USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 668 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 3 SER OG : rot 100:sc= 0.273 USER MOD Set 1.2: A 74 ASN : amide:sc= -0.161 K(o=0.11,f=-4!) USER MOD Set 2.1: A 65 ASN :FLIP amide:sc= 0.224 F(o=-1.1!,f=1.3) USER MOD Set 2.2: A 70 TYR OH : rot 149:sc= 1.03 USER MOD Set 3.1: A 18 LYS NZ :NH3+ -151:sc= -3.26! (180deg=-3.97!) USER MOD Set 3.2: A 20 ASN : amide:sc= -0.307 X(o=-6,f=-5.9) USER MOD Set 3.3: A 22 GLN : amide:sc= -2.45! C(o=-6!,f=-8.7!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN :FLIP amide:sc= -0.72 F(o=-4.5!,f=-0.72) USER MOD Single : A 10 ASN :FLIP amide:sc= -2.36! C(o=-3.2!,f=-2.4!) USER MOD Single : A 11 MET CE :methyl -136:sc= -0.514 (180deg=-2.93!) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.149 F(o=-3.3!,f=-0.15) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -152:sc= 1.3 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.306 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.64 F(o=-2!,f=-0.64) USER MOD Single : A 35 SER OG : rot -71:sc= 0.724 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -170:sc= -2.01! (180deg=-2.47!) USER MOD Single : A 42 HIS : no HD1:sc= -0.0247 K(o=-0.025,f=-1.1) USER MOD Single : A 45 THR OG1 : rot -62:sc= -0.537 USER MOD Single : A 47 MET CE :methyl 132:sc= -0.826 (180deg=-2.72!) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 1.11 (180deg=1) USER MOD Single : A 52 GLN : amide:sc= -1.58 K(o=-1.6,f=-4.4) USER MOD Single : A 53 LYS NZ :NH3+ -134:sc= -1.86! (180deg=-6.24!) USER MOD Single : A 55 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.4) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 ASN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 72 MET CE :methyl -133:sc= -1.3 (180deg=-2.53) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.0747 F(o=-0.65,f=-0.075) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.843 -0.950 -0.896 1.00 0.00 N ATOM 2 CA PRO A 1 1.894 -0.861 -1.914 1.00 0.00 C ATOM 3 C PRO A 1 1.976 -2.156 -2.709 1.00 0.00 C ATOM 4 O PRO A 1 1.223 -3.095 -2.458 1.00 0.00 O ATOM 5 CB PRO A 1 3.205 -0.595 -1.207 1.00 0.00 C ATOM 6 CG PRO A 1 2.969 -1.065 0.193 1.00 0.00 C ATOM 7 CD PRO A 1 1.508 -1.479 0.308 1.00 0.00 C ATOM 0 H2 PRO A 1 0.088 -1.565 -1.200 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.428 -0.036 -0.715 1.00 0.00 H new ATOM 0 HA PRO A 1 1.671 -0.055 -2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 1 4.027 -1.136 -1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.464 0.463 -1.233 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.623 -1.904 0.429 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.198 -0.272 0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 1 1.412 -2.563 0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.057 -1.073 1.214 1.00 0.00 H new ATOM 17 N VAL A 2 2.895 -2.213 -3.657 1.00 0.00 N ATOM 18 CA VAL A 2 3.065 -3.402 -4.476 1.00 0.00 C ATOM 19 C VAL A 2 4.500 -3.891 -4.404 1.00 0.00 C ATOM 20 O VAL A 2 5.420 -3.112 -4.139 1.00 0.00 O ATOM 21 CB VAL A 2 2.684 -3.164 -5.954 1.00 0.00 C ATOM 22 CG1 VAL A 2 1.266 -2.637 -6.068 1.00 0.00 C ATOM 23 CG2 VAL A 2 3.670 -2.222 -6.629 1.00 0.00 C ATOM 0 H VAL A 2 3.535 -1.451 -3.879 1.00 0.00 H new ATOM 0 HA VAL A 2 2.389 -4.157 -4.074 1.00 0.00 H new ATOM 0 HB VAL A 2 2.731 -4.123 -6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 2 1.021 -2.477 -7.118 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.573 -3.361 -5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 2 1.184 -1.693 -5.529 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.377 -2.073 -7.668 1.00 0.00 H new ATOM 0 HG22 VAL A 2 3.670 -1.263 -6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.670 -2.655 -6.592 1.00 0.00 H new ATOM 33 N SER A 3 4.689 -5.176 -4.633 1.00 0.00 N ATOM 34 CA SER A 3 6.014 -5.755 -4.601 1.00 0.00 C ATOM 35 C SER A 3 6.670 -5.631 -5.964 1.00 0.00 C ATOM 36 O SER A 3 6.212 -6.212 -6.948 1.00 0.00 O ATOM 37 CB SER A 3 5.957 -7.222 -4.171 1.00 0.00 C ATOM 38 OG SER A 3 5.209 -7.372 -2.974 1.00 0.00 O ATOM 0 H SER A 3 3.941 -5.837 -4.843 1.00 0.00 H new ATOM 0 HA SER A 3 6.610 -5.209 -3.870 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.506 -7.820 -4.963 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.968 -7.601 -4.022 1.00 0.00 H new ATOM 0 HG SER A 3 4.303 -7.677 -3.190 1.00 0.00 H new ATOM 44 N ILE A 4 7.726 -4.852 -6.013 1.00 0.00 N ATOM 45 CA ILE A 4 8.463 -4.638 -7.239 1.00 0.00 C ATOM 46 C ILE A 4 9.852 -5.236 -7.136 1.00 0.00 C ATOM 47 O ILE A 4 10.542 -5.078 -6.127 1.00 0.00 O ATOM 48 CB ILE A 4 8.560 -3.147 -7.592 1.00 0.00 C ATOM 49 CG1 ILE A 4 8.607 -2.293 -6.327 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.392 -2.741 -8.475 1.00 0.00 C ATOM 51 CD1 ILE A 4 8.772 -0.815 -6.603 1.00 0.00 C ATOM 0 H ILE A 4 8.098 -4.350 -5.207 1.00 0.00 H new ATOM 0 HA ILE A 4 7.915 -5.138 -8.038 1.00 0.00 H new ATOM 0 HB ILE A 4 9.485 -2.980 -8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 4 7.690 -2.448 -5.759 1.00 0.00 H new ATOM 0 HG13 ILE A 4 9.432 -2.632 -5.700 1.00 0.00 H new ATOM 0 HG21 ILE A 4 7.471 -1.682 -8.719 1.00 0.00 H new ATOM 0 HG22 ILE A 4 7.409 -3.327 -9.394 1.00 0.00 H new ATOM 0 HG23 ILE A 4 6.456 -2.923 -7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 4 8.797 -0.269 -5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 4 9.703 -0.648 -7.144 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.934 -0.461 -7.204 1.00 0.00 H new ATOM 63 N LYS A 5 10.251 -5.928 -8.180 1.00 0.00 N ATOM 64 CA LYS A 5 11.497 -6.663 -8.168 1.00 0.00 C ATOM 65 C LYS A 5 12.399 -6.198 -9.289 1.00 0.00 C ATOM 66 O LYS A 5 11.931 -5.833 -10.363 1.00 0.00 O ATOM 67 CB LYS A 5 11.231 -8.161 -8.305 1.00 0.00 C ATOM 68 CG LYS A 5 10.183 -8.673 -7.340 1.00 0.00 C ATOM 69 CD LYS A 5 9.756 -10.085 -7.680 1.00 0.00 C ATOM 70 CE LYS A 5 8.244 -10.181 -7.778 1.00 0.00 C ATOM 71 NZ LYS A 5 7.785 -11.585 -7.948 1.00 0.00 N ATOM 0 H LYS A 5 9.728 -5.997 -9.053 1.00 0.00 H new ATOM 0 HA LYS A 5 11.995 -6.476 -7.216 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.911 -8.375 -9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 5 12.162 -8.705 -8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.578 -8.646 -6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.315 -8.014 -7.362 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.206 -10.389 -8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.120 -10.774 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.795 -9.759 -6.879 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.896 -9.582 -8.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.747 -11.606 -8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.192 -11.980 -8.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.094 -12.152 -7.133 1.00 0.00 H new ATOM 85 N VAL A 6 13.688 -6.223 -9.031 1.00 0.00 N ATOM 86 CA VAL A 6 14.676 -5.813 -10.012 1.00 0.00 C ATOM 87 C VAL A 6 15.672 -6.940 -10.240 1.00 0.00 C ATOM 88 O VAL A 6 16.506 -7.227 -9.376 1.00 0.00 O ATOM 89 CB VAL A 6 15.437 -4.539 -9.575 1.00 0.00 C ATOM 90 CG1 VAL A 6 16.407 -4.093 -10.659 1.00 0.00 C ATOM 91 CG2 VAL A 6 14.463 -3.417 -9.239 1.00 0.00 C ATOM 0 H VAL A 6 14.082 -6.526 -8.141 1.00 0.00 H new ATOM 0 HA VAL A 6 14.144 -5.585 -10.935 1.00 0.00 H new ATOM 0 HB VAL A 6 16.009 -4.778 -8.678 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.932 -3.196 -10.331 1.00 0.00 H new ATOM 0 HG12 VAL A 6 17.130 -4.886 -10.850 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.856 -3.877 -11.574 1.00 0.00 H new ATOM 0 HG21 VAL A 6 15.020 -2.531 -8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 6 13.861 -3.183 -10.117 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.810 -3.733 -8.425 1.00 0.00 H new ATOM 101 N GLN A 7 15.558 -7.604 -11.382 1.00 0.00 N ATOM 102 CA GLN A 7 16.496 -8.645 -11.755 1.00 0.00 C ATOM 103 C GLN A 7 17.846 -8.024 -12.058 1.00 0.00 C ATOM 104 O GLN A 7 18.038 -7.398 -13.096 1.00 0.00 O ATOM 105 CB GLN A 7 15.997 -9.447 -12.963 1.00 0.00 C ATOM 106 CG GLN A 7 15.667 -10.905 -12.648 1.00 0.00 C ATOM 107 CD GLN A 7 16.893 -11.796 -12.451 1.00 0.00 C ATOM 108 OE1 GLN A 7 17.985 -11.236 -11.949 1.00 0.00 O flip ATOM 109 NE2 GLN A 7 16.849 -12.993 -12.746 1.00 0.00 N flip ATOM 0 H GLN A 7 14.821 -7.437 -12.067 1.00 0.00 H new ATOM 0 HA GLN A 7 16.590 -9.337 -10.918 1.00 0.00 H new ATOM 0 HB2 GLN A 7 15.107 -8.963 -13.365 1.00 0.00 H new ATOM 0 HB3 GLN A 7 16.757 -9.418 -13.744 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.057 -10.941 -11.746 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.062 -11.312 -13.458 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.993 -13.392 -13.130 1.00 0.00 H new ATOM 0 HE22 GLN A 7 17.669 -13.583 -12.606 1.00 0.00 H new ATOM 118 N VAL A 8 18.757 -8.172 -11.123 1.00 0.00 N ATOM 119 CA VAL A 8 20.096 -7.654 -11.265 1.00 0.00 C ATOM 120 C VAL A 8 20.875 -8.517 -12.249 1.00 0.00 C ATOM 121 O VAL A 8 20.828 -9.742 -12.166 1.00 0.00 O ATOM 122 CB VAL A 8 20.806 -7.646 -9.898 1.00 0.00 C ATOM 123 CG1 VAL A 8 22.234 -7.176 -10.028 1.00 0.00 C ATOM 124 CG2 VAL A 8 20.043 -6.779 -8.913 1.00 0.00 C ATOM 0 H VAL A 8 18.588 -8.656 -10.241 1.00 0.00 H new ATOM 0 HA VAL A 8 20.047 -6.632 -11.642 1.00 0.00 H new ATOM 0 HB VAL A 8 20.826 -8.668 -9.520 1.00 0.00 H new ATOM 0 HG11 VAL A 8 22.709 -7.181 -9.047 1.00 0.00 H new ATOM 0 HG12 VAL A 8 22.777 -7.843 -10.698 1.00 0.00 H new ATOM 0 HG13 VAL A 8 22.249 -6.164 -10.433 1.00 0.00 H new ATOM 0 HG21 VAL A 8 20.556 -6.783 -7.951 1.00 0.00 H new ATOM 0 HG22 VAL A 8 19.990 -5.758 -9.292 1.00 0.00 H new ATOM 0 HG23 VAL A 8 19.034 -7.172 -8.787 1.00 0.00 H new ATOM 134 N PRO A 9 21.584 -7.906 -13.205 1.00 0.00 N ATOM 135 CA PRO A 9 22.364 -8.657 -14.180 1.00 0.00 C ATOM 136 C PRO A 9 23.529 -9.387 -13.520 1.00 0.00 C ATOM 137 O PRO A 9 24.084 -8.924 -12.518 1.00 0.00 O ATOM 138 CB PRO A 9 22.863 -7.588 -15.156 1.00 0.00 C ATOM 139 CG PRO A 9 22.818 -6.313 -14.388 1.00 0.00 C ATOM 140 CD PRO A 9 21.682 -6.453 -13.413 1.00 0.00 C ATOM 0 HA PRO A 9 21.778 -9.434 -14.671 1.00 0.00 H new ATOM 0 HB2 PRO A 9 23.875 -7.807 -15.498 1.00 0.00 H new ATOM 0 HB3 PRO A 9 22.231 -7.537 -16.043 1.00 0.00 H new ATOM 0 HG2 PRO A 9 23.759 -6.139 -13.867 1.00 0.00 H new ATOM 0 HG3 PRO A 9 22.659 -5.463 -15.052 1.00 0.00 H new ATOM 0 HD2 PRO A 9 21.887 -5.927 -12.480 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.756 -6.042 -13.814 1.00 0.00 H new ATOM 148 N ASN A 10 23.877 -10.541 -14.063 1.00 0.00 N ATOM 149 CA ASN A 10 24.965 -11.341 -13.519 1.00 0.00 C ATOM 150 C ASN A 10 26.313 -10.721 -13.862 1.00 0.00 C ATOM 151 O ASN A 10 26.904 -11.040 -14.892 1.00 0.00 O ATOM 152 CB ASN A 10 24.905 -12.775 -14.059 1.00 0.00 C ATOM 153 CG ASN A 10 23.726 -13.580 -13.543 1.00 0.00 C ATOM 154 OD1 ASN A 10 23.940 -14.336 -12.475 1.00 0.00 O flip ATOM 155 ND2 ASN A 10 22.636 -13.541 -14.113 1.00 0.00 N flip ATOM 0 H ASN A 10 23.422 -10.947 -14.881 1.00 0.00 H new ATOM 0 HA ASN A 10 24.852 -11.365 -12.435 1.00 0.00 H new ATOM 0 HB2 ASN A 10 24.860 -12.741 -15.148 1.00 0.00 H new ATOM 0 HB3 ASN A 10 25.828 -13.291 -13.794 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.510 -12.947 -14.932 1.00 0.00 H new ATOM 0 HD22 ASN A 10 21.859 -14.103 -13.766 1.00 0.00 H new ATOM 162 N MET A 11 26.790 -9.819 -13.012 1.00 0.00 N ATOM 163 CA MET A 11 28.105 -9.214 -13.201 1.00 0.00 C ATOM 164 C MET A 11 28.798 -9.065 -11.859 1.00 0.00 C ATOM 165 O MET A 11 28.891 -7.967 -11.319 1.00 0.00 O ATOM 166 CB MET A 11 27.985 -7.843 -13.885 1.00 0.00 C ATOM 167 CG MET A 11 27.859 -7.923 -15.403 1.00 0.00 C ATOM 168 SD MET A 11 28.183 -6.350 -16.231 1.00 0.00 S ATOM 169 CE MET A 11 26.787 -5.365 -15.701 1.00 0.00 C ATOM 0 H MET A 11 26.288 -9.491 -12.187 1.00 0.00 H new ATOM 0 HA MET A 11 28.696 -9.866 -13.845 1.00 0.00 H new ATOM 0 HB2 MET A 11 27.115 -7.322 -13.484 1.00 0.00 H new ATOM 0 HB3 MET A 11 28.860 -7.244 -13.633 1.00 0.00 H new ATOM 0 HG2 MET A 11 28.554 -8.674 -15.779 1.00 0.00 H new ATOM 0 HG3 MET A 11 26.855 -8.261 -15.660 1.00 0.00 H new ATOM 0 HE1 MET A 11 26.386 -4.814 -16.552 1.00 0.00 H new ATOM 0 HE2 MET A 11 26.014 -6.018 -15.295 1.00 0.00 H new ATOM 0 HE3 MET A 11 27.109 -4.662 -14.933 1.00 0.00 H new ATOM 179 N GLN A 12 29.303 -10.181 -11.335 1.00 0.00 N ATOM 180 CA GLN A 12 29.830 -10.205 -9.974 1.00 0.00 C ATOM 181 C GLN A 12 31.226 -9.606 -9.943 1.00 0.00 C ATOM 182 O GLN A 12 31.548 -8.774 -9.098 1.00 0.00 O ATOM 183 CB GLN A 12 29.898 -11.645 -9.433 1.00 0.00 C ATOM 184 CG GLN A 12 28.686 -12.518 -9.744 1.00 0.00 C ATOM 185 CD GLN A 12 28.800 -13.239 -11.077 1.00 0.00 C ATOM 186 OE1 GLN A 12 28.236 -12.660 -12.128 1.00 0.00 O flip ATOM 187 NE2 GLN A 12 29.368 -14.325 -11.155 1.00 0.00 N flip ATOM 0 H GLN A 12 29.358 -11.072 -11.828 1.00 0.00 H new ATOM 0 HA GLN A 12 29.157 -9.619 -9.348 1.00 0.00 H new ATOM 0 HB2 GLN A 12 30.786 -12.127 -9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 12 30.027 -11.603 -8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 12 28.561 -13.253 -8.949 1.00 0.00 H new ATOM 0 HG3 GLN A 12 27.790 -11.898 -9.748 1.00 0.00 H new ATOM 0 HE21 GLN A 12 29.791 -14.740 -10.325 1.00 0.00 H new ATOM 0 HE22 GLN A 12 29.417 -14.812 -12.050 1.00 0.00 H new ATOM 196 N ASP A 13 32.039 -10.034 -10.887 1.00 0.00 N ATOM 197 CA ASP A 13 33.416 -9.582 -10.989 1.00 0.00 C ATOM 198 C ASP A 13 33.666 -8.940 -12.340 1.00 0.00 C ATOM 199 O ASP A 13 34.797 -8.585 -12.675 1.00 0.00 O ATOM 200 CB ASP A 13 34.379 -10.748 -10.757 1.00 0.00 C ATOM 201 CG ASP A 13 33.854 -12.053 -11.318 1.00 0.00 C ATOM 202 OD1 ASP A 13 33.621 -12.138 -12.536 1.00 0.00 O ATOM 203 OD2 ASP A 13 33.665 -13.008 -10.533 1.00 0.00 O ATOM 0 H ASP A 13 31.766 -10.704 -11.606 1.00 0.00 H new ATOM 0 HA ASP A 13 33.593 -8.833 -10.218 1.00 0.00 H new ATOM 0 HB2 ASP A 13 35.340 -10.519 -11.217 1.00 0.00 H new ATOM 0 HB3 ASP A 13 34.557 -10.861 -9.688 1.00 0.00 H new ATOM 208 N LYS A 14 32.596 -8.773 -13.109 1.00 0.00 N ATOM 209 CA LYS A 14 32.698 -8.184 -14.439 1.00 0.00 C ATOM 210 C LYS A 14 32.767 -6.675 -14.322 1.00 0.00 C ATOM 211 O LYS A 14 33.154 -5.975 -15.254 1.00 0.00 O ATOM 212 CB LYS A 14 31.490 -8.565 -15.300 1.00 0.00 C ATOM 213 CG LYS A 14 31.028 -9.999 -15.115 1.00 0.00 C ATOM 214 CD LYS A 14 32.123 -10.994 -15.452 1.00 0.00 C ATOM 215 CE LYS A 14 31.743 -12.390 -15.002 1.00 0.00 C ATOM 216 NZ LYS A 14 32.749 -13.404 -15.416 1.00 0.00 N ATOM 0 H LYS A 14 31.650 -9.037 -12.835 1.00 0.00 H new ATOM 0 HA LYS A 14 33.602 -8.566 -14.914 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.663 -7.895 -15.065 1.00 0.00 H new ATOM 0 HB3 LYS A 14 31.740 -8.407 -16.349 1.00 0.00 H new ATOM 0 HG2 LYS A 14 30.708 -10.147 -14.084 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.161 -10.186 -15.748 1.00 0.00 H new ATOM 0 HD2 LYS A 14 32.304 -10.991 -16.527 1.00 0.00 H new ATOM 0 HD3 LYS A 14 33.054 -10.693 -14.971 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.639 -12.405 -13.917 1.00 0.00 H new ATOM 0 HE3 LYS A 14 30.771 -12.653 -15.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 32.450 -14.344 -15.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 32.831 -13.409 -16.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.672 -13.169 -14.997 1.00 0.00 H new ATOM 230 N THR A 15 32.398 -6.192 -13.155 1.00 0.00 N ATOM 231 CA THR A 15 32.294 -4.767 -12.915 1.00 0.00 C ATOM 232 C THR A 15 32.511 -4.443 -11.435 1.00 0.00 C ATOM 233 O THR A 15 32.743 -5.338 -10.617 1.00 0.00 O ATOM 234 CB THR A 15 30.918 -4.241 -13.383 1.00 0.00 C ATOM 235 OG1 THR A 15 30.848 -2.817 -13.243 1.00 0.00 O ATOM 236 CG2 THR A 15 29.793 -4.896 -12.594 1.00 0.00 C ATOM 0 H THR A 15 32.163 -6.772 -12.349 1.00 0.00 H new ATOM 0 HA THR A 15 33.075 -4.269 -13.490 1.00 0.00 H new ATOM 0 HB THR A 15 30.801 -4.497 -14.436 1.00 0.00 H new ATOM 0 HG1 THR A 15 29.916 -2.547 -13.103 1.00 0.00 H new ATOM 0 HG21 THR A 15 28.834 -4.511 -12.940 1.00 0.00 H new ATOM 0 HG22 THR A 15 29.825 -5.975 -12.742 1.00 0.00 H new ATOM 0 HG23 THR A 15 29.913 -4.671 -11.534 1.00 0.00 H new ATOM 244 N GLU A 16 32.411 -3.161 -11.104 1.00 0.00 N ATOM 245 CA GLU A 16 32.687 -2.664 -9.763 1.00 0.00 C ATOM 246 C GLU A 16 31.423 -2.643 -8.911 1.00 0.00 C ATOM 247 O GLU A 16 31.465 -2.324 -7.725 1.00 0.00 O ATOM 248 CB GLU A 16 33.272 -1.252 -9.858 1.00 0.00 C ATOM 249 CG GLU A 16 32.393 -0.295 -10.655 1.00 0.00 C ATOM 250 CD GLU A 16 33.030 1.061 -10.877 1.00 0.00 C ATOM 251 OE1 GLU A 16 33.904 1.173 -11.762 1.00 0.00 O ATOM 252 OE2 GLU A 16 32.648 2.026 -10.180 1.00 0.00 O ATOM 0 H GLU A 16 32.134 -2.433 -11.763 1.00 0.00 H new ATOM 0 HA GLU A 16 33.403 -3.333 -9.286 1.00 0.00 H new ATOM 0 HB2 GLU A 16 33.413 -0.855 -8.853 1.00 0.00 H new ATOM 0 HB3 GLU A 16 34.257 -1.303 -10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.164 -0.743 -11.622 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.446 -0.162 -10.132 1.00 0.00 H new ATOM 259 N TRP A 17 30.305 -2.987 -9.526 1.00 0.00 N ATOM 260 CA TRP A 17 29.015 -2.922 -8.852 1.00 0.00 C ATOM 261 C TRP A 17 28.731 -4.211 -8.087 1.00 0.00 C ATOM 262 O TRP A 17 29.459 -5.198 -8.205 1.00 0.00 O ATOM 263 CB TRP A 17 27.897 -2.657 -9.860 1.00 0.00 C ATOM 264 CG TRP A 17 28.171 -1.480 -10.741 1.00 0.00 C ATOM 265 CD1 TRP A 17 28.573 -0.237 -10.346 1.00 0.00 C ATOM 266 CD2 TRP A 17 28.058 -1.434 -12.165 1.00 0.00 C ATOM 267 NE1 TRP A 17 28.733 0.572 -11.441 1.00 0.00 N ATOM 268 CE2 TRP A 17 28.420 -0.140 -12.570 1.00 0.00 C ATOM 269 CE3 TRP A 17 27.693 -2.366 -13.140 1.00 0.00 C ATOM 270 CZ2 TRP A 17 28.427 0.241 -13.907 1.00 0.00 C ATOM 271 CZ3 TRP A 17 27.697 -1.983 -14.464 1.00 0.00 C ATOM 272 CH2 TRP A 17 28.063 -0.690 -14.837 1.00 0.00 C ATOM 0 H TRP A 17 30.262 -3.315 -10.491 1.00 0.00 H new ATOM 0 HA TRP A 17 29.052 -2.099 -8.139 1.00 0.00 H new ATOM 0 HB2 TRP A 17 27.757 -3.543 -10.480 1.00 0.00 H new ATOM 0 HB3 TRP A 17 26.963 -2.492 -9.323 1.00 0.00 H new ATOM 0 HD1 TRP A 17 28.740 0.065 -9.323 1.00 0.00 H new ATOM 0 HE1 TRP A 17 29.036 1.546 -11.419 1.00 0.00 H new ATOM 0 HE3 TRP A 17 27.412 -3.371 -12.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 28.711 1.241 -14.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 27.412 -2.695 -15.224 1.00 0.00 H new ATOM 0 HH2 TRP A 17 28.058 -0.420 -15.883 1.00 0.00 H new ATOM 283 N LYS A 18 27.653 -4.194 -7.322 1.00 0.00 N ATOM 284 CA LYS A 18 27.265 -5.320 -6.490 1.00 0.00 C ATOM 285 C LYS A 18 26.304 -6.239 -7.234 1.00 0.00 C ATOM 286 O LYS A 18 25.454 -6.903 -6.631 1.00 0.00 O ATOM 287 CB LYS A 18 26.597 -4.804 -5.221 1.00 0.00 C ATOM 288 CG LYS A 18 25.312 -4.040 -5.479 1.00 0.00 C ATOM 289 CD LYS A 18 24.160 -4.688 -4.747 1.00 0.00 C ATOM 290 CE LYS A 18 23.061 -5.142 -5.686 1.00 0.00 C ATOM 291 NZ LYS A 18 21.964 -5.794 -4.930 1.00 0.00 N ATOM 0 H LYS A 18 27.020 -3.396 -7.260 1.00 0.00 H new ATOM 0 HA LYS A 18 28.159 -5.889 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 18 26.383 -5.647 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.295 -4.156 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 18 25.424 -3.006 -5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 18 25.104 -4.015 -6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 18 24.528 -5.544 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 18 23.749 -3.982 -4.025 1.00 0.00 H new ATOM 0 HE2 LYS A 18 22.671 -4.287 -6.238 1.00 0.00 H new ATOM 0 HE3 LYS A 18 23.467 -5.838 -6.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 21.497 -6.500 -5.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 22.354 -6.263 -4.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 21.270 -5.077 -4.637 1.00 0.00 H new ATOM 305 N LEU A 19 26.432 -6.287 -8.540 1.00 0.00 N ATOM 306 CA LEU A 19 25.524 -7.073 -9.341 1.00 0.00 C ATOM 307 C LEU A 19 25.960 -8.531 -9.309 1.00 0.00 C ATOM 308 O LEU A 19 27.122 -8.830 -9.521 1.00 0.00 O ATOM 309 CB LEU A 19 25.516 -6.572 -10.788 1.00 0.00 C ATOM 310 CG LEU A 19 25.493 -5.054 -10.959 1.00 0.00 C ATOM 311 CD1 LEU A 19 25.411 -4.689 -12.428 1.00 0.00 C ATOM 312 CD2 LEU A 19 24.338 -4.443 -10.198 1.00 0.00 C ATOM 0 H LEU A 19 27.152 -5.794 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 19 24.518 -6.978 -8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.398 -6.964 -11.294 1.00 0.00 H new ATOM 0 HB3 LEU A 19 24.646 -6.990 -11.294 1.00 0.00 H new ATOM 0 HG LEU A 19 26.420 -4.651 -10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.395 -3.604 -12.533 1.00 0.00 H new ATOM 0 HD12 LEU A 19 26.278 -5.092 -12.952 1.00 0.00 H new ATOM 0 HD13 LEU A 19 24.501 -5.108 -12.857 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.343 -3.362 -10.335 1.00 0.00 H new ATOM 0 HD22 LEU A 19 23.399 -4.852 -10.572 1.00 0.00 H new ATOM 0 HD23 LEU A 19 24.438 -4.674 -9.138 1.00 0.00 H new ATOM 324 N ASN A 20 25.047 -9.441 -9.027 1.00 0.00 N ATOM 325 CA ASN A 20 25.423 -10.847 -8.911 1.00 0.00 C ATOM 326 C ASN A 20 24.396 -11.743 -9.574 1.00 0.00 C ATOM 327 O ASN A 20 24.388 -12.954 -9.370 1.00 0.00 O ATOM 328 CB ASN A 20 25.592 -11.238 -7.438 1.00 0.00 C ATOM 329 CG ASN A 20 26.809 -10.590 -6.802 1.00 0.00 C ATOM 330 OD1 ASN A 20 27.856 -11.218 -6.659 1.00 0.00 O ATOM 331 ND2 ASN A 20 26.686 -9.318 -6.466 1.00 0.00 N ATOM 0 H ASN A 20 24.058 -9.244 -8.876 1.00 0.00 H new ATOM 0 HA ASN A 20 26.376 -10.982 -9.423 1.00 0.00 H new ATOM 0 HB2 ASN A 20 24.699 -10.949 -6.884 1.00 0.00 H new ATOM 0 HB3 ASN A 20 25.679 -12.322 -7.360 1.00 0.00 H new ATOM 0 HD21 ASN A 20 27.481 -8.816 -6.069 1.00 0.00 H new ATOM 0 HD22 ASN A 20 25.797 -8.838 -6.603 1.00 0.00 H new ATOM 338 N GLY A 21 23.545 -11.145 -10.395 1.00 0.00 N ATOM 339 CA GLY A 21 22.492 -11.900 -11.039 1.00 0.00 C ATOM 340 C GLY A 21 21.287 -12.092 -10.140 1.00 0.00 C ATOM 341 O GLY A 21 20.295 -12.691 -10.549 1.00 0.00 O ATOM 0 H GLY A 21 23.565 -10.152 -10.626 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.184 -11.386 -11.950 1.00 0.00 H new ATOM 0 HA3 GLY A 21 22.878 -12.875 -11.338 1.00 0.00 H new ATOM 345 N GLN A 22 21.375 -11.572 -8.917 1.00 0.00 N ATOM 346 CA GLN A 22 20.309 -11.742 -7.938 1.00 0.00 C ATOM 347 C GLN A 22 19.101 -10.881 -8.286 1.00 0.00 C ATOM 348 O GLN A 22 19.121 -10.109 -9.241 1.00 0.00 O ATOM 349 CB GLN A 22 20.802 -11.395 -6.527 1.00 0.00 C ATOM 350 CG GLN A 22 21.112 -9.919 -6.326 1.00 0.00 C ATOM 351 CD GLN A 22 22.583 -9.646 -6.099 1.00 0.00 C ATOM 352 OE1 GLN A 22 23.301 -10.466 -5.536 1.00 0.00 O ATOM 353 NE2 GLN A 22 23.044 -8.495 -6.556 1.00 0.00 N ATOM 0 H GLN A 22 22.173 -11.031 -8.583 1.00 0.00 H new ATOM 0 HA GLN A 22 20.009 -12.790 -7.960 1.00 0.00 H new ATOM 0 HB2 GLN A 22 20.045 -11.699 -5.804 1.00 0.00 H new ATOM 0 HB3 GLN A 22 21.699 -11.977 -6.313 1.00 0.00 H new ATOM 0 HG2 GLN A 22 20.776 -9.361 -7.200 1.00 0.00 H new ATOM 0 HG3 GLN A 22 20.544 -9.548 -5.473 1.00 0.00 H new ATOM 0 HE21 GLN A 22 22.413 -7.840 -7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 22 24.031 -8.261 -6.446 1.00 0.00 H new ATOM 362 N VAL A 23 18.061 -11.002 -7.486 1.00 0.00 N ATOM 363 CA VAL A 23 16.830 -10.269 -7.713 1.00 0.00 C ATOM 364 C VAL A 23 16.544 -9.373 -6.520 1.00 0.00 C ATOM 365 O VAL A 23 16.487 -9.843 -5.385 1.00 0.00 O ATOM 366 CB VAL A 23 15.629 -11.218 -7.931 1.00 0.00 C ATOM 367 CG1 VAL A 23 14.382 -10.431 -8.305 1.00 0.00 C ATOM 368 CG2 VAL A 23 15.946 -12.257 -8.995 1.00 0.00 C ATOM 0 H VAL A 23 18.044 -11.607 -6.665 1.00 0.00 H new ATOM 0 HA VAL A 23 16.961 -9.672 -8.616 1.00 0.00 H new ATOM 0 HB VAL A 23 15.436 -11.740 -6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 23 13.549 -11.118 -8.454 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.138 -9.733 -7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 23 14.564 -9.877 -9.226 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.086 -12.913 -9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 23 16.173 -11.756 -9.936 1.00 0.00 H new ATOM 0 HG23 VAL A 23 16.807 -12.848 -8.682 1.00 0.00 H new ATOM 378 N LEU A 24 16.377 -8.089 -6.769 1.00 0.00 N ATOM 379 CA LEU A 24 16.061 -7.156 -5.705 1.00 0.00 C ATOM 380 C LEU A 24 14.563 -7.110 -5.499 1.00 0.00 C ATOM 381 O LEU A 24 13.803 -7.188 -6.458 1.00 0.00 O ATOM 382 CB LEU A 24 16.583 -5.757 -6.030 1.00 0.00 C ATOM 383 CG LEU A 24 18.099 -5.653 -6.173 1.00 0.00 C ATOM 384 CD1 LEU A 24 18.513 -4.219 -6.456 1.00 0.00 C ATOM 385 CD2 LEU A 24 18.784 -6.174 -4.921 1.00 0.00 C ATOM 0 H LEU A 24 16.454 -7.669 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 24 16.547 -7.497 -4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 24 16.121 -5.419 -6.958 1.00 0.00 H new ATOM 0 HB3 LEU A 24 16.259 -5.073 -5.246 1.00 0.00 H new ATOM 0 HG LEU A 24 18.410 -6.268 -7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.597 -4.166 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.048 -3.882 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 24 18.192 -3.579 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 24 19.865 -6.094 -5.037 1.00 0.00 H new ATOM 0 HD22 LEU A 24 18.467 -5.585 -4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 24 18.512 -7.218 -4.765 1.00 0.00 H new ATOM 397 N VAL A 25 14.145 -6.991 -4.256 1.00 0.00 N ATOM 398 CA VAL A 25 12.734 -6.990 -3.925 1.00 0.00 C ATOM 399 C VAL A 25 12.415 -5.802 -3.042 1.00 0.00 C ATOM 400 O VAL A 25 12.835 -5.739 -1.885 1.00 0.00 O ATOM 401 CB VAL A 25 12.301 -8.287 -3.208 1.00 0.00 C ATOM 402 CG1 VAL A 25 10.814 -8.249 -2.885 1.00 0.00 C ATOM 403 CG2 VAL A 25 12.634 -9.511 -4.048 1.00 0.00 C ATOM 0 H VAL A 25 14.766 -6.893 -3.453 1.00 0.00 H new ATOM 0 HA VAL A 25 12.182 -6.926 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 25 12.856 -8.357 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 25 10.528 -9.172 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.604 -7.399 -2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.244 -8.149 -3.808 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.319 -10.411 -3.520 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.113 -9.449 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.709 -9.551 -4.223 1.00 0.00 H new ATOM 413 N PHE A 26 11.694 -4.856 -3.605 1.00 0.00 N ATOM 414 CA PHE A 26 11.278 -3.673 -2.880 1.00 0.00 C ATOM 415 C PHE A 26 9.764 -3.576 -2.925 1.00 0.00 C ATOM 416 O PHE A 26 9.127 -4.180 -3.783 1.00 0.00 O ATOM 417 CB PHE A 26 11.904 -2.410 -3.488 1.00 0.00 C ATOM 418 CG PHE A 26 13.406 -2.346 -3.385 1.00 0.00 C ATOM 419 CD1 PHE A 26 14.206 -2.921 -4.360 1.00 0.00 C ATOM 420 CD2 PHE A 26 14.017 -1.704 -2.318 1.00 0.00 C ATOM 421 CE1 PHE A 26 15.584 -2.862 -4.270 1.00 0.00 C ATOM 422 CE2 PHE A 26 15.395 -1.642 -2.223 1.00 0.00 C ATOM 423 CZ PHE A 26 16.179 -2.222 -3.200 1.00 0.00 C ATOM 0 H PHE A 26 11.380 -4.884 -4.575 1.00 0.00 H new ATOM 0 HA PHE A 26 11.616 -3.751 -1.847 1.00 0.00 H new ATOM 0 HB2 PHE A 26 11.622 -2.350 -4.539 1.00 0.00 H new ATOM 0 HB3 PHE A 26 11.481 -1.536 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 26 13.747 -3.421 -5.200 1.00 0.00 H new ATOM 0 HD2 PHE A 26 13.409 -1.247 -1.552 1.00 0.00 H new ATOM 0 HE1 PHE A 26 16.195 -3.316 -5.036 1.00 0.00 H new ATOM 0 HE2 PHE A 26 15.857 -1.141 -1.386 1.00 0.00 H new ATOM 0 HZ PHE A 26 17.256 -2.176 -3.128 1.00 0.00 H new ATOM 433 N THR A 27 9.181 -2.852 -1.998 1.00 0.00 N ATOM 434 CA THR A 27 7.746 -2.661 -2.003 1.00 0.00 C ATOM 435 C THR A 27 7.421 -1.179 -1.964 1.00 0.00 C ATOM 436 O THR A 27 7.684 -0.496 -0.974 1.00 0.00 O ATOM 437 CB THR A 27 7.073 -3.366 -0.815 1.00 0.00 C ATOM 438 OG1 THR A 27 7.630 -4.678 -0.649 1.00 0.00 O ATOM 439 CG2 THR A 27 5.571 -3.483 -1.019 1.00 0.00 C ATOM 0 H THR A 27 9.673 -2.387 -1.235 1.00 0.00 H new ATOM 0 HA THR A 27 7.358 -3.102 -2.921 1.00 0.00 H new ATOM 0 HB THR A 27 7.255 -2.766 0.077 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.199 -5.123 0.111 1.00 0.00 H new ATOM 0 HG21 THR A 27 5.125 -3.986 -0.161 1.00 0.00 H new ATOM 0 HG22 THR A 27 5.139 -2.487 -1.120 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.370 -4.059 -1.922 1.00 0.00 H new ATOM 447 N LEU A 28 6.858 -0.694 -3.044 1.00 0.00 N ATOM 448 CA LEU A 28 6.523 0.712 -3.167 1.00 0.00 C ATOM 449 C LEU A 28 5.099 0.857 -3.656 1.00 0.00 C ATOM 450 O LEU A 28 4.568 -0.049 -4.300 1.00 0.00 O ATOM 451 CB LEU A 28 7.479 1.419 -4.134 1.00 0.00 C ATOM 452 CG LEU A 28 8.914 1.605 -3.631 1.00 0.00 C ATOM 453 CD1 LEU A 28 9.807 2.119 -4.751 1.00 0.00 C ATOM 454 CD2 LEU A 28 8.942 2.567 -2.454 1.00 0.00 C ATOM 0 H LEU A 28 6.618 -1.256 -3.861 1.00 0.00 H new ATOM 0 HA LEU A 28 6.621 1.177 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.510 0.852 -5.065 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.067 2.400 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 28 9.292 0.637 -3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 28 10.823 2.246 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.809 1.402 -5.572 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.429 3.077 -5.107 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.968 2.689 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.547 3.534 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.331 2.169 -1.644 1.00 0.00 H new ATOM 466 N PRO A 29 4.441 1.969 -3.322 1.00 0.00 N ATOM 467 CA PRO A 29 3.112 2.260 -3.837 1.00 0.00 C ATOM 468 C PRO A 29 3.138 2.473 -5.344 1.00 0.00 C ATOM 469 O PRO A 29 4.139 2.932 -5.899 1.00 0.00 O ATOM 470 CB PRO A 29 2.709 3.549 -3.113 1.00 0.00 C ATOM 471 CG PRO A 29 3.986 4.159 -2.656 1.00 0.00 C ATOM 472 CD PRO A 29 4.931 3.019 -2.412 1.00 0.00 C ATOM 0 HA PRO A 29 2.413 1.442 -3.666 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.168 4.221 -3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 29 2.051 3.337 -2.270 1.00 0.00 H new ATOM 0 HG2 PRO A 29 4.383 4.840 -3.409 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.836 4.741 -1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.961 3.296 -2.636 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.907 2.693 -1.372 1.00 0.00 H new ATOM 480 N LEU A 30 2.030 2.144 -5.993 1.00 0.00 N ATOM 481 CA LEU A 30 1.887 2.307 -7.441 1.00 0.00 C ATOM 482 C LEU A 30 2.050 3.778 -7.840 1.00 0.00 C ATOM 483 O LEU A 30 2.202 4.109 -9.015 1.00 0.00 O ATOM 484 CB LEU A 30 0.510 1.791 -7.877 1.00 0.00 C ATOM 485 CG LEU A 30 0.289 1.686 -9.386 1.00 0.00 C ATOM 486 CD1 LEU A 30 1.248 0.677 -9.991 1.00 0.00 C ATOM 487 CD2 LEU A 30 -1.150 1.299 -9.691 1.00 0.00 C ATOM 0 H LEU A 30 1.204 1.757 -5.536 1.00 0.00 H new ATOM 0 HA LEU A 30 2.667 1.732 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.355 0.806 -7.436 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.253 2.450 -7.462 1.00 0.00 H new ATOM 0 HG LEU A 30 0.484 2.662 -9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.079 0.613 -11.066 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.274 0.993 -9.803 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.081 -0.301 -9.539 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.287 1.229 -10.770 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.372 0.335 -9.234 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.823 2.055 -9.288 1.00 0.00 H new ATOM 499 N THR A 31 2.031 4.648 -6.839 1.00 0.00 N ATOM 500 CA THR A 31 2.120 6.080 -7.048 1.00 0.00 C ATOM 501 C THR A 31 3.555 6.527 -7.311 1.00 0.00 C ATOM 502 O THR A 31 3.784 7.608 -7.860 1.00 0.00 O ATOM 503 CB THR A 31 1.566 6.823 -5.826 1.00 0.00 C ATOM 504 OG1 THR A 31 2.293 6.440 -4.650 1.00 0.00 O ATOM 505 CG2 THR A 31 0.096 6.494 -5.635 1.00 0.00 C ATOM 0 H THR A 31 1.953 4.376 -5.859 1.00 0.00 H new ATOM 0 HA THR A 31 1.526 6.321 -7.930 1.00 0.00 H new ATOM 0 HB THR A 31 1.677 7.895 -5.991 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.935 6.919 -3.874 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.286 7.027 -4.765 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.463 6.797 -6.520 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.020 5.421 -5.483 1.00 0.00 H new ATOM 513 N ASP A 32 4.523 5.703 -6.914 1.00 0.00 N ATOM 514 CA ASP A 32 5.922 6.010 -7.196 1.00 0.00 C ATOM 515 C ASP A 32 6.219 5.805 -8.674 1.00 0.00 C ATOM 516 O ASP A 32 5.328 5.490 -9.469 1.00 0.00 O ATOM 517 CB ASP A 32 6.888 5.178 -6.340 1.00 0.00 C ATOM 518 CG ASP A 32 7.167 5.817 -4.993 1.00 0.00 C ATOM 519 OD1 ASP A 32 6.321 5.706 -4.084 1.00 0.00 O ATOM 520 OD2 ASP A 32 8.234 6.447 -4.841 1.00 0.00 O ATOM 0 H ASP A 32 4.368 4.833 -6.405 1.00 0.00 H new ATOM 0 HA ASP A 32 6.080 7.056 -6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.469 4.184 -6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 32 7.827 5.049 -6.879 1.00 0.00 H new ATOM 525 N GLN A 33 7.470 5.975 -9.049 1.00 0.00 N ATOM 526 CA GLN A 33 7.833 5.954 -10.451 1.00 0.00 C ATOM 527 C GLN A 33 9.183 5.296 -10.671 1.00 0.00 C ATOM 528 O GLN A 33 9.895 4.979 -9.717 1.00 0.00 O ATOM 529 CB GLN A 33 7.837 7.377 -11.022 1.00 0.00 C ATOM 530 CG GLN A 33 8.536 8.409 -10.138 1.00 0.00 C ATOM 531 CD GLN A 33 7.651 8.961 -9.023 1.00 0.00 C ATOM 532 OE1 GLN A 33 6.366 9.120 -9.298 1.00 0.00 O flip ATOM 533 NE2 GLN A 33 8.132 9.279 -7.935 1.00 0.00 N flip ATOM 0 H GLN A 33 8.248 6.128 -8.407 1.00 0.00 H new ATOM 0 HA GLN A 33 7.085 5.360 -10.977 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.323 7.363 -11.997 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.807 7.693 -11.184 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.422 7.955 -9.695 1.00 0.00 H new ATOM 0 HG3 GLN A 33 8.879 9.235 -10.761 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.127 9.142 -7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.535 9.679 -7.211 1.00 0.00 H new ATOM 542 N VAL A 34 9.530 5.110 -11.941 1.00 0.00 N ATOM 543 CA VAL A 34 10.790 4.479 -12.315 1.00 0.00 C ATOM 544 C VAL A 34 11.969 5.305 -11.815 1.00 0.00 C ATOM 545 O VAL A 34 13.054 4.782 -11.562 1.00 0.00 O ATOM 546 CB VAL A 34 10.897 4.306 -13.843 1.00 0.00 C ATOM 547 CG1 VAL A 34 12.158 3.545 -14.219 1.00 0.00 C ATOM 548 CG2 VAL A 34 9.658 3.612 -14.385 1.00 0.00 C ATOM 0 H VAL A 34 8.951 5.390 -12.733 1.00 0.00 H new ATOM 0 HA VAL A 34 10.814 3.493 -11.850 1.00 0.00 H new ATOM 0 HB VAL A 34 10.961 5.295 -14.296 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.208 3.437 -15.302 1.00 0.00 H new ATOM 0 HG12 VAL A 34 13.032 4.093 -13.868 1.00 0.00 H new ATOM 0 HG13 VAL A 34 12.139 2.558 -13.757 1.00 0.00 H new ATOM 0 HG21 VAL A 34 9.748 3.497 -15.465 1.00 0.00 H new ATOM 0 HG22 VAL A 34 9.559 2.630 -13.923 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.776 4.211 -14.156 1.00 0.00 H new ATOM 558 N SER A 35 11.733 6.601 -11.663 1.00 0.00 N ATOM 559 CA SER A 35 12.723 7.523 -11.122 1.00 0.00 C ATOM 560 C SER A 35 13.246 7.040 -9.763 1.00 0.00 C ATOM 561 O SER A 35 14.411 7.250 -9.423 1.00 0.00 O ATOM 562 CB SER A 35 12.085 8.901 -10.977 1.00 0.00 C ATOM 563 OG SER A 35 11.116 9.103 -11.994 1.00 0.00 O ATOM 0 H SER A 35 10.848 7.044 -11.912 1.00 0.00 H new ATOM 0 HA SER A 35 13.571 7.573 -11.805 1.00 0.00 H new ATOM 0 HB2 SER A 35 11.618 8.992 -9.996 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.852 9.673 -11.037 1.00 0.00 H new ATOM 0 HG SER A 35 11.566 9.211 -12.858 1.00 0.00 H new ATOM 569 N VAL A 36 12.382 6.381 -8.998 1.00 0.00 N ATOM 570 CA VAL A 36 12.751 5.863 -7.696 1.00 0.00 C ATOM 571 C VAL A 36 13.552 4.573 -7.843 1.00 0.00 C ATOM 572 O VAL A 36 14.362 4.235 -6.985 1.00 0.00 O ATOM 573 CB VAL A 36 11.496 5.589 -6.846 1.00 0.00 C ATOM 574 CG1 VAL A 36 11.852 5.436 -5.384 1.00 0.00 C ATOM 575 CG2 VAL A 36 10.472 6.697 -7.038 1.00 0.00 C ATOM 0 H VAL A 36 11.415 6.195 -9.265 1.00 0.00 H new ATOM 0 HA VAL A 36 13.364 6.613 -7.197 1.00 0.00 H new ATOM 0 HB VAL A 36 11.057 4.650 -7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 36 10.947 5.243 -4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 36 12.544 4.602 -5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 36 12.322 6.352 -5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 36 9.591 6.488 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 36 10.905 7.650 -6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 36 10.184 6.749 -8.088 1.00 0.00 H new ATOM 585 N ILE A 37 13.314 3.850 -8.931 1.00 0.00 N ATOM 586 CA ILE A 37 14.034 2.606 -9.202 1.00 0.00 C ATOM 587 C ILE A 37 15.473 2.900 -9.624 1.00 0.00 C ATOM 588 O ILE A 37 16.416 2.316 -9.100 1.00 0.00 O ATOM 589 CB ILE A 37 13.345 1.766 -10.308 1.00 0.00 C ATOM 590 CG1 ILE A 37 11.848 1.603 -10.013 1.00 0.00 C ATOM 591 CG2 ILE A 37 14.020 0.406 -10.445 1.00 0.00 C ATOM 592 CD1 ILE A 37 11.540 0.977 -8.670 1.00 0.00 C ATOM 0 H ILE A 37 12.628 4.102 -9.642 1.00 0.00 H new ATOM 0 HA ILE A 37 14.028 2.030 -8.277 1.00 0.00 H new ATOM 0 HB ILE A 37 13.448 2.296 -11.255 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.372 2.582 -10.061 1.00 0.00 H new ATOM 0 HG13 ILE A 37 11.400 0.992 -10.796 1.00 0.00 H new ATOM 0 HG21 ILE A 37 13.523 -0.170 -11.226 1.00 0.00 H new ATOM 0 HG22 ILE A 37 15.069 0.545 -10.708 1.00 0.00 H new ATOM 0 HG23 ILE A 37 13.952 -0.131 -9.499 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.460 0.899 -8.544 1.00 0.00 H new ATOM 0 HD12 ILE A 37 11.983 -0.018 -8.622 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.954 1.598 -7.876 1.00 0.00 H new ATOM 604 N LYS A 38 15.633 3.825 -10.558 1.00 0.00 N ATOM 605 CA LYS A 38 16.957 4.184 -11.057 1.00 0.00 C ATOM 606 C LYS A 38 17.842 4.741 -9.943 1.00 0.00 C ATOM 607 O LYS A 38 19.036 4.446 -9.885 1.00 0.00 O ATOM 608 CB LYS A 38 16.855 5.210 -12.186 1.00 0.00 C ATOM 609 CG LYS A 38 15.881 6.334 -11.897 1.00 0.00 C ATOM 610 CD LYS A 38 16.320 7.649 -12.522 1.00 0.00 C ATOM 611 CE LYS A 38 17.570 8.196 -11.849 1.00 0.00 C ATOM 612 NZ LYS A 38 17.930 9.546 -12.363 1.00 0.00 N ATOM 0 H LYS A 38 14.865 4.342 -10.987 1.00 0.00 H new ATOM 0 HA LYS A 38 17.413 3.272 -11.441 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.842 5.634 -12.371 1.00 0.00 H new ATOM 0 HB3 LYS A 38 16.550 4.702 -13.101 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.895 6.065 -12.276 1.00 0.00 H new ATOM 0 HG3 LYS A 38 15.784 6.461 -10.819 1.00 0.00 H new ATOM 0 HD2 LYS A 38 16.512 7.502 -13.585 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.514 8.378 -12.442 1.00 0.00 H new ATOM 0 HE2 LYS A 38 17.410 8.248 -10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 38 18.401 7.511 -12.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 18.787 9.884 -11.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 18.108 9.492 -13.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 17.147 10.206 -12.182 1.00 0.00 H new ATOM 626 N VAL A 39 17.263 5.550 -9.058 1.00 0.00 N ATOM 627 CA VAL A 39 18.046 6.168 -7.996 1.00 0.00 C ATOM 628 C VAL A 39 18.437 5.141 -6.934 1.00 0.00 C ATOM 629 O VAL A 39 19.572 5.142 -6.461 1.00 0.00 O ATOM 630 CB VAL A 39 17.314 7.372 -7.348 1.00 0.00 C ATOM 631 CG1 VAL A 39 16.025 6.945 -6.663 1.00 0.00 C ATOM 632 CG2 VAL A 39 18.230 8.100 -6.372 1.00 0.00 C ATOM 0 H VAL A 39 16.271 5.789 -9.056 1.00 0.00 H new ATOM 0 HA VAL A 39 18.954 6.554 -8.459 1.00 0.00 H new ATOM 0 HB VAL A 39 17.046 8.061 -8.149 1.00 0.00 H new ATOM 0 HG11 VAL A 39 15.542 7.816 -6.221 1.00 0.00 H new ATOM 0 HG12 VAL A 39 15.357 6.492 -7.395 1.00 0.00 H new ATOM 0 HG13 VAL A 39 16.251 6.220 -5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 39 17.696 8.941 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 39 18.542 7.414 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 39 19.109 8.467 -6.902 1.00 0.00 H new ATOM 642 N LYS A 40 17.519 4.237 -6.595 1.00 0.00 N ATOM 643 CA LYS A 40 17.801 3.233 -5.571 1.00 0.00 C ATOM 644 C LYS A 40 18.922 2.298 -6.022 1.00 0.00 C ATOM 645 O LYS A 40 19.791 1.939 -5.228 1.00 0.00 O ATOM 646 CB LYS A 40 16.548 2.429 -5.174 1.00 0.00 C ATOM 647 CG LYS A 40 15.849 1.708 -6.310 1.00 0.00 C ATOM 648 CD LYS A 40 14.825 0.703 -5.797 1.00 0.00 C ATOM 649 CE LYS A 40 14.059 1.220 -4.582 1.00 0.00 C ATOM 650 NZ LYS A 40 13.357 2.505 -4.847 1.00 0.00 N ATOM 0 H LYS A 40 16.588 4.179 -7.007 1.00 0.00 H new ATOM 0 HA LYS A 40 18.129 3.771 -4.682 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.833 1.694 -4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.836 3.107 -4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 40 15.354 2.436 -6.952 1.00 0.00 H new ATOM 0 HG3 LYS A 40 16.588 1.193 -6.923 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.120 0.468 -6.594 1.00 0.00 H new ATOM 0 HD3 LYS A 40 15.332 -0.226 -5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.331 0.471 -4.272 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.752 1.354 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.997 2.895 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.020 3.181 -5.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.562 2.339 -5.497 1.00 0.00 H new ATOM 664 N ILE A 41 18.922 1.934 -7.301 1.00 0.00 N ATOM 665 CA ILE A 41 19.965 1.068 -7.848 1.00 0.00 C ATOM 666 C ILE A 41 21.306 1.795 -7.886 1.00 0.00 C ATOM 667 O ILE A 41 22.340 1.234 -7.526 1.00 0.00 O ATOM 668 CB ILE A 41 19.609 0.589 -9.269 1.00 0.00 C ATOM 669 CG1 ILE A 41 18.282 -0.160 -9.251 1.00 0.00 C ATOM 670 CG2 ILE A 41 20.710 -0.302 -9.833 1.00 0.00 C ATOM 671 CD1 ILE A 41 17.741 -0.425 -10.632 1.00 0.00 C ATOM 0 H ILE A 41 18.215 2.223 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 41 20.040 0.200 -7.193 1.00 0.00 H new ATOM 0 HB ILE A 41 19.515 1.463 -9.913 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.412 -1.108 -8.729 1.00 0.00 H new ATOM 0 HG13 ILE A 41 17.552 0.418 -8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.436 -0.628 -10.837 1.00 0.00 H new ATOM 0 HG22 ILE A 41 21.645 0.257 -9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 41 20.837 -1.174 -9.191 1.00 0.00 H new ATOM 0 HD11 ILE A 41 16.795 -0.961 -10.555 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.581 0.522 -11.148 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.455 -1.028 -11.193 1.00 0.00 H new ATOM 683 N HIS A 42 21.275 3.051 -8.314 1.00 0.00 N ATOM 684 CA HIS A 42 22.479 3.881 -8.384 1.00 0.00 C ATOM 685 C HIS A 42 23.160 4.000 -7.018 1.00 0.00 C ATOM 686 O HIS A 42 24.380 4.112 -6.936 1.00 0.00 O ATOM 687 CB HIS A 42 22.138 5.272 -8.943 1.00 0.00 C ATOM 688 CG HIS A 42 23.232 6.294 -8.777 1.00 0.00 C ATOM 689 ND1 HIS A 42 24.501 6.140 -9.295 1.00 0.00 N ATOM 690 CD2 HIS A 42 23.240 7.480 -8.119 1.00 0.00 C ATOM 691 CE1 HIS A 42 25.237 7.188 -8.970 1.00 0.00 C ATOM 692 NE2 HIS A 42 24.497 8.013 -8.259 1.00 0.00 N ATOM 0 H HIS A 42 20.424 3.523 -8.621 1.00 0.00 H new ATOM 0 HA HIS A 42 23.182 3.394 -9.060 1.00 0.00 H new ATOM 0 HB2 HIS A 42 21.904 5.177 -10.003 1.00 0.00 H new ATOM 0 HB3 HIS A 42 21.238 5.638 -8.450 1.00 0.00 H new ATOM 0 HD2 HIS A 42 22.412 7.922 -7.585 1.00 0.00 H new ATOM 0 HE1 HIS A 42 26.271 7.342 -9.242 1.00 0.00 H new ATOM 0 HE2 HIS A 42 24.808 8.905 -7.874 1.00 0.00 H new ATOM 701 N GLU A 43 22.373 3.986 -5.954 1.00 0.00 N ATOM 702 CA GLU A 43 22.923 4.070 -4.606 1.00 0.00 C ATOM 703 C GLU A 43 23.396 2.697 -4.146 1.00 0.00 C ATOM 704 O GLU A 43 24.434 2.563 -3.497 1.00 0.00 O ATOM 705 CB GLU A 43 21.874 4.595 -3.627 1.00 0.00 C ATOM 706 CG GLU A 43 21.309 5.957 -3.985 1.00 0.00 C ATOM 707 CD GLU A 43 20.276 6.426 -2.983 1.00 0.00 C ATOM 708 OE1 GLU A 43 19.194 5.805 -2.900 1.00 0.00 O ATOM 709 OE2 GLU A 43 20.551 7.405 -2.258 1.00 0.00 O ATOM 0 H GLU A 43 21.356 3.918 -5.994 1.00 0.00 H new ATOM 0 HA GLU A 43 23.767 4.759 -4.627 1.00 0.00 H new ATOM 0 HB2 GLU A 43 21.055 3.878 -3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 43 22.317 4.649 -2.633 1.00 0.00 H new ATOM 0 HG2 GLU A 43 22.120 6.683 -4.036 1.00 0.00 H new ATOM 0 HG3 GLU A 43 20.858 5.913 -4.976 1.00 0.00 H new ATOM 716 N ALA A 44 22.629 1.679 -4.516 1.00 0.00 N ATOM 717 CA ALA A 44 22.878 0.320 -4.063 1.00 0.00 C ATOM 718 C ALA A 44 24.096 -0.279 -4.747 1.00 0.00 C ATOM 719 O ALA A 44 25.000 -0.794 -4.088 1.00 0.00 O ATOM 720 CB ALA A 44 21.649 -0.548 -4.314 1.00 0.00 C ATOM 0 H ALA A 44 21.823 1.773 -5.134 1.00 0.00 H new ATOM 0 HA ALA A 44 23.081 0.353 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA A 44 21.845 -1.564 -3.971 1.00 0.00 H new ATOM 0 HB2 ALA A 44 20.798 -0.139 -3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 44 21.425 -0.562 -5.381 1.00 0.00 H new ATOM 726 N THR A 45 24.124 -0.203 -6.064 1.00 0.00 N ATOM 727 CA THR A 45 25.184 -0.825 -6.829 1.00 0.00 C ATOM 728 C THR A 45 26.263 0.194 -7.161 1.00 0.00 C ATOM 729 O THR A 45 27.455 -0.084 -7.049 1.00 0.00 O ATOM 730 CB THR A 45 24.635 -1.452 -8.130 1.00 0.00 C ATOM 731 OG1 THR A 45 24.511 -0.460 -9.158 1.00 0.00 O ATOM 732 CG2 THR A 45 23.265 -2.063 -7.884 1.00 0.00 C ATOM 0 H THR A 45 23.424 0.283 -6.625 1.00 0.00 H new ATOM 0 HA THR A 45 25.617 -1.619 -6.220 1.00 0.00 H new ATOM 0 HB THR A 45 25.336 -2.223 -8.448 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.871 0.226 -8.875 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.890 -2.501 -8.809 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.344 -2.838 -7.122 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.577 -1.289 -7.545 1.00 0.00 H new ATOM 740 N GLY A 46 25.824 1.379 -7.556 1.00 0.00 N ATOM 741 CA GLY A 46 26.742 2.439 -7.895 1.00 0.00 C ATOM 742 C GLY A 46 26.486 2.981 -9.281 1.00 0.00 C ATOM 743 O GLY A 46 26.878 4.102 -9.600 1.00 0.00 O ATOM 0 H GLY A 46 24.838 1.624 -7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 46 26.651 3.245 -7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 46 27.765 2.068 -7.833 1.00 0.00 H new ATOM 747 N MET A 47 25.794 2.200 -10.101 1.00 0.00 N ATOM 748 CA MET A 47 25.596 2.563 -11.499 1.00 0.00 C ATOM 749 C MET A 47 24.492 3.607 -11.660 1.00 0.00 C ATOM 750 O MET A 47 23.344 3.390 -11.270 1.00 0.00 O ATOM 751 CB MET A 47 25.288 1.322 -12.335 1.00 0.00 C ATOM 752 CG MET A 47 23.951 0.679 -12.011 1.00 0.00 C ATOM 753 SD MET A 47 23.857 -1.054 -12.505 1.00 0.00 S ATOM 754 CE MET A 47 23.957 -0.934 -14.290 1.00 0.00 C ATOM 0 H MET A 47 25.363 1.317 -9.825 1.00 0.00 H new ATOM 0 HA MET A 47 26.524 3.008 -11.859 1.00 0.00 H new ATOM 0 HB2 MET A 47 25.303 1.594 -13.390 1.00 0.00 H new ATOM 0 HB3 MET A 47 26.079 0.588 -12.183 1.00 0.00 H new ATOM 0 HG2 MET A 47 23.769 0.755 -10.939 1.00 0.00 H new ATOM 0 HG3 MET A 47 23.157 1.236 -12.509 1.00 0.00 H new ATOM 0 HE1 MET A 47 24.693 -1.646 -14.662 1.00 0.00 H new ATOM 0 HE2 MET A 47 22.983 -1.159 -14.725 1.00 0.00 H new ATOM 0 HE3 MET A 47 24.255 0.076 -14.571 1.00 0.00 H new ATOM 764 N PRO A 48 24.839 4.771 -12.216 1.00 0.00 N ATOM 765 CA PRO A 48 23.869 5.824 -12.506 1.00 0.00 C ATOM 766 C PRO A 48 22.907 5.425 -13.622 1.00 0.00 C ATOM 767 O PRO A 48 23.227 4.571 -14.456 1.00 0.00 O ATOM 768 CB PRO A 48 24.730 7.014 -12.937 1.00 0.00 C ATOM 769 CG PRO A 48 26.037 6.435 -13.355 1.00 0.00 C ATOM 770 CD PRO A 48 26.211 5.154 -12.586 1.00 0.00 C ATOM 0 HA PRO A 48 23.238 6.041 -11.644 1.00 0.00 H new ATOM 0 HB2 PRO A 48 24.263 7.559 -13.757 1.00 0.00 H new ATOM 0 HB3 PRO A 48 24.859 7.721 -12.118 1.00 0.00 H new ATOM 0 HG2 PRO A 48 26.051 6.246 -14.428 1.00 0.00 H new ATOM 0 HG3 PRO A 48 26.852 7.127 -13.143 1.00 0.00 H new ATOM 0 HD2 PRO A 48 26.690 4.386 -13.193 1.00 0.00 H new ATOM 0 HD3 PRO A 48 26.836 5.299 -11.705 1.00 0.00 H new ATOM 778 N ALA A 49 21.736 6.052 -13.638 1.00 0.00 N ATOM 779 CA ALA A 49 20.703 5.752 -14.629 1.00 0.00 C ATOM 780 C ALA A 49 21.167 6.075 -16.044 1.00 0.00 C ATOM 781 O ALA A 49 20.564 5.631 -17.025 1.00 0.00 O ATOM 782 CB ALA A 49 19.439 6.525 -14.313 1.00 0.00 C ATOM 0 H ALA A 49 21.475 6.778 -12.971 1.00 0.00 H new ATOM 0 HA ALA A 49 20.499 4.682 -14.580 1.00 0.00 H new ATOM 0 HB1 ALA A 49 18.676 6.295 -15.057 1.00 0.00 H new ATOM 0 HB2 ALA A 49 19.078 6.244 -13.324 1.00 0.00 H new ATOM 0 HB3 ALA A 49 19.652 7.594 -14.331 1.00 0.00 H new ATOM 788 N GLY A 50 22.239 6.855 -16.132 1.00 0.00 N ATOM 789 CA GLY A 50 22.831 7.201 -17.408 1.00 0.00 C ATOM 790 C GLY A 50 23.115 5.991 -18.272 1.00 0.00 C ATOM 791 O GLY A 50 22.999 6.052 -19.495 1.00 0.00 O ATOM 0 H GLY A 50 22.715 7.259 -15.325 1.00 0.00 H new ATOM 0 HA2 GLY A 50 22.161 7.874 -17.943 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.760 7.745 -17.237 1.00 0.00 H new ATOM 795 N LYS A 51 23.465 4.880 -17.636 1.00 0.00 N ATOM 796 CA LYS A 51 23.802 3.667 -18.371 1.00 0.00 C ATOM 797 C LYS A 51 23.023 2.478 -17.826 1.00 0.00 C ATOM 798 O LYS A 51 23.113 1.372 -18.345 1.00 0.00 O ATOM 799 CB LYS A 51 25.306 3.356 -18.316 1.00 0.00 C ATOM 800 CG LYS A 51 26.191 4.451 -17.720 1.00 0.00 C ATOM 801 CD LYS A 51 26.044 4.547 -16.207 1.00 0.00 C ATOM 802 CE LYS A 51 26.126 3.188 -15.545 1.00 0.00 C ATOM 803 NZ LYS A 51 27.429 2.518 -15.808 1.00 0.00 N ATOM 0 H LYS A 51 23.523 4.793 -16.621 1.00 0.00 H new ATOM 0 HA LYS A 51 23.529 3.842 -19.412 1.00 0.00 H new ATOM 0 HB2 LYS A 51 25.448 2.444 -17.736 1.00 0.00 H new ATOM 0 HB3 LYS A 51 25.652 3.147 -19.328 1.00 0.00 H new ATOM 0 HG2 LYS A 51 27.233 4.251 -17.970 1.00 0.00 H new ATOM 0 HG3 LYS A 51 25.933 5.410 -18.170 1.00 0.00 H new ATOM 0 HD2 LYS A 51 26.825 5.194 -15.807 1.00 0.00 H new ATOM 0 HD3 LYS A 51 25.089 5.012 -15.964 1.00 0.00 H new ATOM 0 HE2 LYS A 51 25.986 3.299 -14.470 1.00 0.00 H new ATOM 0 HE3 LYS A 51 25.314 2.558 -15.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 27.499 1.656 -15.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 27.493 2.266 -16.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 28.207 3.163 -15.563 1.00 0.00 H new ATOM 817 N GLN A 52 22.268 2.711 -16.773 1.00 0.00 N ATOM 818 CA GLN A 52 21.480 1.670 -16.153 1.00 0.00 C ATOM 819 C GLN A 52 20.041 1.723 -16.672 1.00 0.00 C ATOM 820 O GLN A 52 19.377 2.757 -16.611 1.00 0.00 O ATOM 821 CB GLN A 52 21.596 1.832 -14.634 1.00 0.00 C ATOM 822 CG GLN A 52 20.372 1.460 -13.818 1.00 0.00 C ATOM 823 CD GLN A 52 19.608 2.673 -13.343 1.00 0.00 C ATOM 824 OE1 GLN A 52 18.598 3.060 -13.919 1.00 0.00 O ATOM 825 NE2 GLN A 52 20.153 3.339 -12.343 1.00 0.00 N ATOM 0 H GLN A 52 22.184 3.624 -16.325 1.00 0.00 H new ATOM 0 HA GLN A 52 21.848 0.677 -16.411 1.00 0.00 H new ATOM 0 HB2 GLN A 52 22.433 1.225 -14.289 1.00 0.00 H new ATOM 0 HB3 GLN A 52 21.846 2.871 -14.420 1.00 0.00 H new ATOM 0 HG2 GLN A 52 19.715 0.832 -14.419 1.00 0.00 H new ATOM 0 HG3 GLN A 52 20.679 0.867 -12.957 1.00 0.00 H new ATOM 0 HE21 GLN A 52 20.994 2.982 -11.891 1.00 0.00 H new ATOM 0 HE22 GLN A 52 19.733 4.211 -12.022 1.00 0.00 H new ATOM 834 N LYS A 53 19.594 0.624 -17.262 1.00 0.00 N ATOM 835 CA LYS A 53 18.262 0.552 -17.841 1.00 0.00 C ATOM 836 C LYS A 53 17.384 -0.421 -17.070 1.00 0.00 C ATOM 837 O LYS A 53 17.857 -1.452 -16.594 1.00 0.00 O ATOM 838 CB LYS A 53 18.343 0.108 -19.301 1.00 0.00 C ATOM 839 CG LYS A 53 19.295 0.929 -20.150 1.00 0.00 C ATOM 840 CD LYS A 53 18.592 2.083 -20.839 1.00 0.00 C ATOM 841 CE LYS A 53 18.667 3.375 -20.038 1.00 0.00 C ATOM 842 NZ LYS A 53 17.774 3.394 -18.846 1.00 0.00 N ATOM 0 H LYS A 53 20.138 -0.234 -17.352 1.00 0.00 H new ATOM 0 HA LYS A 53 17.820 1.547 -17.784 1.00 0.00 H new ATOM 0 HB2 LYS A 53 18.653 -0.936 -19.335 1.00 0.00 H new ATOM 0 HB3 LYS A 53 17.347 0.159 -19.740 1.00 0.00 H new ATOM 0 HG2 LYS A 53 20.098 1.316 -19.523 1.00 0.00 H new ATOM 0 HG3 LYS A 53 19.758 0.287 -20.900 1.00 0.00 H new ATOM 0 HD2 LYS A 53 19.038 2.242 -21.821 1.00 0.00 H new ATOM 0 HD3 LYS A 53 17.547 1.821 -21.003 1.00 0.00 H new ATOM 0 HE2 LYS A 53 19.696 3.531 -19.713 1.00 0.00 H new ATOM 0 HE3 LYS A 53 18.408 4.211 -20.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 17.264 4.299 -18.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 17.090 2.614 -18.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 18.344 3.282 -17.983 1.00 0.00 H new ATOM 856 N LEU A 54 16.106 -0.088 -16.956 1.00 0.00 N ATOM 857 CA LEU A 54 15.154 -0.942 -16.265 1.00 0.00 C ATOM 858 C LEU A 54 14.149 -1.501 -17.266 1.00 0.00 C ATOM 859 O LEU A 54 13.446 -0.751 -17.935 1.00 0.00 O ATOM 860 CB LEU A 54 14.407 -0.172 -15.164 1.00 0.00 C ATOM 861 CG LEU A 54 15.269 0.555 -14.124 1.00 0.00 C ATOM 862 CD1 LEU A 54 16.442 -0.309 -13.696 1.00 0.00 C ATOM 863 CD2 LEU A 54 15.740 1.905 -14.651 1.00 0.00 C ATOM 0 H LEU A 54 15.705 0.770 -17.335 1.00 0.00 H new ATOM 0 HA LEU A 54 15.707 -1.756 -15.796 1.00 0.00 H new ATOM 0 HB2 LEU A 54 13.759 0.563 -15.642 1.00 0.00 H new ATOM 0 HB3 LEU A 54 13.759 -0.873 -14.638 1.00 0.00 H new ATOM 0 HG LEU A 54 14.653 0.741 -13.244 1.00 0.00 H new ATOM 0 HD11 LEU A 54 17.039 0.227 -12.958 1.00 0.00 H new ATOM 0 HD12 LEU A 54 16.071 -1.236 -13.258 1.00 0.00 H new ATOM 0 HD13 LEU A 54 17.060 -0.540 -14.564 1.00 0.00 H new ATOM 0 HD21 LEU A 54 16.349 2.399 -13.894 1.00 0.00 H new ATOM 0 HD22 LEU A 54 16.333 1.757 -15.553 1.00 0.00 H new ATOM 0 HD23 LEU A 54 14.875 2.527 -14.883 1.00 0.00 H new ATOM 875 N GLN A 55 14.096 -2.813 -17.376 1.00 0.00 N ATOM 876 CA GLN A 55 13.212 -3.466 -18.326 1.00 0.00 C ATOM 877 C GLN A 55 12.041 -4.150 -17.625 1.00 0.00 C ATOM 878 O GLN A 55 12.207 -5.166 -16.961 1.00 0.00 O ATOM 879 CB GLN A 55 14.012 -4.475 -19.144 1.00 0.00 C ATOM 880 CG GLN A 55 13.162 -5.451 -19.934 1.00 0.00 C ATOM 881 CD GLN A 55 13.993 -6.404 -20.767 1.00 0.00 C ATOM 882 OE1 GLN A 55 14.383 -7.475 -20.303 1.00 0.00 O ATOM 883 NE2 GLN A 55 14.254 -6.027 -22.006 1.00 0.00 N ATOM 0 H GLN A 55 14.658 -3.454 -16.816 1.00 0.00 H new ATOM 0 HA GLN A 55 12.792 -2.709 -18.988 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.660 -3.934 -19.834 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.661 -5.037 -18.472 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.539 -6.023 -19.247 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.489 -4.895 -20.587 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.911 -5.130 -22.349 1.00 0.00 H new ATOM 0 HE22 GLN A 55 14.799 -6.633 -22.619 1.00 0.00 H new ATOM 892 N TYR A 56 10.855 -3.610 -17.804 1.00 0.00 N ATOM 893 CA TYR A 56 9.660 -4.181 -17.202 1.00 0.00 C ATOM 894 C TYR A 56 8.877 -4.947 -18.232 1.00 0.00 C ATOM 895 O TYR A 56 8.360 -4.373 -19.182 1.00 0.00 O ATOM 896 CB TYR A 56 8.794 -3.099 -16.563 1.00 0.00 C ATOM 897 CG TYR A 56 7.433 -3.589 -16.094 1.00 0.00 C ATOM 898 CD1 TYR A 56 7.323 -4.701 -15.265 1.00 0.00 C ATOM 899 CD2 TYR A 56 6.262 -2.942 -16.476 1.00 0.00 C ATOM 900 CE1 TYR A 56 6.092 -5.152 -14.833 1.00 0.00 C ATOM 901 CE2 TYR A 56 5.027 -3.391 -16.047 1.00 0.00 C ATOM 902 CZ TYR A 56 4.948 -4.496 -15.228 1.00 0.00 C ATOM 903 OH TYR A 56 3.719 -4.942 -14.796 1.00 0.00 O ATOM 0 H TYR A 56 10.688 -2.773 -18.363 1.00 0.00 H new ATOM 0 HA TYR A 56 9.969 -4.867 -16.414 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.329 -2.676 -15.713 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.650 -2.293 -17.282 1.00 0.00 H new ATOM 0 HD1 TYR A 56 8.217 -5.221 -14.954 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.319 -2.075 -17.118 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.027 -6.016 -14.188 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.127 -2.877 -16.353 1.00 0.00 H new ATOM 0 HH TYR A 56 3.015 -4.368 -15.164 1.00 0.00 H new ATOM 913 N GLU A 57 8.837 -6.260 -18.044 1.00 0.00 N ATOM 914 CA GLU A 57 8.128 -7.156 -18.940 1.00 0.00 C ATOM 915 C GLU A 57 8.637 -7.022 -20.370 1.00 0.00 C ATOM 916 O GLU A 57 7.898 -7.235 -21.330 1.00 0.00 O ATOM 917 CB GLU A 57 6.633 -6.871 -18.862 1.00 0.00 C ATOM 918 CG GLU A 57 6.057 -7.193 -17.502 1.00 0.00 C ATOM 919 CD GLU A 57 6.145 -8.666 -17.176 1.00 0.00 C ATOM 920 OE1 GLU A 57 5.208 -9.412 -17.526 1.00 0.00 O ATOM 921 OE2 GLU A 57 7.161 -9.088 -16.589 1.00 0.00 O ATOM 0 H GLU A 57 9.296 -6.731 -17.265 1.00 0.00 H new ATOM 0 HA GLU A 57 8.311 -8.184 -18.629 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.453 -5.820 -19.091 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.114 -7.456 -19.621 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.588 -6.622 -16.740 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.014 -6.877 -17.467 1.00 0.00 H new ATOM 928 N GLY A 58 9.914 -6.683 -20.498 1.00 0.00 N ATOM 929 CA GLY A 58 10.530 -6.576 -21.806 1.00 0.00 C ATOM 930 C GLY A 58 10.496 -5.162 -22.348 1.00 0.00 C ATOM 931 O GLY A 58 10.787 -4.930 -23.523 1.00 0.00 O ATOM 0 H GLY A 58 10.536 -6.480 -19.716 1.00 0.00 H new ATOM 0 HA2 GLY A 58 11.565 -6.914 -21.746 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.017 -7.241 -22.501 1.00 0.00 H new ATOM 935 N ILE A 59 10.146 -4.215 -21.489 1.00 0.00 N ATOM 936 CA ILE A 59 10.037 -2.823 -21.881 1.00 0.00 C ATOM 937 C ILE A 59 11.102 -2.004 -21.169 1.00 0.00 C ATOM 938 O ILE A 59 11.137 -1.975 -19.943 1.00 0.00 O ATOM 939 CB ILE A 59 8.644 -2.261 -21.514 1.00 0.00 C ATOM 940 CG1 ILE A 59 7.547 -3.240 -21.947 1.00 0.00 C ATOM 941 CG2 ILE A 59 8.432 -0.898 -22.155 1.00 0.00 C ATOM 942 CD1 ILE A 59 6.159 -2.859 -21.479 1.00 0.00 C ATOM 0 H ILE A 59 9.931 -4.391 -20.508 1.00 0.00 H new ATOM 0 HA ILE A 59 10.176 -2.759 -22.960 1.00 0.00 H new ATOM 0 HB ILE A 59 8.591 -2.139 -20.432 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.546 -3.310 -23.035 1.00 0.00 H new ATOM 0 HG13 ILE A 59 7.788 -4.232 -21.564 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.446 -0.519 -21.885 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.196 -0.206 -21.801 1.00 0.00 H new ATOM 0 HG23 ILE A 59 8.501 -0.991 -23.239 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.441 -3.602 -21.827 1.00 0.00 H new ATOM 0 HD12 ILE A 59 6.141 -2.818 -20.390 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.894 -1.882 -21.883 1.00 0.00 H new ATOM 954 N PHE A 60 11.988 -1.373 -21.929 1.00 0.00 N ATOM 955 CA PHE A 60 12.978 -0.478 -21.339 1.00 0.00 C ATOM 956 C PHE A 60 12.302 0.781 -20.840 1.00 0.00 C ATOM 957 O PHE A 60 12.127 1.749 -21.580 1.00 0.00 O ATOM 958 CB PHE A 60 14.088 -0.121 -22.331 1.00 0.00 C ATOM 959 CG PHE A 60 15.165 -1.165 -22.457 1.00 0.00 C ATOM 960 CD1 PHE A 60 15.214 -2.249 -21.595 1.00 0.00 C ATOM 961 CD2 PHE A 60 16.135 -1.053 -23.441 1.00 0.00 C ATOM 962 CE1 PHE A 60 16.208 -3.203 -21.713 1.00 0.00 C ATOM 963 CE2 PHE A 60 17.132 -2.004 -23.564 1.00 0.00 C ATOM 964 CZ PHE A 60 17.168 -3.080 -22.699 1.00 0.00 C ATOM 0 H PHE A 60 12.043 -1.462 -22.944 1.00 0.00 H new ATOM 0 HA PHE A 60 13.441 -1.001 -20.502 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.643 0.045 -23.312 1.00 0.00 H new ATOM 0 HB3 PHE A 60 14.545 0.820 -22.024 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.467 -2.350 -20.822 1.00 0.00 H new ATOM 0 HD2 PHE A 60 16.112 -0.213 -24.120 1.00 0.00 H new ATOM 0 HE1 PHE A 60 16.234 -4.043 -21.035 1.00 0.00 H new ATOM 0 HE2 PHE A 60 17.881 -1.905 -24.335 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.945 -3.824 -22.793 1.00 0.00 H new ATOM 974 N ILE A 61 11.900 0.748 -19.585 1.00 0.00 N ATOM 975 CA ILE A 61 11.179 1.857 -18.998 1.00 0.00 C ATOM 976 C ILE A 61 12.140 2.983 -18.645 1.00 0.00 C ATOM 977 O ILE A 61 13.332 2.757 -18.404 1.00 0.00 O ATOM 978 CB ILE A 61 10.381 1.422 -17.749 1.00 0.00 C ATOM 979 CG1 ILE A 61 11.306 1.279 -16.530 1.00 0.00 C ATOM 980 CG2 ILE A 61 9.641 0.118 -18.030 1.00 0.00 C ATOM 981 CD1 ILE A 61 10.902 0.183 -15.563 1.00 0.00 C ATOM 0 H ILE A 61 12.061 -0.036 -18.953 1.00 0.00 H new ATOM 0 HA ILE A 61 10.464 2.216 -19.738 1.00 0.00 H new ATOM 0 HB ILE A 61 9.647 2.194 -17.518 1.00 0.00 H new ATOM 0 HG12 ILE A 61 12.320 1.083 -16.879 1.00 0.00 H new ATOM 0 HG13 ILE A 61 11.331 2.228 -15.995 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.081 -0.181 -17.144 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.952 0.263 -18.863 1.00 0.00 H new ATOM 0 HG23 ILE A 61 10.360 -0.661 -18.285 1.00 0.00 H new ATOM 0 HD11 ILE A 61 11.608 0.152 -14.733 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.902 0.386 -15.181 1.00 0.00 H new ATOM 0 HD13 ILE A 61 10.906 -0.777 -16.079 1.00 0.00 H new ATOM 993 N LYS A 62 11.623 4.194 -18.630 1.00 0.00 N ATOM 994 CA LYS A 62 12.440 5.365 -18.382 1.00 0.00 C ATOM 995 C LYS A 62 11.928 6.133 -17.173 1.00 0.00 C ATOM 996 O LYS A 62 10.779 5.965 -16.762 1.00 0.00 O ATOM 997 CB LYS A 62 12.461 6.245 -19.632 1.00 0.00 C ATOM 998 CG LYS A 62 11.087 6.686 -20.104 1.00 0.00 C ATOM 999 CD LYS A 62 11.028 6.742 -21.621 1.00 0.00 C ATOM 1000 CE LYS A 62 9.727 7.351 -22.110 1.00 0.00 C ATOM 1001 NZ LYS A 62 9.558 7.202 -23.579 1.00 0.00 N ATOM 0 H LYS A 62 10.635 4.394 -18.787 1.00 0.00 H new ATOM 0 HA LYS A 62 13.460 5.052 -18.159 1.00 0.00 H new ATOM 0 HB2 LYS A 62 13.065 7.130 -19.430 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.953 5.700 -20.438 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.331 5.995 -19.732 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.853 7.667 -19.690 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.867 7.327 -21.996 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.134 5.736 -22.027 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.890 6.875 -21.599 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.701 8.409 -21.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.657 7.632 -23.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.342 7.678 -24.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.556 6.192 -23.828 1.00 0.00 H new ATOM 1015 N ASP A 63 12.780 6.989 -16.622 1.00 0.00 N ATOM 1016 CA ASP A 63 12.469 7.718 -15.392 1.00 0.00 C ATOM 1017 C ASP A 63 11.419 8.797 -15.638 1.00 0.00 C ATOM 1018 O ASP A 63 10.997 9.486 -14.713 1.00 0.00 O ATOM 1019 CB ASP A 63 13.736 8.351 -14.807 1.00 0.00 C ATOM 1020 CG ASP A 63 14.296 9.459 -15.678 1.00 0.00 C ATOM 1021 OD1 ASP A 63 14.859 9.150 -16.749 1.00 0.00 O ATOM 1022 OD2 ASP A 63 14.171 10.641 -15.298 1.00 0.00 O ATOM 0 H ASP A 63 13.700 7.199 -17.009 1.00 0.00 H new ATOM 0 HA ASP A 63 12.064 7.001 -14.677 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.513 8.750 -13.818 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.495 7.580 -14.676 1.00 0.00 H new ATOM 1027 N SER A 64 11.007 8.939 -16.885 1.00 0.00 N ATOM 1028 CA SER A 64 9.966 9.885 -17.244 1.00 0.00 C ATOM 1029 C SER A 64 8.586 9.266 -17.026 1.00 0.00 C ATOM 1030 O SER A 64 7.562 9.921 -17.207 1.00 0.00 O ATOM 1031 CB SER A 64 10.134 10.298 -18.705 1.00 0.00 C ATOM 1032 OG SER A 64 11.485 10.641 -18.979 1.00 0.00 O ATOM 0 H SER A 64 11.381 8.407 -17.671 1.00 0.00 H new ATOM 0 HA SER A 64 10.051 10.767 -16.609 1.00 0.00 H new ATOM 0 HB2 SER A 64 9.822 9.482 -19.357 1.00 0.00 H new ATOM 0 HB3 SER A 64 9.487 11.147 -18.925 1.00 0.00 H new ATOM 0 HG SER A 64 11.572 10.901 -19.920 1.00 0.00 H new ATOM 1038 N ASN A 65 8.572 7.999 -16.621 1.00 0.00 N ATOM 1039 CA ASN A 65 7.333 7.262 -16.442 1.00 0.00 C ATOM 1040 C ASN A 65 7.188 6.810 -15.003 1.00 0.00 C ATOM 1041 O ASN A 65 8.107 6.965 -14.196 1.00 0.00 O ATOM 1042 CB ASN A 65 7.295 6.048 -17.367 1.00 0.00 C ATOM 1043 CG ASN A 65 7.276 6.428 -18.831 1.00 0.00 C ATOM 1044 OD1 ASN A 65 7.871 5.593 -19.660 1.00 0.00 O flip ATOM 1045 ND2 ASN A 65 6.736 7.462 -19.212 1.00 0.00 N flip ATOM 0 H ASN A 65 9.413 7.462 -16.410 1.00 0.00 H new ATOM 0 HA ASN A 65 6.505 7.925 -16.692 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.164 5.420 -17.171 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.412 5.451 -17.140 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.286 8.081 -18.537 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.737 7.702 -20.203 1.00 0.00 H new ATOM 1052 N SER A 66 6.052 6.215 -14.692 1.00 0.00 N ATOM 1053 CA SER A 66 5.747 5.840 -13.334 1.00 0.00 C ATOM 1054 C SER A 66 5.301 4.391 -13.279 1.00 0.00 C ATOM 1055 O SER A 66 5.071 3.764 -14.317 1.00 0.00 O ATOM 1056 CB SER A 66 4.664 6.762 -12.781 1.00 0.00 C ATOM 1057 OG SER A 66 3.472 6.672 -13.548 1.00 0.00 O ATOM 0 H SER A 66 5.325 5.982 -15.369 1.00 0.00 H new ATOM 0 HA SER A 66 6.642 5.943 -12.720 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.453 6.499 -11.744 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.023 7.791 -12.782 1.00 0.00 H new ATOM 0 HG SER A 66 2.794 7.271 -13.171 1.00 0.00 H new ATOM 1063 N LEU A 67 5.180 3.863 -12.075 1.00 0.00 N ATOM 1064 CA LEU A 67 4.761 2.487 -11.891 1.00 0.00 C ATOM 1065 C LEU A 67 3.306 2.323 -12.321 1.00 0.00 C ATOM 1066 O LEU A 67 2.953 1.360 -13.006 1.00 0.00 O ATOM 1067 CB LEU A 67 4.924 2.087 -10.426 1.00 0.00 C ATOM 1068 CG LEU A 67 6.240 2.533 -9.779 1.00 0.00 C ATOM 1069 CD1 LEU A 67 6.225 2.255 -8.287 1.00 0.00 C ATOM 1070 CD2 LEU A 67 7.431 1.854 -10.437 1.00 0.00 C ATOM 0 H LEU A 67 5.367 4.368 -11.209 1.00 0.00 H new ATOM 0 HA LEU A 67 5.385 1.839 -12.507 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.095 2.506 -9.856 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.848 1.002 -10.350 1.00 0.00 H new ATOM 0 HG LEU A 67 6.340 3.608 -9.929 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.168 2.579 -7.847 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.402 2.800 -7.824 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.094 1.186 -8.117 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.351 2.189 -9.958 1.00 0.00 H new ATOM 0 HD22 LEU A 67 7.339 0.773 -10.330 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.458 2.112 -11.496 1.00 0.00 H new ATOM 1082 N ALA A 68 2.472 3.278 -11.914 1.00 0.00 N ATOM 1083 CA ALA A 68 1.062 3.293 -12.292 1.00 0.00 C ATOM 1084 C ALA A 68 0.895 3.335 -13.804 1.00 0.00 C ATOM 1085 O ALA A 68 -0.006 2.702 -14.355 1.00 0.00 O ATOM 1086 CB ALA A 68 0.359 4.482 -11.656 1.00 0.00 C ATOM 0 H ALA A 68 2.752 4.057 -11.318 1.00 0.00 H new ATOM 0 HA ALA A 68 0.608 2.372 -11.927 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.692 4.481 -11.946 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.436 4.412 -10.571 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.828 5.406 -11.995 1.00 0.00 H new ATOM 1092 N TYR A 69 1.780 4.069 -14.469 1.00 0.00 N ATOM 1093 CA TYR A 69 1.742 4.194 -15.921 1.00 0.00 C ATOM 1094 C TYR A 69 1.866 2.824 -16.584 1.00 0.00 C ATOM 1095 O TYR A 69 1.100 2.484 -17.484 1.00 0.00 O ATOM 1096 CB TYR A 69 2.869 5.117 -16.396 1.00 0.00 C ATOM 1097 CG TYR A 69 2.930 5.287 -17.899 1.00 0.00 C ATOM 1098 CD1 TYR A 69 2.141 6.230 -18.543 1.00 0.00 C ATOM 1099 CD2 TYR A 69 3.775 4.499 -18.670 1.00 0.00 C ATOM 1100 CE1 TYR A 69 2.193 6.384 -19.916 1.00 0.00 C ATOM 1101 CE2 TYR A 69 3.833 4.646 -20.041 1.00 0.00 C ATOM 1102 CZ TYR A 69 3.039 5.589 -20.661 1.00 0.00 C ATOM 1103 OH TYR A 69 3.091 5.738 -22.029 1.00 0.00 O ATOM 0 H TYR A 69 2.536 4.589 -14.023 1.00 0.00 H new ATOM 0 HA TYR A 69 0.783 4.627 -16.207 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.742 6.096 -15.934 1.00 0.00 H new ATOM 0 HB3 TYR A 69 3.822 4.720 -16.046 1.00 0.00 H new ATOM 0 HD1 TYR A 69 1.476 6.853 -17.963 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.397 3.759 -18.189 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.574 7.123 -20.403 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.497 4.026 -20.626 1.00 0.00 H new ATOM 0 HH TYR A 69 3.737 5.103 -22.403 1.00 0.00 H new ATOM 1113 N TYR A 70 2.825 2.034 -16.120 1.00 0.00 N ATOM 1114 CA TYR A 70 3.056 0.708 -16.677 1.00 0.00 C ATOM 1115 C TYR A 70 2.131 -0.333 -16.059 1.00 0.00 C ATOM 1116 O TYR A 70 2.136 -1.492 -16.476 1.00 0.00 O ATOM 1117 CB TYR A 70 4.511 0.291 -16.475 1.00 0.00 C ATOM 1118 CG TYR A 70 5.479 1.010 -17.384 1.00 0.00 C ATOM 1119 CD1 TYR A 70 5.619 0.635 -18.715 1.00 0.00 C ATOM 1120 CD2 TYR A 70 6.258 2.054 -16.912 1.00 0.00 C ATOM 1121 CE1 TYR A 70 6.511 1.280 -19.549 1.00 0.00 C ATOM 1122 CE2 TYR A 70 7.149 2.707 -17.739 1.00 0.00 C ATOM 1123 CZ TYR A 70 7.272 2.316 -19.057 1.00 0.00 C ATOM 1124 OH TYR A 70 8.170 2.959 -19.878 1.00 0.00 O ATOM 0 H TYR A 70 3.455 2.288 -15.359 1.00 0.00 H new ATOM 0 HA TYR A 70 2.839 0.761 -17.744 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.793 0.477 -15.439 1.00 0.00 H new ATOM 0 HB3 TYR A 70 4.599 -0.783 -16.641 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.020 -0.175 -19.104 1.00 0.00 H new ATOM 0 HD2 TYR A 70 6.166 2.362 -15.881 1.00 0.00 H new ATOM 0 HE1 TYR A 70 6.611 0.974 -20.580 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.748 3.521 -17.357 1.00 0.00 H new ATOM 0 HH TYR A 70 8.247 3.898 -19.607 1.00 0.00 H new ATOM 1134 N ASN A 71 1.340 0.091 -15.073 1.00 0.00 N ATOM 1135 CA ASN A 71 0.415 -0.800 -14.364 1.00 0.00 C ATOM 1136 C ASN A 71 1.177 -1.858 -13.578 1.00 0.00 C ATOM 1137 O ASN A 71 0.783 -3.025 -13.549 1.00 0.00 O ATOM 1138 CB ASN A 71 -0.562 -1.488 -15.330 1.00 0.00 C ATOM 1139 CG ASN A 71 -1.704 -0.597 -15.798 1.00 0.00 C ATOM 1140 OD1 ASN A 71 -1.485 0.708 -15.845 1.00 0.00 O flip ATOM 1141 ND2 ASN A 71 -2.789 -1.087 -16.114 1.00 0.00 N flip ATOM 0 H ASN A 71 1.320 1.056 -14.743 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.158 -0.180 -13.674 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -0.008 -1.839 -16.201 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -0.979 -2.369 -14.842 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.926 -2.097 -16.067 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -3.551 -0.483 -16.423 1.00 0.00 H new ATOM 1148 N MET A 72 2.265 -1.446 -12.938 1.00 0.00 N ATOM 1149 CA MET A 72 3.068 -2.360 -12.133 1.00 0.00 C ATOM 1150 C MET A 72 2.312 -2.818 -10.890 1.00 0.00 C ATOM 1151 O MET A 72 2.415 -2.212 -9.825 1.00 0.00 O ATOM 1152 CB MET A 72 4.389 -1.711 -11.726 1.00 0.00 C ATOM 1153 CG MET A 72 5.302 -1.403 -12.896 1.00 0.00 C ATOM 1154 SD MET A 72 6.910 -0.793 -12.369 1.00 0.00 S ATOM 1155 CE MET A 72 7.743 -0.650 -13.945 1.00 0.00 C ATOM 0 H MET A 72 2.611 -0.487 -12.960 1.00 0.00 H new ATOM 0 HA MET A 72 3.279 -3.234 -12.749 1.00 0.00 H new ATOM 0 HB2 MET A 72 4.179 -0.787 -11.187 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.910 -2.372 -11.034 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.437 -2.304 -13.495 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.828 -0.661 -13.538 1.00 0.00 H new ATOM 0 HE1 MET A 72 8.735 -1.097 -13.874 1.00 0.00 H new ATOM 0 HE2 MET A 72 7.165 -1.169 -14.710 1.00 0.00 H new ATOM 0 HE3 MET A 72 7.837 0.402 -14.213 1.00 0.00 H new ATOM 1165 N ALA A 73 1.525 -3.872 -11.051 1.00 0.00 N ATOM 1166 CA ALA A 73 0.810 -4.476 -9.934 1.00 0.00 C ATOM 1167 C ALA A 73 1.769 -5.234 -9.020 1.00 0.00 C ATOM 1168 O ALA A 73 2.988 -5.204 -9.216 1.00 0.00 O ATOM 1169 CB ALA A 73 -0.281 -5.405 -10.448 1.00 0.00 C ATOM 0 H ALA A 73 1.364 -4.329 -11.949 1.00 0.00 H new ATOM 0 HA ALA A 73 0.347 -3.679 -9.352 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.808 -5.850 -9.604 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.985 -4.838 -11.057 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.167 -6.194 -11.052 1.00 0.00 H new ATOM 1175 N ASN A 74 1.220 -5.920 -8.026 1.00 0.00 N ATOM 1176 CA ASN A 74 2.039 -6.655 -7.071 1.00 0.00 C ATOM 1177 C ASN A 74 2.758 -7.800 -7.779 1.00 0.00 C ATOM 1178 O ASN A 74 2.126 -8.735 -8.272 1.00 0.00 O ATOM 1179 CB ASN A 74 1.167 -7.198 -5.934 1.00 0.00 C ATOM 1180 CG ASN A 74 1.972 -7.689 -4.741 1.00 0.00 C ATOM 1181 OD1 ASN A 74 3.110 -8.133 -4.873 1.00 0.00 O ATOM 1182 ND2 ASN A 74 1.378 -7.605 -3.560 1.00 0.00 N ATOM 0 H ASN A 74 0.216 -5.983 -7.860 1.00 0.00 H new ATOM 0 HA ASN A 74 2.782 -5.980 -6.646 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.483 -6.416 -5.605 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.556 -8.017 -6.313 1.00 0.00 H new ATOM 0 HD21 ASN A 74 1.867 -7.915 -2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.432 -7.230 -3.491 1.00 0.00 H new ATOM 1189 N GLY A 75 4.079 -7.724 -7.822 1.00 0.00 N ATOM 1190 CA GLY A 75 4.856 -8.738 -8.500 1.00 0.00 C ATOM 1191 C GLY A 75 5.428 -8.246 -9.814 1.00 0.00 C ATOM 1192 O GLY A 75 5.637 -9.031 -10.737 1.00 0.00 O ATOM 0 H GLY A 75 4.628 -6.976 -7.398 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.670 -9.062 -7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.228 -9.610 -8.684 1.00 0.00 H new ATOM 1196 N ALA A 76 5.689 -6.947 -9.905 1.00 0.00 N ATOM 1197 CA ALA A 76 6.277 -6.386 -11.112 1.00 0.00 C ATOM 1198 C ALA A 76 7.741 -6.787 -11.214 1.00 0.00 C ATOM 1199 O ALA A 76 8.563 -6.391 -10.385 1.00 0.00 O ATOM 1200 CB ALA A 76 6.132 -4.875 -11.120 1.00 0.00 C ATOM 0 H ALA A 76 5.505 -6.270 -9.165 1.00 0.00 H new ATOM 0 HA ALA A 76 5.748 -6.782 -11.978 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.577 -4.472 -12.030 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.075 -4.611 -11.085 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.640 -4.456 -10.251 1.00 0.00 H new ATOM 1206 N VAL A 77 8.061 -7.580 -12.225 1.00 0.00 N ATOM 1207 CA VAL A 77 9.417 -8.070 -12.404 1.00 0.00 C ATOM 1208 C VAL A 77 10.179 -7.189 -13.385 1.00 0.00 C ATOM 1209 O VAL A 77 9.969 -7.259 -14.598 1.00 0.00 O ATOM 1210 CB VAL A 77 9.439 -9.528 -12.911 1.00 0.00 C ATOM 1211 CG1 VAL A 77 10.866 -10.048 -13.010 1.00 0.00 C ATOM 1212 CG2 VAL A 77 8.605 -10.423 -12.005 1.00 0.00 C ATOM 0 H VAL A 77 7.399 -7.897 -12.934 1.00 0.00 H new ATOM 0 HA VAL A 77 9.899 -8.037 -11.427 1.00 0.00 H new ATOM 0 HB VAL A 77 9.002 -9.545 -13.910 1.00 0.00 H new ATOM 0 HG11 VAL A 77 10.854 -11.077 -13.369 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.432 -9.427 -13.705 1.00 0.00 H new ATOM 0 HG13 VAL A 77 11.335 -10.012 -12.027 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.633 -11.446 -12.379 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.010 -10.395 -10.993 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.574 -10.069 -11.993 1.00 0.00 H new ATOM 1222 N ILE A 78 11.048 -6.347 -12.855 1.00 0.00 N ATOM 1223 CA ILE A 78 11.880 -5.499 -13.687 1.00 0.00 C ATOM 1224 C ILE A 78 13.214 -6.185 -13.912 1.00 0.00 C ATOM 1225 O ILE A 78 13.653 -6.982 -13.093 1.00 0.00 O ATOM 1226 CB ILE A 78 12.130 -4.103 -13.061 1.00 0.00 C ATOM 1227 CG1 ILE A 78 10.861 -3.561 -12.396 1.00 0.00 C ATOM 1228 CG2 ILE A 78 12.625 -3.123 -14.116 1.00 0.00 C ATOM 1229 CD1 ILE A 78 9.632 -3.631 -13.266 1.00 0.00 C ATOM 0 H ILE A 78 11.195 -6.233 -11.852 1.00 0.00 H new ATOM 0 HA ILE A 78 11.350 -5.344 -14.627 1.00 0.00 H new ATOM 0 HB ILE A 78 12.898 -4.215 -12.296 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.676 -4.121 -11.479 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.030 -2.524 -12.107 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.795 -2.149 -13.657 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.558 -3.490 -14.544 1.00 0.00 H new ATOM 0 HG23 ILE A 78 11.877 -3.028 -14.903 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.778 -3.228 -12.722 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.794 -3.047 -14.172 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.435 -4.669 -13.534 1.00 0.00 H new ATOM 1241 N HIS A 79 13.827 -5.906 -15.038 1.00 0.00 N ATOM 1242 CA HIS A 79 15.114 -6.479 -15.382 1.00 0.00 C ATOM 1243 C HIS A 79 16.124 -5.361 -15.535 1.00 0.00 C ATOM 1244 O HIS A 79 15.963 -4.490 -16.387 1.00 0.00 O ATOM 1245 CB HIS A 79 15.029 -7.271 -16.696 1.00 0.00 C ATOM 1246 CG HIS A 79 14.012 -8.378 -16.707 1.00 0.00 C ATOM 1247 ND1 HIS A 79 12.715 -8.394 -16.322 1.00 0.00 N flip ATOM 1248 CD2 HIS A 79 14.275 -9.636 -17.198 1.00 0.00 C flip ATOM 1249 CE1 HIS A 79 12.222 -9.647 -16.583 1.00 0.00 C flip ATOM 1250 NE2 HIS A 79 13.186 -10.377 -17.112 1.00 0.00 N flip ATOM 0 H HIS A 79 13.450 -5.275 -15.745 1.00 0.00 H new ATOM 0 HA HIS A 79 15.419 -7.161 -14.588 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.799 -6.579 -17.506 1.00 0.00 H new ATOM 0 HB3 HIS A 79 16.009 -7.697 -16.910 1.00 0.00 H new ATOM 0 HD2 HIS A 79 15.225 -9.966 -17.592 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.213 -9.981 -16.388 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.103 -11.350 -17.405 1.00 0.00 H new ATOM 1259 N LEU A 80 17.142 -5.366 -14.705 1.00 0.00 N ATOM 1260 CA LEU A 80 18.179 -4.359 -14.796 1.00 0.00 C ATOM 1261 C LEU A 80 19.196 -4.767 -15.854 1.00 0.00 C ATOM 1262 O LEU A 80 19.629 -5.917 -15.898 1.00 0.00 O ATOM 1263 CB LEU A 80 18.872 -4.163 -13.448 1.00 0.00 C ATOM 1264 CG LEU A 80 20.107 -3.259 -13.483 1.00 0.00 C ATOM 1265 CD1 LEU A 80 19.744 -1.864 -13.953 1.00 0.00 C ATOM 1266 CD2 LEU A 80 20.770 -3.197 -12.123 1.00 0.00 C ATOM 0 H LEU A 80 17.276 -6.052 -13.962 1.00 0.00 H new ATOM 0 HA LEU A 80 17.720 -3.412 -15.080 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.153 -3.744 -12.744 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.165 -5.139 -13.061 1.00 0.00 H new ATOM 0 HG LEU A 80 20.814 -3.689 -14.193 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.638 -1.241 -13.969 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.320 -1.917 -14.956 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.012 -1.430 -13.272 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.645 -2.549 -12.174 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.066 -2.799 -11.393 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.078 -4.198 -11.822 1.00 0.00 H new ATOM 1278 N ALA A 81 19.567 -3.828 -16.703 1.00 0.00 N ATOM 1279 CA ALA A 81 20.494 -4.106 -17.781 1.00 0.00 C ATOM 1280 C ALA A 81 21.384 -2.902 -18.055 1.00 0.00 C ATOM 1281 O ALA A 81 20.965 -1.755 -17.884 1.00 0.00 O ATOM 1282 CB ALA A 81 19.721 -4.499 -19.027 1.00 0.00 C ATOM 0 H ALA A 81 19.239 -2.863 -16.666 1.00 0.00 H new ATOM 0 HA ALA A 81 21.139 -4.934 -17.487 1.00 0.00 H new ATOM 0 HB1 ALA A 81 20.419 -4.708 -19.838 1.00 0.00 H new ATOM 0 HB2 ALA A 81 19.127 -5.389 -18.821 1.00 0.00 H new ATOM 0 HB3 ALA A 81 19.061 -3.682 -19.318 1.00 0.00 H new ATOM 1288 N LEU A 82 22.618 -3.168 -18.459 1.00 0.00 N ATOM 1289 CA LEU A 82 23.557 -2.105 -18.778 1.00 0.00 C ATOM 1290 C LEU A 82 23.369 -1.637 -20.222 1.00 0.00 C ATOM 1291 O LEU A 82 23.373 -2.441 -21.157 1.00 0.00 O ATOM 1292 CB LEU A 82 24.992 -2.578 -18.545 1.00 0.00 C ATOM 1293 CG LEU A 82 26.061 -1.487 -18.625 1.00 0.00 C ATOM 1294 CD1 LEU A 82 25.714 -0.324 -17.708 1.00 0.00 C ATOM 1295 CD2 LEU A 82 27.417 -2.057 -18.255 1.00 0.00 C ATOM 0 H LEU A 82 22.991 -4.110 -18.573 1.00 0.00 H new ATOM 0 HA LEU A 82 23.361 -1.259 -18.119 1.00 0.00 H new ATOM 0 HB2 LEU A 82 25.048 -3.047 -17.562 1.00 0.00 H new ATOM 0 HB3 LEU A 82 25.227 -3.348 -19.279 1.00 0.00 H new ATOM 0 HG LEU A 82 26.099 -1.117 -19.650 1.00 0.00 H new ATOM 0 HD11 LEU A 82 26.488 0.440 -17.781 1.00 0.00 H new ATOM 0 HD12 LEU A 82 24.755 0.101 -18.006 1.00 0.00 H new ATOM 0 HD13 LEU A 82 25.650 -0.678 -16.679 1.00 0.00 H new ATOM 0 HD21 LEU A 82 28.171 -1.272 -18.315 1.00 0.00 H new ATOM 0 HD22 LEU A 82 27.382 -2.449 -17.238 1.00 0.00 H new ATOM 0 HD23 LEU A 82 27.674 -2.861 -18.945 1.00 0.00 H new