A 63 -8.991 19.835 -23.705 1.00 0.00 N ATOM 1013 CA LEU A 63 -9.520 18.706 -24.469 1.00 0.00 C ATOM 1014 C LEU A 63 -10.466 19.187 -25.571 1.00 0.00 C ATOM 1015 O LEU A 63 -11.489 19.811 -25.291 1.00 0.00 O ATOM 1016 CB LEU A 63 -10.251 17.726 -23.548 1.00 0.00 C ATOM 1017 CG LEU A 63 -9.361 17.019 -22.524 1.00 0.00 C ATOM 1018 CD1 LEU A 63 -10.037 16.991 -21.163 1.00 0.00 C ATOM 1019 CD2 LEU A 63 -9.032 15.609 -22.987 1.00 0.00 C ATOM 0 H LEU A 63 -8.978 19.692 -22.695 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.677 18.194 -24.933 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.034 18.266 -23.016 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.744 16.972 -24.162 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.428 17.576 -22.434 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.391 16.485 -20.446 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.222 18.011 -20.827 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.984 16.457 -21.238 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.398 15.121 -22.246 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.954 15.041 -23.106 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.507 15.653 -23.941 1.00 0.00 H new ATOM 1031 N PRO A 64 -10.130 18.916 -26.843 1.00 0.00 N ATOM 1032 CA PRO A 64 -10.943 19.338 -27.973 1.00 0.00 C ATOM 1033 C PRO A 64 -12.046 18.344 -28.328 1.00 0.00 C ATOM 1034 O PRO A 64 -13.213 18.556 -27.998 1.00 0.00 O ATOM 1035 CB PRO A 64 -9.925 19.449 -29.109 1.00 0.00 C ATOM 1036 CG PRO A 64 -8.800 18.527 -28.748 1.00 0.00 C ATOM 1037 CD PRO A 64 -8.926 18.192 -27.280 1.00 0.00 C ATOM 0 HA PRO A 64 -11.478 20.264 -27.761 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -10.371 19.165 -30.062 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -9.570 20.474 -29.216 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -8.842 17.620 -29.351 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -7.839 19.000 -28.950 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.030 17.118 -27.125 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.046 18.511 -26.722 1.00 0.00 H new ATOM 1045 N ALA A 65 -11.676 17.271 -29.018 1.00 0.00 N ATOM 1046 CA ALA A 65 -12.643 16.262 -29.436 1.00 0.00 C ATOM 1047 C ALA A 65 -12.810 15.148 -28.406 1.00 0.00 C ATOM 1048 O ALA A 65 -12.026 14.200 -28.374 1.00 0.00 O ATOM 1049 CB ALA A 65 -12.237 15.674 -30.779 1.00 0.00 C ATOM 0 H ALA A 65 -10.715 17.077 -29.300 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.608 16.761 -29.528 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.965 14.922 -31.082 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.201 16.466 -31.527 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.254 15.212 -30.692 1.00 0.00 H new ATOM 1055 N LEU A 66 -13.858 15.248 -27.592 1.00 0.00 N ATOM 1056 CA LEU A 66 -14.148 14.224 -26.594 1.00 0.00 C ATOM 1057 C LEU A 66 -15.543 13.651 -26.838 1.00 0.00 C ATOM 1058 O LEU A 66 -16.143 13.899 -27.885 1.00 0.00 O ATOM 1059 CB LEU A 66 -14.044 14.779 -25.167 1.00 0.00 C ATOM 1060 CG LEU A 66 -12.701 15.420 -24.803 1.00 0.00 C ATOM 1061 CD1 LEU A 66 -12.600 15.625 -23.294 1.00 0.00 C ATOM 1062 CD2 LEU A 66 -11.547 14.564 -25.303 1.00 0.00 C ATOM 0 H LEU A 66 -14.518 16.025 -27.604 1.00 0.00 H new ATOM 0 HA LEU A 66 -13.405 13.433 -26.693 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -14.830 15.521 -25.026 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -14.241 13.968 -24.466 1.00 0.00 H new ATOM 0 HG LEU A 66 -12.641 16.394 -25.289 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.640 16.081 -23.052 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -13.406 16.278 -22.961 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.681 14.662 -22.790 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.601 15.036 -25.035 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -11.602 13.576 -24.846 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -11.609 14.466 -26.387 1.00 0.00 H new ATOM 1074 N GLU A 67 -16.058 12.881 -25.884 1.00 0.00 N ATOM 1075 CA GLU A 67 -17.381 12.281 -26.030 1.00 0.00 C ATOM 1076 C GLU A 67 -18.329 12.739 -24.921 1.00 0.00 C ATOM 1077 O GLU A 67 -18.045 12.551 -23.739 1.00 0.00 O ATOM 1078 CB GLU A 67 -17.266 10.756 -26.013 1.00 0.00 C ATOM 1079 CG GLU A 67 -16.425 10.199 -27.149 1.00 0.00 C ATOM 1080 CD GLU A 67 -16.509 8.689 -27.251 1.00 0.00 C ATOM 1081 OE1 GLU A 67 -17.102 8.066 -26.344 1.00 0.00 O ATOM 1082 OE2 GLU A 67 -15.984 8.130 -28.235 1.00 0.00 O ATOM 0 H GLU A 67 -15.584 12.659 -25.008 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.793 12.608 -26.984 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.833 10.443 -25.063 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.265 10.324 -26.065 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -16.753 10.642 -28.090 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -15.385 10.492 -27.004 1.00 0.00 H new ATOM 1089 N PRO A 68 -19.479 13.340 -25.285 1.00 0.00 N ATOM 1090 CA PRO A 68 -20.465 13.810 -24.306 1.00 0.00 C ATOM 1091 C PRO A 68 -21.208 12.657 -23.640 1.00 0.00 C ATOM 1092 O PRO A 68 -21.506 11.648 -24.279 1.00 0.00 O ATOM 1093 CB PRO A 68 -21.427 14.650 -25.148 1.00 0.00 C ATOM 1094 CG PRO A 68 -21.331 14.071 -26.515 1.00 0.00 C ATOM 1095 CD PRO A 68 -19.911 13.599 -26.671 1.00 0.00 C ATOM 0 HA PRO A 68 -20.001 14.362 -23.489 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -22.445 14.592 -24.763 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -21.144 15.703 -25.142 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -22.032 13.245 -26.638 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -21.579 14.815 -27.272 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -19.852 12.700 -27.284 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -19.288 14.354 -27.151 1.00 0.00 H new ATOM 1103 N SER A 69 -21.504 12.808 -22.353 1.00 0.00 N ATOM 1104 CA SER A 69 -22.211 11.773 -21.609 1.00 0.00 C ATOM 1105 C SER A 69 -21.398 10.484 -21.569 1.00 0.00 C ATOM 1106 O SER A 69 -21.928 9.396 -21.790 1.00 0.00 O ATOM 1107 CB SER A 69 -23.577 11.504 -22.242 1.00 0.00 C ATOM 1108 OG SER A 69 -24.556 11.231 -21.254 1.00 0.00 O ATOM 0 H SER A 69 -21.266 13.635 -21.805 1.00 0.00 H new ATOM 0 HA SER A 69 -22.353 12.127 -20.588 1.00 0.00 H new ATOM 0 HB2 SER A 69 -23.883 12.368 -22.832 1.00 0.00 H new ATOM 0 HB3 SER A 69 -23.503 10.660 -22.927 1.00 0.00 H new ATOM 0 HG SER A 69 -25.420 11.064 -21.686 1.00 0.00 H new ATOM 1114 N THR A 70 -20.105 10.615 -21.293 1.00 0.00 N ATOM 1115 CA THR A 70 -19.215 9.464 -21.234 1.00 0.00 C ATOM 1116 C THR A 70 -18.034 9.735 -20.304 1.00 0.00 C ATOM 1117 O THR A 70 -17.687 10.887 -20.051 1.00 0.00 O ATOM 1118 CB THR A 70 -18.703 9.125 -22.636 1.00 0.00 C ATOM 1119 OG1 THR A 70 -19.782 9.012 -23.548 1.00 0.00 O ATOM 1120 CG2 THR A 70 -17.914 7.835 -22.696 1.00 0.00 C ATOM 0 H THR A 70 -19.650 11.509 -21.107 1.00 0.00 H new ATOM 0 HA THR A 70 -19.778 8.618 -20.840 1.00 0.00 H new ATOM 0 HB THR A 70 -18.039 9.946 -22.905 1.00 0.00 H new ATOM 0 HG1 THR A 70 -19.436 8.797 -24.439 1.00 0.00 H new ATOM 0 HG21 THR A 70 -17.583 7.658 -23.719 1.00 0.00 H new ATOM 0 HG22 THR A 70 -17.046 7.909 -22.041 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.544 7.007 -22.371 1.00 0.00 H new ATOM 1128 N ARG A 71 -17.419 8.669 -19.807 1.00 0.00 N ATOM 1129 CA ARG A 71 -16.270 8.798 -18.916 1.00 0.00 C ATOM 1130 C ARG A 71 -15.001 9.039 -19.725 1.00 0.00 C ATOM 1131 O ARG A 71 -14.977 8.808 -20.934 1.00 0.00 O ATOM 1132 CB ARG A 71 -16.112 7.537 -18.066 1.00 0.00 C ATOM 1133 CG ARG A 71 -16.613 7.692 -16.641 1.00 0.00 C ATOM 1134 CD ARG A 71 -16.691 6.351 -15.928 1.00 0.00 C ATOM 1135 NE ARG A 71 -17.646 5.448 -16.563 1.00 0.00 N ATOM 1136 CZ ARG A 71 -18.199 4.409 -15.948 1.00 0.00 C ATOM 1137 NH1 ARG A 71 -17.899 4.144 -14.683 1.00 0.00 N ATOM 1138 NH2 ARG A 71 -19.056 3.633 -16.598 1.00 0.00 N ATOM 0 H ARG A 71 -17.695 7.707 -20.004 1.00 0.00 H new ATOM 0 HA ARG A 71 -16.438 9.649 -18.256 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.650 6.718 -18.544 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.059 7.255 -18.043 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -15.949 8.359 -16.091 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.598 8.159 -16.649 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.705 5.887 -15.919 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.978 6.509 -14.888 1.00 0.00 H new ATOM 0 HE ARG A 71 -17.903 5.625 -17.534 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.241 4.739 -14.179 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.326 3.345 -14.214 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -19.290 3.834 -17.570 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -19.481 2.835 -16.126 1.00 0.00 H new ATOM 1152 N TYR A 72 -13.946 9.501 -19.062 1.00 0.00 N ATOM 1153 CA TYR A 72 -12.687 9.761 -19.748 1.00 0.00 C ATOM 1154 C TYR A 72 -11.484 9.487 -18.854 1.00 0.00 C ATOM 1155 O TYR A 72 -11.272 10.165 -17.849 1.00 0.00 O ATOM 1156 CB TYR A 72 -12.644 11.197 -20.267 1.00 0.00 C ATOM 1157 CG TYR A 72 -12.785 11.283 -21.768 1.00 0.00 C ATOM 1158 CD1 TYR A 72 -14.017 11.082 -22.378 1.00 0.00 C ATOM 1159 CD2 TYR A 72 -11.689 11.549 -22.577 1.00 0.00 C ATOM 1160 CE1 TYR A 72 -14.152 11.146 -23.750 1.00 0.00 C ATOM 1161 CE2 TYR A 72 -11.815 11.611 -23.952 1.00 0.00 C ATOM 1162 CZ TYR A 72 -13.049 11.409 -24.532 1.00 0.00 C ATOM 1163 OH TYR A 72 -13.178 11.462 -25.900 1.00 0.00 O ATOM 0 H TYR A 72 -13.937 9.701 -18.062 1.00 0.00 H new ATOM 0 HA TYR A 72 -12.632 9.075 -20.594 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -13.443 11.772 -19.798 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -11.703 11.658 -19.968 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -14.883 10.872 -21.768 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -10.722 11.710 -22.125 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -15.118 10.991 -24.208 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -10.952 11.816 -24.568 1.00 0.00 H new ATOM 0 HH TYR A 72 -12.335 11.767 -26.296 1.00 0.00 H new ATOM 1173 N TRP A 73 -10.694 8.491 -19.242 1.00 0.00 N ATOM 1174 CA TRP A 73 -9.498 8.117 -18.498 1.00 0.00 C ATOM 1175 C TRP A 73 -8.257 8.669 -19.189 1.00 0.00 C ATOM 1176 O TRP A 73 -7.791 8.108 -20.181 1.00 0.00 O ATOM 1177 CB TRP A 73 -9.394 6.595 -18.392 1.00 0.00 C ATOM 1178 CG TRP A 73 -10.543 5.967 -17.665 1.00 0.00 C ATOM 1179 CD1 TRP A 73 -11.799 5.742 -18.153 1.00 0.00 C ATOM 1180 CD2 TRP A 73 -10.542 5.481 -16.318 1.00 0.00 C ATOM 1181 NE1 TRP A 73 -12.576 5.143 -17.192 1.00 0.00 N ATOM 1182 CE2 TRP A 73 -11.829 4.974 -16.057 1.00 0.00 C ATOM 1183 CE3 TRP A 73 -9.578 5.424 -15.307 1.00 0.00 C ATOM 1184 CZ2 TRP A 73 -12.175 4.418 -14.828 1.00 0.00 C ATOM 1185 CZ3 TRP A 73 -9.922 4.872 -14.088 1.00 0.00 C ATOM 1186 CH2 TRP A 73 -11.211 4.375 -13.858 1.00 0.00 C ATOM 0 H TRP A 73 -10.863 7.925 -20.074 1.00 0.00 H new ATOM 0 HA TRP A 73 -9.567 8.539 -17.495 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.334 6.172 -19.395 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -8.466 6.337 -17.881 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -12.132 5.998 -19.148 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -13.552 4.868 -17.305 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.582 5.805 -15.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.168 4.035 -14.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.185 4.823 -13.300 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -11.449 3.949 -12.895 1.00 0.00 H new ATOM 1197 N ALA A 74 -7.731 9.774 -18.675 1.00 0.00 N ATOM 1198 CA ALA A 74 -6.553 10.391 -19.269 1.00 0.00 C ATOM 1199 C ALA A 74 -5.346 10.331 -18.337 1.00 0.00 C ATOM 1200 O ALA A 74 -5.471 9.989 -17.161 1.00 0.00 O ATOM 1201 CB ALA A 74 -6.856 11.831 -19.663 1.00 0.00 C ATOM 0 H ALA A 74 -8.098 10.257 -17.855 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.298 9.823 -20.164 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.968 12.282 -20.106 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.670 11.846 -20.387 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -7.147 12.397 -18.778 1.00 0.00 H new ATOM 1207 N ARG A 75 -4.176 10.669 -18.877 1.00 0.00 N ATOM 1208 CA ARG A 75 -2.937 10.657 -18.105 1.00 0.00 C ATOM 1209 C ARG A 75 -1.934 11.647 -18.691 1.00 0.00 C ATOM 1210 O ARG A 75 -2.218 12.308 -19.691 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.332 9.250 -18.085 1.00 0.00 C ATOM 1212 CG ARG A 75 -2.368 8.551 -19.434 1.00 0.00 C ATOM 1213 CD ARG A 75 -1.724 7.175 -19.368 1.00 0.00 C ATOM 1214 NE ARG A 75 -2.085 6.344 -20.512 1.00 0.00 N ATOM 1215 CZ ARG A 75 -1.620 5.115 -20.709 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -0.774 4.576 -19.842 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -2.001 4.422 -21.774 1.00 0.00 N ATOM 0 H ARG A 75 -4.061 10.955 -19.849 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.168 10.955 -17.082 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.298 9.313 -17.746 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.870 8.643 -17.357 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.401 8.454 -19.767 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.850 9.161 -20.174 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.640 7.284 -19.328 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.029 6.676 -18.448 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.732 6.729 -21.200 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.479 5.105 -19.021 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.419 3.632 -19.996 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.652 4.832 -22.443 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.643 3.479 -21.924 1.00 0.00 H new ATOM 1231 N VAL A 76 -0.762 11.752 -18.066 1.00 0.00 N ATOM 1232 CA VAL A 76 0.265 12.674 -18.540 1.00 0.00 C ATOM 1233 C VAL A 76 1.661 12.279 -18.052 1.00 0.00 C ATOM 1234 O VAL A 76 1.864 12.017 -16.867 1.00 0.00 O ATOM 1235 CB VAL A 76 -0.040 14.123 -18.096 1.00 0.00 C ATOM 1236 CG1 VAL A 76 0.249 14.322 -16.613 1.00 0.00 C ATOM 1237 CG2 VAL A 76 0.753 15.114 -18.931 1.00 0.00 C ATOM 0 H VAL A 76 -0.503 11.215 -17.238 1.00 0.00 H new ATOM 0 HA VAL A 76 0.252 12.619 -19.629 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.103 14.304 -18.255 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.024 15.351 -16.333 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -0.371 13.643 -16.027 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.301 14.114 -16.416 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.526 16.129 -18.604 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.819 14.923 -18.807 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.484 15.002 -19.981 1.00 0.00 H new ATOM 1247 N ARG A 77 2.621 12.268 -18.972 1.00 0.00 N ATOM 1248 CA ARG A 77 4.002 11.941 -18.635 1.00 0.00 C ATOM 1249 C ARG A 77 4.861 13.195 -18.759 1.00 0.00 C ATOM 1250 O ARG A 77 4.719 13.957 -19.714 1.00 0.00 O ATOM 1251 CB ARG A 77 4.538 10.831 -19.544 1.00 0.00 C ATOM 1252 CG ARG A 77 4.538 11.188 -21.021 1.00 0.00 C ATOM 1253 CD ARG A 77 4.674 9.950 -21.896 1.00 0.00 C ATOM 1254 NE ARG A 77 5.691 9.025 -21.397 1.00 0.00 N ATOM 1255 CZ ARG A 77 6.225 8.054 -22.129 1.00 0.00 C ATOM 1256 NH1 ARG A 77 5.850 7.888 -23.391 1.00 0.00 N ATOM 1257 NH2 ARG A 77 7.135 7.248 -21.602 1.00 0.00 N ATOM 0 H ARG A 77 2.467 12.482 -19.957 1.00 0.00 H new ATOM 0 HA ARG A 77 4.040 11.576 -17.608 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.556 10.586 -19.240 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.937 9.934 -19.398 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.614 11.711 -21.270 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.359 11.874 -21.230 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.714 9.437 -21.947 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.928 10.252 -22.912 1.00 0.00 H new ATOM 0 HE ARG A 77 6.008 9.132 -20.433 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.150 8.507 -23.801 1.00 0.00 H new ATOM 0 HH12 ARG A 77 6.261 7.142 -23.951 1.00 0.00 H new ATOM 0 HH21 ARG A 77 7.427 7.373 -20.633 1.00 0.00 H new ATOM 0 HH22 ARG A 77 7.544 6.503 -22.166 1.00 0.00 H new ATOM 1271 N VAL A 78 5.730 13.426 -17.781 1.00 0.00 N ATOM 1272 CA VAL A 78 6.573 14.615 -17.797 1.00 0.00 C ATOM 1273 C VAL A 78 8.057 14.275 -17.894 1.00 0.00 C ATOM 1274 O VAL A 78 8.610 13.584 -17.044 1.00 0.00 O ATOM 1275 CB VAL A 78 6.331 15.487 -16.547 1.00 0.00 C ATOM 1276 CG1 VAL A 78 6.515 14.671 -15.276 1.00 0.00 C ATOM 1277 CG2 VAL A 78 7.247 16.704 -16.549 1.00 0.00 C ATOM 0 H VAL A 78 5.868 12.814 -16.977 1.00 0.00 H new ATOM 0 HA VAL A 78 6.293 15.173 -18.690 1.00 0.00 H new ATOM 0 HB VAL A 78 5.301 15.841 -16.575 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.340 15.306 -14.407 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.806 13.843 -15.269 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.531 14.279 -15.239 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.058 17.303 -15.658 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.287 16.377 -16.552 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.053 17.304 -17.438 1.00 0.00 H new ATOM 1287 N ARG A 79 8.705 14.791 -18.928 1.00 0.00 N ATOM 1288 CA ARG A 79 10.128 14.561 -19.122 1.00 0.00 C ATOM 1289 C ARG A 79 10.896 15.858 -18.869 1.00 0.00 C ATOM 1290 O ARG A 79 10.291 16.914 -18.692 1.00 0.00 O ATOM 1291 CB ARG A 79 10.390 14.027 -20.539 1.00 0.00 C ATOM 1292 CG ARG A 79 11.821 13.570 -20.804 1.00 0.00 C ATOM 1293 CD ARG A 79 12.348 12.640 -19.717 1.00 0.00 C ATOM 1294 NE ARG A 79 13.808 12.575 -19.715 1.00 0.00 N ATOM 1295 CZ ARG A 79 14.538 12.326 -18.628 1.00 0.00 C ATOM 1296 NH1 ARG A 79 13.949 12.072 -17.467 1.00 0.00 N ATOM 1297 NH2 ARG A 79 15.861 12.314 -18.706 1.00 0.00 N ATOM 0 H ARG A 79 8.268 15.371 -19.644 1.00 0.00 H new ATOM 0 HA ARG A 79 10.476 13.810 -18.412 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.717 13.190 -20.725 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.135 14.806 -21.257 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.864 13.060 -21.766 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.470 14.443 -20.877 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.999 12.985 -18.744 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.940 11.640 -19.866 1.00 0.00 H new ATOM 0 HE ARG A 79 14.297 12.729 -20.597 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.931 12.066 -17.402 1.00 0.00 H new ATOM 0 HH12 ARG A 79 14.514 11.882 -16.639 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.321 12.495 -19.598 1.00 0.00 H new ATOM 0 HH22 ARG A 79 16.419 12.123 -17.874 1.00 0.00 H new ATOM 1311 N THR A 80 12.221 15.782 -18.857 1.00 0.00 N ATOM 1312 CA THR A 80 13.050 16.953 -18.632 1.00 0.00 C ATOM 1313 C THR A 80 13.984 17.120 -19.808 1.00 0.00 C ATOM 1314 O THR A 80 15.028 16.472 -19.888 1.00 0.00 O ATOM 1315 CB THR A 80 13.843 16.824 -17.326 1.00 0.00 C ATOM 1316 OG1 THR A 80 15.078 17.514 -17.413 1.00 0.00 O ATOM 1317 CG2 THR A 80 14.145 15.393 -16.935 1.00 0.00 C ATOM 0 H THR A 80 12.743 14.918 -19.001 1.00 0.00 H new ATOM 0 HA THR A 80 12.413 17.833 -18.540 1.00 0.00 H new ATOM 0 HB THR A 80 13.198 17.260 -16.563 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.566 17.419 -16.568 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.708 15.382 -16.002 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.211 14.847 -16.802 1.00 0.00 H new ATOM 0 HG23 THR A 80 14.734 14.918 -17.720 1.00 0.00 H new ATOM 1325 N SER A 81 13.582 17.968 -20.740 1.00 0.00 N ATOM 1326 CA SER A 81 14.358 18.201 -21.947 1.00 0.00 C ATOM 1327 C SER A 81 15.854 18.296 -21.650 1.00 0.00 C ATOM 1328 O SER A 81 16.683 17.909 -22.474 1.00 0.00 O ATOM 1329 CB SER A 81 13.877 19.467 -22.656 1.00 0.00 C ATOM 1330 OG SER A 81 12.668 19.942 -22.090 1.00 0.00 O ATOM 0 H SER A 81 12.719 18.509 -20.683 1.00 0.00 H new ATOM 0 HA SER A 81 14.205 17.345 -22.604 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.643 20.240 -22.586 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.729 19.260 -23.716 1.00 0.00 H new ATOM 0 HG SER A 81 12.016 20.108 -22.803 1.00 0.00 H new ATOM 1336 N ARG A 82 16.180 18.804 -20.461 1.00 0.00 N ATOM 1337 CA ARG A 82 17.570 18.953 -20.013 1.00 0.00 C ATOM 1338 C ARG A 82 18.525 19.289 -21.162 1.00 0.00 C ATOM 1339 O ARG A 82 19.694 18.902 -21.135 1.00 0.00 O ATOM 1340 CB ARG A 82 18.031 17.669 -19.317 1.00 0.00 C ATOM 1341 CG ARG A 82 18.756 17.911 -18.003 1.00 0.00 C ATOM 1342 CD ARG A 82 19.868 16.896 -17.788 1.00 0.00 C ATOM 1343 NE ARG A 82 20.858 16.938 -18.862 1.00 0.00 N ATOM 1344 CZ ARG A 82 22.027 16.306 -18.812 1.00 0.00 C ATOM 1345 NH1 ARG A 82 22.352 15.588 -17.746 1.00 0.00 N ATOM 1346 NH2 ARG A 82 22.872 16.393 -19.830 1.00 0.00 N ATOM 0 H ARG A 82 15.491 19.124 -19.780 1.00 0.00 H new ATOM 0 HA ARG A 82 17.596 19.790 -19.315 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.164 17.036 -19.132 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.690 17.119 -19.989 1.00 0.00 H new ATOM 0 HG2 ARG A 82 19.174 18.918 -17.996 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.046 17.855 -17.178 1.00 0.00 H new ATOM 0 HD2 ARG A 82 20.358 17.091 -16.834 1.00 0.00 H new ATOM 0 HD3 ARG A 82 19.440 15.895 -17.728 1.00 0.00 H new ATOM 0 HE ARG A 82 20.640 17.482 -19.697 1.00 0.00 H new ATOM 0 HH11 ARG A 82 21.705 15.519 -16.961 1.00 0.00 H new ATOM 0 HH12 ARG A 82 23.249 15.105 -17.711 1.00 0.00 H new ATOM 0 HH21 ARG A 82 22.625 16.945 -20.652 1.00 0.00 H new ATOM 0 HH22 ARG A 82 23.769 15.908 -19.791 1.00 0.00 H new ATOM 1360 N THR A 83 18.026 20.014 -22.165 1.00 0.00 N ATOM 1361 CA THR A 83 18.837 20.406 -23.321 1.00 0.00 C ATOM 1362 C THR A 83 19.764 19.278 -23.767 1.00 0.00 C ATOM 1363 O THR A 83 20.900 19.175 -23.303 1.00 0.00 O ATOM 1364 CB THR A 83 19.651 21.651 -22.985 1.00 0.00 C ATOM 1365 OG1 THR A 83 20.766 21.320 -22.175 1.00 0.00 O ATOM 1366 CG2 THR A 83 18.844 22.697 -22.257 1.00 0.00 C ATOM 0 H THR A 83 17.061 20.343 -22.200 1.00 0.00 H new ATOM 0 HA THR A 83 18.160 20.625 -24.147 1.00 0.00 H new ATOM 0 HB THR A 83 19.975 22.060 -23.942 1.00 0.00 H new ATOM 0 HG1 THR A 83 20.802 20.349 -22.050 1.00 0.00 H new ATOM 0 HG21 THR A 83 19.475 23.560 -22.044 1.00 0.00 H new ATOM 0 HG22 THR A 83 18.004 23.006 -22.879 1.00 0.00 H new ATOM 0 HG23 THR A 83 18.469 22.282 -21.321 1.00 0.00 H new ATOM 1374 N GLY A 84 19.272 18.436 -24.666 1.00 0.00 N ATOM 1375 CA GLY A 84 20.068 17.327 -25.153 1.00 0.00 C ATOM 1376 C GLY A 84 19.507 15.983 -24.734 1.00 0.00 C ATOM 1377 O GLY A 84 19.865 14.951 -25.301 1.00 0.00 O ATOM 0 H GLY A 84 18.336 18.501 -25.067 1.00 0.00 H new ATOM 0 HA2 GLY A 84 20.121 17.372 -26.241 1.00 0.00 H new ATOM 0 HA3 GLY A 84 21.088 17.424 -24.780 1.00 0.00 H new ATOM 1381 N TYR A 85 18.620 15.989 -23.738 1.00 0.00 N ATOM 1382 CA TYR A 85 18.008 14.753 -23.252 1.00 0.00 C ATOM 1383 C TYR A 85 17.518 13.895 -24.421 1.00 0.00 C ATOM 1384 O TYR A 85 17.348 14.396 -25.531 1.00 0.00 O ATOM 1385 CB TYR A 85 16.839 15.077 -22.308 1.00 0.00 C ATOM 1386 CG TYR A 85 15.541 15.392 -23.027 1.00 0.00 C ATOM 1387 CD1 TYR A 85 15.543 16.128 -24.206 1.00 0.00 C ATOM 1388 CD2 TYR A 85 14.320 14.946 -22.534 1.00 0.00 C ATOM 1389 CE1 TYR A 85 14.367 16.413 -24.872 1.00 0.00 C ATOM 1390 CE2 TYR A 85 13.139 15.228 -23.197 1.00 0.00 C ATOM 1391 CZ TYR A 85 13.168 15.961 -24.365 1.00 0.00 C ATOM 1392 OH TYR A 85 11.994 16.242 -25.026 1.00 0.00 O ATOM 0 H TYR A 85 18.311 16.832 -23.254 1.00 0.00 H new ATOM 0 HA TYR A 85 18.762 14.189 -22.703 1.00 0.00 H new ATOM 0 HB2 TYR A 85 16.678 14.230 -21.641 1.00 0.00 H new ATOM 0 HB3 TYR A 85 17.113 15.927 -21.684 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.480 16.483 -24.608 1.00 0.00 H new ATOM 0 HD2 TYR A 85 14.293 14.371 -21.620 1.00 0.00 H new ATOM 0 HE1 TYR A 85 14.387 16.988 -25.786 1.00 0.00 H new ATOM 0 HE2 TYR A 85 12.198 14.876 -22.801 1.00 0.00 H new ATOM 0 HH TYR A 85 11.280 15.664 -24.684 1.00 0.00 H new ATOM 1402 N ASN A 86 17.278 12.609 -24.156 1.00 0.00 N ATOM 1403 CA ASN A 86 16.785 11.679 -25.176 1.00 0.00 C ATOM 1404 C ASN A 86 17.022 10.233 -24.764 1.00 0.00 C ATOM 1405 O ASN A 86 17.799 9.954 -23.850 1.00 0.00 O ATOM 1406 CB ASN A 86 17.434 11.944 -26.538 1.00 0.00 C ATOM 1407 CG ASN A 86 16.461 12.570 -27.519 1.00 0.00 C ATOM 1408 OD1 ASN A 86 16.507 12.297 -28.718 1.00 0.00 O ATOM 1409 ND2 ASN A 86 15.570 13.420 -27.011 1.00 0.00 N ATOM 0 H ASN A 86 17.418 12.186 -23.239 1.00 0.00 H new ATOM 0 HA ASN A 86 15.712 11.846 -25.267 1.00 0.00 H new ATOM 0 HB2 ASN A 86 18.292 12.603 -26.408 1.00 0.00 H new ATOM 0 HB3 ASN A 86 17.810 11.007 -26.949 1.00 0.00 H new ATOM 0 HD21 ASN A 86 14.891 13.873 -27.623 1.00 0.00 H new ATOM 0 HD22 ASN A 86 15.567 13.618 -26.010 1.00 0.00 H new ATOM 1416 N GLY A 87 16.337 9.317 -25.440 1.00 0.00 N ATOM 1417 CA GLY A 87 16.473 7.908 -25.127 1.00 0.00 C ATOM 1418 C GLY A 87 15.734 7.530 -23.859 1.00 0.00 C ATOM 1419 O GLY A 87 16.013 6.493 -23.257 1.00 0.00 O ATOM 0 H GLY A 87 15.689 9.526 -26.200 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.092 7.314 -25.958 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.529 7.662 -25.017 1.00 0.00 H new ATOM 1423 N ILE A 88 14.793 8.378 -23.446 1.00 0.00 N ATOM 1424 CA ILE A 88 14.019 8.131 -22.238 1.00 0.00 C ATOM 1425 C ILE A 88 12.643 8.776 -22.319 1.00 0.00 C ATOM 1426 O ILE A 88 12.201 9.171 -23.388 1.00 0.00 O ATOM 1427 CB ILE A 88 14.754 8.665 -20.987 1.00 0.00 C ATOM 1428 CG1 ILE A 88 14.630 10.193 -20.897 1.00 0.00 C ATOM 1429 CG2 ILE A 88 16.217 8.252 -21.011 1.00 0.00 C ATOM 1430 CD1 ILE A 88 15.022 10.909 -22.171 1.00 0.00 C ATOM 0 H ILE A 88 14.551 9.241 -23.933 1.00 0.00 H new ATOM 0 HA ILE A 88 13.901 7.051 -22.153 1.00 0.00 H new ATOM 0 HB ILE A 88 14.286 8.230 -20.104 1.00 0.00 H new ATOM 0 HG12 ILE A 88 13.601 10.451 -20.647 1.00 0.00 H new ATOM 0 HG13 ILE A 88 15.256 10.552 -20.081 1.00 0.00 H new ATOM 0 HG21 ILE A 88 16.718 8.637 -20.123 1.00 0.00 H new ATOM 0 HG22 ILE A 88 16.288 7.164 -21.025 1.00 0.00 H new ATOM 0 HG23 ILE A 88 16.695 8.658 -21.902 1.00 0.00 H new ATOM 0 HD11 ILE A 88 14.909 11.984 -22.033 1.00 0.00 H new ATOM 0 HD12 ILE A 88 16.060 10.681 -22.412 1.00 0.00 H new ATOM 0 HD13 ILE A 88 14.379 10.578 -22.987 1.00 0.00 H new ATOM 1442 N TRP A 89 11.985 8.887 -21.165 1.00 0.00 N ATOM 1443 CA TRP A 89 10.659 9.493 -21.068 1.00 0.00 C ATOM 1444 C TRP A 89 9.995 9.096 -19.753 1.00 0.00 C ATOM 1445 O TRP A 89 10.049 7.936 -19.349 1.00 0.00 O ATOM 1446 CB TRP A 89 9.771 9.065 -22.238 1.00 0.00 C ATOM 1447 CG TRP A 89 9.560 10.140 -23.258 1.00 0.00 C ATOM 1448 CD1 TRP A 89 10.076 10.186 -24.519 1.00 0.00 C ATOM 1449 CD2 TRP A 89 8.769 11.322 -23.102 1.00 0.00 C ATOM 1450 NE1 TRP A 89 9.661 11.329 -25.158 1.00 0.00 N ATOM 1451 CE2 TRP A 89 8.855 12.043 -24.308 1.00 0.00 C ATOM 1452 CE3 TRP A 89 7.998 11.840 -22.060 1.00 0.00 C ATOM 1453 CZ2 TRP A 89 8.198 13.255 -24.498 1.00 0.00 C ATOM 1454 CZ3 TRP A 89 7.346 13.042 -22.250 1.00 0.00 C ATOM 1455 CH2 TRP A 89 7.449 13.739 -23.461 1.00 0.00 C ATOM 0 H TRP A 89 12.356 8.560 -20.273 1.00 0.00 H new ATOM 0 HA TRP A 89 10.782 10.576 -21.103 1.00 0.00 H new ATOM 0 HB2 TRP A 89 10.219 8.198 -22.724 1.00 0.00 H new ATOM 0 HB3 TRP A 89 8.802 8.749 -21.851 1.00 0.00 H new ATOM 0 HD1 TRP A 89 10.718 9.433 -24.953 1.00 0.00 H new ATOM 0 HE1 TRP A 89 9.911 11.602 -26.108 1.00 0.00 H new ATOM 0 HE3 TRP A 89 7.913 11.310 -21.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 8.277 13.794 -25.431 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 6.746 13.452 -21.451 1.00 0.00 H new ATOM 0 HH2 TRP A 89 6.927 14.677 -23.578 1.00 0.00 H new ATOM 1466 N SER A 90 9.367 10.061 -19.089 1.00 0.00 N ATOM 1467 CA SER A 90 8.695 9.797 -17.821 1.00 0.00 C ATOM 1468 C SER A 90 7.760 8.599 -17.946 1.00 0.00 C ATOM 1469 O SER A 90 7.205 8.340 -19.013 1.00 0.00 O ATOM 1470 CB SER A 90 7.924 11.040 -17.358 1.00 0.00 C ATOM 1471 OG SER A 90 6.606 10.725 -16.937 1.00 0.00 O ATOM 0 H SER A 90 9.309 11.029 -19.406 1.00 0.00 H new ATOM 0 HA SER A 90 9.451 9.560 -17.072 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.462 11.515 -16.538 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.881 11.763 -18.172 1.00 0.00 H new ATOM 0 HG SER A 90 6.439 11.124 -16.057 1.00 0.00 H new ATOM 1477 N GLU A 91 7.592 7.872 -16.847 1.00 0.00 N ATOM 1478 CA GLU A 91 6.725 6.702 -16.835 1.00 0.00 C ATOM 1479 C GLU A 91 5.314 7.066 -17.288 1.00 0.00 C ATOM 1480 O GLU A 91 4.985 6.949 -18.467 1.00 0.00 O ATOM 1481 CB GLU A 91 6.694 6.080 -15.437 1.00 0.00 C ATOM 1482 CG GLU A 91 5.683 4.956 -15.293 1.00 0.00 C ATOM 1483 CD GLU A 91 6.139 3.676 -15.961 1.00 0.00 C ATOM 1484 OE1 GLU A 91 7.356 3.395 -15.938 1.00 0.00 O ATOM 1485 OE2 GLU A 91 5.280 2.954 -16.510 1.00 0.00 O ATOM 0 H GLU A 91 8.044 8.073 -15.955 1.00 0.00 H new ATOM 0 HA GLU A 91 7.127 5.970 -17.535 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.686 5.698 -15.197 1.00 0.00 H new ATOM 0 HB3 GLU A 91 6.467 6.857 -14.708 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.504 4.766 -14.235 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.733 5.269 -15.725 1.00 0.00 H new ATOM 1492 N TRP A 92 4.485 7.509 -16.348 1.00 0.00 N ATOM 1493 CA TRP A 92 3.109 7.890 -16.656 1.00 0.00 C ATOM 1494 C TRP A 92 2.366 8.295 -15.386 1.00 0.00 C ATOM 1495 O TRP A 92 2.309 7.534 -14.421 1.00 0.00 O ATOM 1496 CB TRP A 92 2.379 6.731 -17.342 1.00 0.00 C ATOM 1497 CG TRP A 92 2.337 6.846 -18.837 1.00 0.00 C ATOM 1498 CD1 TRP A 92 2.863 5.968 -19.741 1.00 0.00 C ATOM 1499 CD2 TRP A 92 1.731 7.895 -19.602 1.00 0.00 C ATOM 1500 NE1 TRP A 92 2.628 6.409 -21.020 1.00 0.00 N ATOM 1501 CE2 TRP A 92 1.933 7.589 -20.962 1.00 0.00 C ATOM 1502 CE3 TRP A 92 1.040 9.063 -19.270 1.00 0.00 C ATOM 1503 CZ2 TRP A 92 1.468 8.408 -21.987 1.00 0.00 C ATOM 1504 CZ3 TRP A 92 0.577 9.874 -20.290 1.00 0.00 C ATOM 1505 CH2 TRP A 92 0.792 9.544 -21.633 1.00 0.00 C ATOM 0 H TRP A 92 4.741 7.613 -15.366 1.00 0.00 H new ATOM 0 HA TRP A 92 3.133 8.744 -17.332 1.00 0.00 H new ATOM 0 HB2 TRP A 92 2.868 5.795 -17.072 1.00 0.00 H new ATOM 0 HB3 TRP A 92 1.359 6.680 -16.961 1.00 0.00 H new ATOM 0 HD1 TRP A 92 3.388 5.059 -19.487 1.00 0.00 H new ATOM 0 HE1 TRP A 92 2.923 5.936 -21.874 1.00 0.00 H new ATOM 0 HE3 TRP A 92 0.871 9.327 -18.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 1.635 8.156 -23.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.040 10.778 -20.046 1.00 0.00 H new ATOM 0 HH2 TRP A 92 0.417 10.199 -22.405 1.00 0.00 H new ATOM 1516 N SER A 93 1.800 9.498 -15.392 1.00 0.00 N ATOM 1517 CA SER A 93 1.063 10.002 -14.237 1.00 0.00 C ATOM 1518 C SER A 93 -0.186 9.170 -13.975 1.00 0.00 C ATOM 1519 O SER A 93 -0.815 8.665 -14.905 1.00 0.00 O ATOM 1520 CB SER A 93 0.666 11.462 -14.455 1.00 0.00 C ATOM 1521 OG SER A 93 -0.287 11.577 -15.496 1.00 0.00 O ATOM 0 H SER A 93 1.837 10.142 -16.182 1.00 0.00 H new ATOM 0 HA SER A 93 1.718 9.929 -13.369 1.00 0.00 H new ATOM 0 HB2 SER A 93 0.254 11.873 -13.533 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.550 12.051 -14.699 1.00 0.00 H new ATOM 0 HG SER A 93 -1.156 11.827 -15.118 1.00 0.00 H new ATOM 1527 N GLU A 94 -0.545 9.038 -12.701 1.00 0.00 N ATOM 1528 CA GLU A 94 -1.727 8.272 -12.315 1.00 0.00 C ATOM 1529 C GLU A 94 -2.936 8.681 -13.153 1.00 0.00 C ATOM 1530 O GLU A 94 -3.304 9.856 -13.200 1.00 0.00 O ATOM 1531 CB GLU A 94 -2.028 8.468 -10.829 1.00 0.00 C ATOM 1532 CG GLU A 94 -2.049 9.926 -10.401 1.00 0.00 C ATOM 1533 CD GLU A 94 -1.091 10.211 -9.260 1.00 0.00 C ATOM 1534 OE1 GLU A 94 0.127 10.299 -9.515 1.00 0.00 O ATOM 1535 OE2 GLU A 94 -1.562 10.347 -8.111 1.00 0.00 O ATOM 0 H GLU A 94 -0.036 9.451 -11.919 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.521 7.217 -12.497 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -2.993 8.016 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.279 7.936 -10.242 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.791 10.555 -11.253 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.060 10.198 -10.098 1.00 0.00 H new ATOM 1542 N ALA A 95 -3.542 7.705 -13.818 1.00 0.00 N ATOM 1543 CA ALA A 95 -4.703 7.954 -14.663 1.00 0.00 C ATOM 1544 C ALA A 95 -5.884 8.483 -13.855 1.00 0.00 C ATOM 1545 O ALA A 95 -6.113 8.064 -12.720 1.00 0.00 O ATOM 1546 CB ALA A 95 -5.097 6.683 -15.400 1.00 0.00 C ATOM 0 H ALA A 95 -3.247 6.729 -13.788 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.428 8.720 -15.388 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -5.965 6.881 -16.028 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -4.266 6.351 -16.023 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.342 5.904 -14.677 1.00 0.00 H new ATOM 1552 N ARG A 96 -6.633 9.404 -14.453 1.00 0.00 N ATOM 1553 CA ARG A 96 -7.797 9.994 -13.801 1.00 0.00 C ATOM 1554 C ARG A 96 -9.039 9.820 -14.668 1.00 0.00 C ATOM 1555 O ARG A 96 -8.961 9.877 -15.895 1.00 0.00 O ATOM 1556 CB ARG A 96 -7.558 11.480 -13.527 1.00 0.00 C ATOM 1557 CG ARG A 96 -6.673 11.743 -12.321 1.00 0.00 C ATOM 1558 CD ARG A 96 -7.496 11.912 -11.054 1.00 0.00 C ATOM 1559 NE ARG A 96 -7.624 13.314 -10.667 1.00 0.00 N ATOM 1560 CZ ARG A 96 -8.101 13.713 -9.493 1.00 0.00 C ATOM 1561 NH1 ARG A 96 -8.490 12.819 -8.594 1.00 0.00 N ATOM 1562 NH2 ARG A 96 -8.189 15.006 -9.216 1.00 0.00 N ATOM 0 H ARG A 96 -6.453 9.759 -15.392 1.00 0.00 H new ATOM 0 HA ARG A 96 -7.955 9.481 -12.853 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.102 11.934 -14.407 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -8.519 11.972 -13.376 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.973 10.917 -12.194 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -6.079 12.640 -12.493 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.488 11.486 -11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -7.031 11.353 -10.242 1.00 0.00 H new ATOM 0 HE ARG A 96 -7.331 14.027 -11.335 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -8.423 11.823 -8.803 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -8.856 13.127 -7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -7.890 15.697 -9.905 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -8.555 15.311 -8.314 1.00 0.00 H new ATOM 1576 N SER A 97 -10.183 9.603 -14.028 1.00 0.00 N ATOM 1577 CA SER A 97 -11.434 9.418 -14.754 1.00 0.00 C ATOM 1578 C SER A 97 -12.399 10.569 -14.491 1.00 0.00 C ATOM 1579 O SER A 97 -12.569 11.002 -13.352 1.00 0.00 O ATOM 1580 CB SER A 97 -12.086 8.091 -14.363 1.00 0.00 C ATOM 1581 OG SER A 97 -11.207 7.302 -13.579 1.00 0.00 O ATOM 0 H SER A 97 -10.270 9.551 -13.013 1.00 0.00 H new ATOM 0 HA SER A 97 -11.203 9.402 -15.819 1.00 0.00 H new ATOM 0 HB2 SER A 97 -13.003 8.283 -13.805 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.369 7.542 -15.261 1.00 0.00 H new ATOM 0 HG SER A 97 -10.974 6.487 -14.070 1.00 0.00 H new ATOM 1587 N TRP A 98 -13.031 11.056 -15.554 1.00 0.00 N ATOM 1588 CA TRP A 98 -13.984 12.153 -15.442 1.00 0.00 C ATOM 1589 C TRP A 98 -15.139 11.969 -16.424 1.00 0.00 C ATOM 1590 O TRP A 98 -14.959 11.428 -17.514 1.00 0.00 O ATOM 1591 CB TRP A 98 -13.283 13.496 -15.683 1.00 0.00 C ATOM 1592 CG TRP A 98 -13.021 13.796 -17.131 1.00 0.00 C ATOM 1593 CD1 TRP A 98 -13.907 14.303 -18.036 1.00 0.00 C ATOM 1594 CD2 TRP A 98 -11.792 13.603 -17.839 1.00 0.00 C ATOM 1595 NE1 TRP A 98 -13.302 14.439 -19.262 1.00 0.00 N ATOM 1596 CE2 TRP A 98 -12.003 14.015 -19.163 1.00 0.00 C ATOM 1597 CE3 TRP A 98 -10.533 13.124 -17.481 1.00 0.00 C ATOM 1598 CZ2 TRP A 98 -10.998 13.960 -20.124 1.00 0.00 C ATOM 1599 CZ3 TRP A 98 -9.539 13.070 -18.435 1.00 0.00 C ATOM 1600 CH2 TRP A 98 -9.778 13.488 -19.746 1.00 0.00 C ATOM 0 H TRP A 98 -12.900 10.707 -16.504 1.00 0.00 H new ATOM 0 HA TRP A 98 -14.393 12.150 -14.431 1.00 0.00 H new ATOM 0 HB2 TRP A 98 -13.894 14.294 -15.262 1.00 0.00 H new ATOM 0 HB3 TRP A 98 -12.336 13.502 -15.144 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -14.934 14.560 -17.820 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -13.747 14.797 -20.107 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -10.339 12.799 -16.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -11.180 14.282 -21.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -8.561 12.699 -18.165 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -8.981 13.436 -20.473 1.00 0.00 H new ATOM 1611 N ASP A 99 -16.323 12.426 -16.031 1.00 0.00 N ATOM 1612 CA ASP A 99 -17.504 12.311 -16.879 1.00 0.00 C ATOM 1613 C ASP A 99 -17.697 13.569 -17.718 1.00 0.00 C ATOM 1614 O ASP A 99 -17.686 14.684 -17.196 1.00 0.00 O ATOM 1615 CB ASP A 99 -18.748 12.056 -16.028 1.00 0.00 C ATOM 1616 CG ASP A 99 -19.132 13.259 -15.188 1.00 0.00 C ATOM 1617 OD1 ASP A 99 -19.826 14.153 -15.715 1.00 0.00 O ATOM 1618 OD2 ASP A 99 -18.735 13.307 -14.004 1.00 0.00 O ATOM 0 H ASP A 99 -16.490 12.879 -15.132 1.00 0.00 H new ATOM 0 HA ASP A 99 -17.354 11.467 -17.552 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -19.581 11.790 -16.678 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -18.569 11.202 -15.374 1.00 0.00 H new ATOM 1623 N THR A 100 -17.877 13.381 -19.020 1.00 0.00 N ATOM 1624 CA THR A 100 -18.075 14.500 -19.933 1.00 0.00 C ATOM 1625 C THR A 100 -19.559 14.792 -20.121 1.00 0.00 C ATOM 1626 O THR A 100 -20.114 14.580 -21.199 1.00 0.00 O ATOM 1627 CB THR A 100 -17.434 14.199 -21.285 1.00 0.00 C ATOM 1628 OG1 THR A 100 -17.283 12.805 -21.466 1.00 0.00 O ATOM 1629 CG2 THR A 100 -16.074 14.835 -21.462 1.00 0.00 C ATOM 0 H THR A 100 -17.890 12.464 -19.467 1.00 0.00 H new ATOM 0 HA THR A 100 -17.600 15.379 -19.498 1.00 0.00 H new ATOM 0 HB THR A 100 -18.112 14.624 -22.025 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.188 12.608 -22.421 1.00 0.00 H new ATOM 0 HG21 THR A 100 -15.678 14.579 -22.445 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.165 15.918 -21.378 1.00 0.00 H new ATOM 0 HG23 THR A 100 -15.397 14.467 -20.691 1.00 0.00 H new ATOM 1637 N GLU A 101 -20.194 15.283 -19.065 1.00 0.00 N ATOM 1638 CA GLU A 101 -21.614 15.609 -19.107 1.00 0.00 C ATOM 1639 C GLU A 101 -21.925 16.530 -20.282 1.00 0.00 C ATOM 1640 O GLU A 101 -21.731 17.742 -20.201 1.00 0.00 O ATOM 1641 CB GLU A 101 -22.044 16.273 -17.798 1.00 0.00 C ATOM 1642 CG GLU A 101 -21.065 17.323 -17.299 1.00 0.00 C ATOM 1643 CD GLU A 101 -21.641 18.176 -16.186 1.00 0.00 C ATOM 1644 OE1 GLU A 101 -22.867 18.102 -15.954 1.00 0.00 O ATOM 1645 OE2 GLU A 101 -20.867 18.918 -15.545 1.00 0.00 O ATOM 0 H GLU A 101 -19.747 15.465 -18.166 1.00 0.00 H new ATOM 0 HA GLU A 101 -22.171 14.681 -19.237 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -23.021 16.736 -17.939 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -22.163 15.506 -17.033 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -20.160 16.830 -16.943 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -20.772 17.965 -18.130 1.00 0.00 H new ATOM 1652 N SER A 102 -22.410 15.947 -21.373 1.00 0.00 N ATOM 1653 CA SER A 102 -22.748 16.718 -22.564 1.00 0.00 C ATOM 1654 C SER A 102 -21.534 17.486 -23.078 1.00 0.00 C ATOM 1655 O SER A 102 -20.546 17.603 -22.324 1.00 0.00 O ATOM 1656 CB SER A 102 -23.890 17.690 -22.260 1.00 0.00 C ATOM 1657 OG SER A 102 -25.146 17.039 -22.327 1.00 0.00 O ATOM 1658 OXT SER A 102 -21.582 17.961 -24.232 1.00 0.00 O ATOM 0 H SER A 102 -22.578 14.944 -21.457 1.00 0.00 H new ATOM 0 HA SER A 102 -23.069 16.022 -23.339 1.00 0.00 H new ATOM 0 HB2 SER A 102 -23.752 18.119 -21.268 1.00 0.00 H new ATOM 0 HB3 SER A 102 -23.867 18.516 -22.970 1.00 0.00 H new ATOM 0 HG SER A 102 -25.859 17.681 -22.127 1.00 0.00 H new TER 1664 SER A 102