USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 799 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 51 THR OG1 : rot 89:sc= 1.32 USER MOD Set 1.2: A 52 HIS : no HD1:sc= 0.898 K(o=2.2,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ -102:sc= 0.0551 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 41:sc= 0.503 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0302) USER MOD Single : A 14 GLN : amide:sc= -5.86! C(o=-5.9!,f=-11!) USER MOD Single : A 16 CYS SG : rot 66:sc= 0.89 USER MOD Single : A 19 SER OG : rot 180:sc= -0.181 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -134:sc= -0.0989 (180deg=-1.48) USER MOD Single : A 29 HIS :FLIP no HD1:sc= -1.11 F(o=-2.4!,f=-1.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -148:sc= -1.61 (180deg=-3.24!) USER MOD Single : A 34 MET CE :methyl -143:sc= 0 (180deg=-0.535) USER MOD Single : A 35 THR OG1 : rot 85:sc= 0.0317 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.0369 F(o=-0.65,f=-0.037) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 104:sc= -1.65 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= -0.0633 (180deg=-0.317) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.118) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN :FLIP amide:sc= -1.69! C(o=-4.3!,f=-1.7!) USER MOD Single : A 82 SER OG : rot 172:sc= 0.0654 USER MOD Single : A 84 GLN : amide:sc= -0.163 K(o=-0.16,f=-1.2) USER MOD Single : A 85 MET CE :methyl -118:sc= -5.61! (180deg=-6.39!) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot -38:sc= 0.286 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -0.0615 X(o=-0.061,f=-0.061) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= -0.208 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.668 19.092 -10.820 1.00 0.00 N ATOM 2 CA GLY A 1 -16.451 20.312 -10.063 1.00 0.00 C ATOM 3 C GLY A 1 -14.986 20.695 -9.990 1.00 0.00 C ATOM 4 O GLY A 1 -14.107 19.851 -10.165 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.015 19.331 -11.771 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.773 18.569 -10.899 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.372 18.502 -10.333 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.014 21.125 -10.521 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.841 20.184 -9.053 1.00 0.00 H new ATOM 8 N SER A 2 -14.722 21.972 -9.732 1.00 0.00 N ATOM 9 CA SER A 2 -13.354 22.467 -9.641 1.00 0.00 C ATOM 10 C SER A 2 -13.032 22.918 -8.219 1.00 0.00 C ATOM 11 O SER A 2 -11.888 22.835 -7.773 1.00 0.00 O ATOM 12 CB SER A 2 -13.142 23.626 -10.616 1.00 0.00 C ATOM 13 OG SER A 2 -14.300 24.437 -10.703 1.00 0.00 O ATOM 0 H SER A 2 -15.438 22.683 -9.582 1.00 0.00 H new ATOM 0 HA SER A 2 -12.681 21.651 -9.906 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.295 24.230 -10.290 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.893 23.235 -11.602 1.00 0.00 H new ATOM 0 HG SER A 2 -14.138 25.172 -11.331 1.00 0.00 H new ATOM 19 N SER A 3 -14.051 23.397 -7.513 1.00 0.00 N ATOM 20 CA SER A 3 -13.878 23.867 -6.143 1.00 0.00 C ATOM 21 C SER A 3 -12.872 25.012 -6.084 1.00 0.00 C ATOM 22 O SER A 3 -11.940 24.993 -5.282 1.00 0.00 O ATOM 23 CB SER A 3 -13.416 22.719 -5.243 1.00 0.00 C ATOM 24 OG SER A 3 -14.521 22.020 -4.699 1.00 0.00 O ATOM 0 H SER A 3 -15.005 23.470 -7.867 1.00 0.00 H new ATOM 0 HA SER A 3 -14.840 24.234 -5.786 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.794 22.032 -5.816 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.797 23.112 -4.436 1.00 0.00 H new ATOM 0 HG SER A 3 -14.198 21.291 -4.129 1.00 0.00 H new ATOM 30 N GLY A 4 -13.069 26.009 -6.941 1.00 0.00 N ATOM 31 CA GLY A 4 -12.172 27.149 -6.972 1.00 0.00 C ATOM 32 C GLY A 4 -10.713 26.741 -6.902 1.00 0.00 C ATOM 33 O GLY A 4 -10.307 25.758 -7.520 1.00 0.00 O ATOM 0 H GLY A 4 -13.834 26.047 -7.615 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.344 27.718 -7.886 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.401 27.811 -6.137 1.00 0.00 H new ATOM 37 N SER A 5 -9.924 27.500 -6.148 1.00 0.00 N ATOM 38 CA SER A 5 -8.501 27.215 -6.004 1.00 0.00 C ATOM 39 C SER A 5 -8.202 26.621 -4.632 1.00 0.00 C ATOM 40 O SER A 5 -8.241 27.318 -3.619 1.00 0.00 O ATOM 41 CB SER A 5 -7.681 28.490 -6.210 1.00 0.00 C ATOM 42 OG SER A 5 -8.114 29.521 -5.340 1.00 0.00 O ATOM 0 H SER A 5 -10.246 28.316 -5.628 1.00 0.00 H new ATOM 0 HA SER A 5 -8.223 26.485 -6.765 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.626 28.280 -6.033 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.771 28.821 -7.245 1.00 0.00 H new ATOM 0 HG SER A 5 -8.295 29.146 -4.453 1.00 0.00 H new ATOM 48 N SER A 6 -7.902 25.326 -4.607 1.00 0.00 N ATOM 49 CA SER A 6 -7.600 24.634 -3.360 1.00 0.00 C ATOM 50 C SER A 6 -6.133 24.218 -3.311 1.00 0.00 C ATOM 51 O SER A 6 -5.394 24.610 -2.408 1.00 0.00 O ATOM 52 CB SER A 6 -8.496 23.404 -3.203 1.00 0.00 C ATOM 53 OG SER A 6 -8.672 23.072 -1.837 1.00 0.00 O ATOM 0 H SER A 6 -7.862 24.735 -5.437 1.00 0.00 H new ATOM 0 HA SER A 6 -7.793 25.322 -2.537 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.466 23.596 -3.662 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.055 22.559 -3.732 1.00 0.00 H new ATOM 0 HG SER A 6 -9.250 22.284 -1.764 1.00 0.00 H new ATOM 59 N GLY A 7 -5.718 23.420 -4.290 1.00 0.00 N ATOM 60 CA GLY A 7 -4.341 22.963 -4.341 1.00 0.00 C ATOM 61 C GLY A 7 -4.148 21.812 -5.308 1.00 0.00 C ATOM 62 O GLY A 7 -5.086 21.066 -5.592 1.00 0.00 O ATOM 0 H GLY A 7 -6.310 23.082 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.697 23.792 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.027 22.653 -3.344 1.00 0.00 H new ATOM 66 N PHE A 8 -2.929 21.667 -5.818 1.00 0.00 N ATOM 67 CA PHE A 8 -2.617 20.600 -6.761 1.00 0.00 C ATOM 68 C PHE A 8 -1.788 19.508 -6.092 1.00 0.00 C ATOM 69 O PHE A 8 -0.559 19.511 -6.166 1.00 0.00 O ATOM 70 CB PHE A 8 -1.861 21.162 -7.968 1.00 0.00 C ATOM 71 CG PHE A 8 -1.557 20.132 -9.017 1.00 0.00 C ATOM 72 CD1 PHE A 8 -2.581 19.448 -9.652 1.00 0.00 C ATOM 73 CD2 PHE A 8 -0.248 19.849 -9.370 1.00 0.00 C ATOM 74 CE1 PHE A 8 -2.304 18.499 -10.618 1.00 0.00 C ATOM 75 CE2 PHE A 8 0.036 18.901 -10.336 1.00 0.00 C ATOM 76 CZ PHE A 8 -0.994 18.226 -10.961 1.00 0.00 C ATOM 0 H PHE A 8 -2.141 22.275 -5.594 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.556 20.163 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.451 21.962 -8.416 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -0.927 21.608 -7.626 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.607 19.659 -9.389 1.00 0.00 H new ATOM 0 HD2 PHE A 8 0.561 20.375 -8.885 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -3.111 17.971 -11.104 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.061 18.689 -10.601 1.00 0.00 H new ATOM 0 HZ PHE A 8 -0.776 17.486 -11.717 1.00 0.00 H new ATOM 86 N LYS A 9 -2.470 18.574 -5.437 1.00 0.00 N ATOM 87 CA LYS A 9 -1.799 17.474 -4.754 1.00 0.00 C ATOM 88 C LYS A 9 -2.462 16.142 -5.088 1.00 0.00 C ATOM 89 O LYS A 9 -3.624 16.099 -5.492 1.00 0.00 O ATOM 90 CB LYS A 9 -1.817 17.700 -3.241 1.00 0.00 C ATOM 91 CG LYS A 9 -3.213 17.867 -2.667 1.00 0.00 C ATOM 92 CD LYS A 9 -3.645 19.324 -2.667 1.00 0.00 C ATOM 93 CE LYS A 9 -5.058 19.486 -2.128 1.00 0.00 C ATOM 94 NZ LYS A 9 -6.078 18.977 -3.086 1.00 0.00 N ATOM 0 H LYS A 9 -3.487 18.557 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.765 17.441 -5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.330 16.857 -2.751 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.229 18.588 -3.008 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.920 17.277 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.238 17.479 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.954 19.910 -2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.594 19.720 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.149 18.952 -1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -5.249 20.539 -1.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.029 19.212 -2.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.932 19.419 -4.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -5.987 17.945 -3.175 1.00 0.00 H new ATOM 108 N VAL A 10 -1.717 15.055 -4.914 1.00 0.00 N ATOM 109 CA VAL A 10 -2.234 13.721 -5.194 1.00 0.00 C ATOM 110 C VAL A 10 -1.904 12.755 -4.061 1.00 0.00 C ATOM 111 O VAL A 10 -0.795 12.740 -3.528 1.00 0.00 O ATOM 112 CB VAL A 10 -1.664 13.163 -6.512 1.00 0.00 C ATOM 113 CG1 VAL A 10 -2.195 11.762 -6.773 1.00 0.00 C ATOM 114 CG2 VAL A 10 -1.995 14.092 -7.670 1.00 0.00 C ATOM 0 H VAL A 10 -0.753 15.072 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.316 13.814 -5.285 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.579 13.103 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.781 11.385 -7.708 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.902 11.104 -5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.282 11.792 -6.843 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.585 13.683 -8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.077 14.186 -7.764 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.561 15.074 -7.484 1.00 0.00 H new ATOM 124 N PRO A 11 -2.890 11.926 -3.684 1.00 0.00 N ATOM 125 CA PRO A 11 -2.728 10.940 -2.612 1.00 0.00 C ATOM 126 C PRO A 11 -1.791 9.804 -3.006 1.00 0.00 C ATOM 127 O PRO A 11 -1.576 9.524 -4.185 1.00 0.00 O ATOM 128 CB PRO A 11 -4.149 10.412 -2.399 1.00 0.00 C ATOM 129 CG PRO A 11 -4.835 10.634 -3.702 1.00 0.00 C ATOM 130 CD PRO A 11 -4.237 11.888 -4.277 1.00 0.00 C ATOM 0 HA PRO A 11 -2.283 11.378 -1.719 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.143 9.356 -2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.652 10.944 -1.591 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.684 9.787 -4.372 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.911 10.743 -3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.196 11.851 -5.366 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.819 12.770 -4.010 1.00 0.00 H new ATOM 138 N PRO A 12 -1.218 9.132 -1.996 1.00 0.00 N ATOM 139 CA PRO A 12 -0.295 8.014 -2.213 1.00 0.00 C ATOM 140 C PRO A 12 -0.999 6.779 -2.765 1.00 0.00 C ATOM 141 O PRO A 12 -0.352 5.811 -3.165 1.00 0.00 O ATOM 142 CB PRO A 12 0.257 7.733 -0.813 1.00 0.00 C ATOM 143 CG PRO A 12 -0.797 8.228 0.116 1.00 0.00 C ATOM 144 CD PRO A 12 -1.428 9.411 -0.566 1.00 0.00 C ATOM 0 HA PRO A 12 0.472 8.256 -2.948 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.445 6.669 -0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.203 8.249 -0.649 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.537 7.453 0.316 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.368 8.514 1.076 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.488 9.496 -0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.956 10.347 -0.266 1.00 0.00 H new ATOM 152 N PHE A 13 -2.327 6.820 -2.785 1.00 0.00 N ATOM 153 CA PHE A 13 -3.119 5.704 -3.288 1.00 0.00 C ATOM 154 C PHE A 13 -4.060 6.162 -4.399 1.00 0.00 C ATOM 155 O PHE A 13 -5.025 5.474 -4.731 1.00 0.00 O ATOM 156 CB PHE A 13 -3.923 5.069 -2.152 1.00 0.00 C ATOM 157 CG PHE A 13 -3.068 4.523 -1.045 1.00 0.00 C ATOM 158 CD1 PHE A 13 -1.884 3.862 -1.327 1.00 0.00 C ATOM 159 CD2 PHE A 13 -3.449 4.670 0.279 1.00 0.00 C ATOM 160 CE1 PHE A 13 -1.095 3.359 -0.310 1.00 0.00 C ATOM 161 CE2 PHE A 13 -2.664 4.170 1.301 1.00 0.00 C ATOM 162 CZ PHE A 13 -1.486 3.512 1.005 1.00 0.00 C ATOM 0 H PHE A 13 -2.877 7.614 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.435 4.961 -3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -4.605 5.813 -1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.536 4.264 -2.557 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.574 3.738 -2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -4.370 5.181 0.515 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.173 2.847 -0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.971 4.294 2.329 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.872 3.118 1.801 1.00 0.00 H new ATOM 172 N GLN A 14 -3.771 7.328 -4.967 1.00 0.00 N ATOM 173 CA GLN A 14 -4.592 7.879 -6.039 1.00 0.00 C ATOM 174 C GLN A 14 -4.969 6.797 -7.047 1.00 0.00 C ATOM 175 O GLN A 14 -4.105 6.090 -7.566 1.00 0.00 O ATOM 176 CB GLN A 14 -3.850 9.014 -6.746 1.00 0.00 C ATOM 177 CG GLN A 14 -4.716 9.790 -7.726 1.00 0.00 C ATOM 178 CD GLN A 14 -5.555 10.855 -7.047 1.00 0.00 C ATOM 179 OE1 GLN A 14 -6.209 10.596 -6.036 1.00 0.00 O ATOM 180 NE2 GLN A 14 -5.541 12.062 -7.601 1.00 0.00 N ATOM 0 H GLN A 14 -2.975 7.909 -4.703 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.507 8.273 -5.596 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.457 9.702 -5.997 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.994 8.601 -7.279 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.079 10.258 -8.476 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.372 9.097 -8.253 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.985 12.232 -8.439 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.087 12.819 -7.189 1.00 0.00 H new ATOM 189 N ASP A 15 -6.263 6.674 -7.318 1.00 0.00 N ATOM 190 CA ASP A 15 -6.755 5.679 -8.264 1.00 0.00 C ATOM 191 C ASP A 15 -6.003 4.361 -8.107 1.00 0.00 C ATOM 192 O ASP A 15 -5.736 3.666 -9.088 1.00 0.00 O ATOM 193 CB ASP A 15 -6.612 6.193 -9.698 1.00 0.00 C ATOM 194 CG ASP A 15 -5.164 6.352 -10.115 1.00 0.00 C ATOM 195 OD1 ASP A 15 -4.577 7.416 -9.827 1.00 0.00 O ATOM 196 OD2 ASP A 15 -4.616 5.412 -10.730 1.00 0.00 O ATOM 0 H ASP A 15 -6.991 7.251 -6.896 1.00 0.00 H new ATOM 0 HA ASP A 15 -7.810 5.503 -8.052 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.109 5.503 -10.379 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.121 7.153 -9.789 1.00 0.00 H new ATOM 201 N CYS A 16 -5.663 4.025 -6.867 1.00 0.00 N ATOM 202 CA CYS A 16 -4.940 2.791 -6.581 1.00 0.00 C ATOM 203 C CYS A 16 -5.647 1.986 -5.495 1.00 0.00 C ATOM 204 O CYS A 16 -5.843 2.468 -4.379 1.00 0.00 O ATOM 205 CB CYS A 16 -3.507 3.104 -6.149 1.00 0.00 C ATOM 206 SG CYS A 16 -2.480 3.812 -7.458 1.00 0.00 S ATOM 0 H CYS A 16 -5.876 4.589 -6.045 1.00 0.00 H new ATOM 0 HA CYS A 16 -4.915 2.194 -7.492 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.535 3.798 -5.309 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.039 2.188 -5.790 1.00 0.00 H new ATOM 0 HG CYS A 16 -2.933 4.988 -7.776 1.00 0.00 H new ATOM 212 N ILE A 17 -6.029 0.758 -5.830 1.00 0.00 N ATOM 213 CA ILE A 17 -6.715 -0.113 -4.884 1.00 0.00 C ATOM 214 C ILE A 17 -5.743 -1.092 -4.234 1.00 0.00 C ATOM 215 O ILE A 17 -4.731 -1.467 -4.829 1.00 0.00 O ATOM 216 CB ILE A 17 -7.845 -0.907 -5.566 1.00 0.00 C ATOM 217 CG1 ILE A 17 -8.756 0.037 -6.354 1.00 0.00 C ATOM 218 CG2 ILE A 17 -8.645 -1.684 -4.532 1.00 0.00 C ATOM 219 CD1 ILE A 17 -9.593 -0.665 -7.400 1.00 0.00 C ATOM 0 H ILE A 17 -5.875 0.344 -6.749 1.00 0.00 H new ATOM 0 HA ILE A 17 -7.146 0.531 -4.118 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.401 -1.619 -6.262 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -9.417 0.555 -5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.145 0.798 -6.840 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.440 -2.240 -5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -7.987 -2.379 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.082 -0.990 -3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -10.214 0.065 -7.919 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -8.939 -1.160 -8.117 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.231 -1.406 -6.918 1.00 0.00 H new ATOM 231 N LEU A 18 -6.056 -1.504 -3.011 1.00 0.00 N ATOM 232 CA LEU A 18 -5.212 -2.441 -2.279 1.00 0.00 C ATOM 233 C LEU A 18 -6.053 -3.354 -1.392 1.00 0.00 C ATOM 234 O LEU A 18 -7.176 -3.014 -1.023 1.00 0.00 O ATOM 235 CB LEU A 18 -4.192 -1.683 -1.428 1.00 0.00 C ATOM 236 CG LEU A 18 -3.607 -0.415 -2.052 1.00 0.00 C ATOM 237 CD1 LEU A 18 -4.454 0.796 -1.694 1.00 0.00 C ATOM 238 CD2 LEU A 18 -2.168 -0.214 -1.601 1.00 0.00 C ATOM 0 H LEU A 18 -6.889 -1.204 -2.505 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.683 -3.058 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.665 -1.414 -0.483 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.371 -2.360 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.614 -0.530 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.022 1.689 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.468 0.654 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.480 0.915 -0.611 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.768 0.693 -2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.137 -0.121 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.567 -1.070 -1.909 1.00 0.00 H new ATOM 250 N SER A 19 -5.500 -4.514 -1.053 1.00 0.00 N ATOM 251 CA SER A 19 -6.199 -5.477 -0.211 1.00 0.00 C ATOM 252 C SER A 19 -5.287 -5.992 0.899 1.00 0.00 C ATOM 253 O SER A 19 -4.062 -5.938 0.786 1.00 0.00 O ATOM 254 CB SER A 19 -6.708 -6.649 -1.053 1.00 0.00 C ATOM 255 OG SER A 19 -5.783 -6.983 -2.073 1.00 0.00 O ATOM 0 H SER A 19 -4.570 -4.810 -1.349 1.00 0.00 H new ATOM 0 HA SER A 19 -7.049 -4.971 0.246 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.877 -7.515 -0.413 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.668 -6.391 -1.499 1.00 0.00 H new ATOM 0 HG SER A 19 -6.130 -7.736 -2.596 1.00 0.00 H new ATOM 261 N PHE A 20 -5.894 -6.491 1.971 1.00 0.00 N ATOM 262 CA PHE A 20 -5.138 -7.015 3.102 1.00 0.00 C ATOM 263 C PHE A 20 -5.569 -8.442 3.430 1.00 0.00 C ATOM 264 O PHE A 20 -6.725 -8.689 3.777 1.00 0.00 O ATOM 265 CB PHE A 20 -5.326 -6.119 4.328 1.00 0.00 C ATOM 266 CG PHE A 20 -5.163 -4.656 4.031 1.00 0.00 C ATOM 267 CD1 PHE A 20 -3.940 -4.151 3.620 1.00 0.00 C ATOM 268 CD2 PHE A 20 -6.233 -3.785 4.163 1.00 0.00 C ATOM 269 CE1 PHE A 20 -3.786 -2.805 3.346 1.00 0.00 C ATOM 270 CE2 PHE A 20 -6.086 -2.438 3.890 1.00 0.00 C ATOM 271 CZ PHE A 20 -4.861 -1.947 3.482 1.00 0.00 C ATOM 0 H PHE A 20 -6.907 -6.543 2.080 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.083 -7.027 2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.319 -6.289 4.743 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.606 -6.409 5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.097 -4.817 3.512 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.193 -4.163 4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.827 -2.424 3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.928 -1.770 3.996 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.743 -0.895 3.270 1.00 0.00 H new ATOM 281 N LEU A 21 -4.632 -9.377 3.318 1.00 0.00 N ATOM 282 CA LEU A 21 -4.914 -10.780 3.602 1.00 0.00 C ATOM 283 C LEU A 21 -3.984 -11.313 4.688 1.00 0.00 C ATOM 284 O LEU A 21 -2.763 -11.265 4.552 1.00 0.00 O ATOM 285 CB LEU A 21 -4.765 -11.618 2.331 1.00 0.00 C ATOM 286 CG LEU A 21 -4.761 -13.135 2.524 1.00 0.00 C ATOM 287 CD1 LEU A 21 -6.170 -13.643 2.785 1.00 0.00 C ATOM 288 CD2 LEU A 21 -4.159 -13.825 1.308 1.00 0.00 C ATOM 0 H LEU A 21 -3.671 -9.189 3.033 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.941 -10.854 3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.578 -11.360 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.836 -11.332 1.838 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.146 -13.371 3.392 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.148 -14.724 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.565 -13.173 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.809 -13.396 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.164 -14.904 1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.748 -13.582 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.134 -13.483 1.166 1.00 0.00 H new ATOM 300 N GLY A 22 -4.573 -11.823 5.765 1.00 0.00 N ATOM 301 CA GLY A 22 -3.783 -12.360 6.858 1.00 0.00 C ATOM 302 C GLY A 22 -4.066 -11.663 8.174 1.00 0.00 C ATOM 303 O GLY A 22 -4.364 -12.313 9.177 1.00 0.00 O ATOM 0 H GLY A 22 -5.583 -11.874 5.900 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.990 -13.425 6.963 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.724 -12.263 6.619 1.00 0.00 H new ATOM 307 N PHE A 23 -3.971 -10.338 8.173 1.00 0.00 N ATOM 308 CA PHE A 23 -4.216 -9.553 9.377 1.00 0.00 C ATOM 309 C PHE A 23 -5.571 -9.900 9.987 1.00 0.00 C ATOM 310 O PHE A 23 -6.395 -10.563 9.357 1.00 0.00 O ATOM 311 CB PHE A 23 -4.156 -8.058 9.058 1.00 0.00 C ATOM 312 CG PHE A 23 -3.023 -7.685 8.145 1.00 0.00 C ATOM 313 CD1 PHE A 23 -1.775 -7.371 8.660 1.00 0.00 C ATOM 314 CD2 PHE A 23 -3.205 -7.649 6.772 1.00 0.00 C ATOM 315 CE1 PHE A 23 -0.731 -7.026 7.823 1.00 0.00 C ATOM 316 CE2 PHE A 23 -2.164 -7.306 5.929 1.00 0.00 C ATOM 317 CZ PHE A 23 -0.926 -6.995 6.455 1.00 0.00 C ATOM 0 H PHE A 23 -3.726 -9.785 7.352 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.439 -9.794 10.102 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -5.097 -7.754 8.599 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.061 -7.499 9.989 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.617 -7.396 9.728 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -4.171 -7.892 6.355 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.236 -6.781 8.237 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.319 -7.281 4.860 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.111 -6.728 5.799 1.00 0.00 H new ATOM 327 N SER A 24 -5.794 -9.448 11.216 1.00 0.00 N ATOM 328 CA SER A 24 -7.046 -9.714 11.914 1.00 0.00 C ATOM 329 C SER A 24 -8.071 -8.620 11.627 1.00 0.00 C ATOM 330 O SER A 24 -7.724 -7.444 11.514 1.00 0.00 O ATOM 331 CB SER A 24 -6.803 -9.818 13.421 1.00 0.00 C ATOM 332 OG SER A 24 -8.027 -9.906 14.129 1.00 0.00 O ATOM 0 H SER A 24 -5.123 -8.895 11.750 1.00 0.00 H new ATOM 0 HA SER A 24 -7.441 -10.663 11.551 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.192 -10.695 13.634 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.243 -8.948 13.763 1.00 0.00 H new ATOM 0 HG SER A 24 -7.845 -9.973 15.090 1.00 0.00 H new ATOM 338 N ASP A 25 -9.333 -9.017 11.510 1.00 0.00 N ATOM 339 CA ASP A 25 -10.409 -8.071 11.237 1.00 0.00 C ATOM 340 C ASP A 25 -10.148 -6.736 11.927 1.00 0.00 C ATOM 341 O ASP A 25 -10.487 -5.678 11.399 1.00 0.00 O ATOM 342 CB ASP A 25 -11.750 -8.645 11.699 1.00 0.00 C ATOM 343 CG ASP A 25 -12.926 -7.797 11.255 1.00 0.00 C ATOM 344 OD1 ASP A 25 -13.182 -7.729 10.035 1.00 0.00 O ATOM 345 OD2 ASP A 25 -13.591 -7.203 12.129 1.00 0.00 O ATOM 0 H ASP A 25 -9.636 -9.987 11.600 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.446 -7.901 10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -11.865 -9.655 11.305 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.753 -8.724 12.786 1.00 0.00 H new ATOM 350 N GLU A 26 -9.545 -6.796 13.110 1.00 0.00 N ATOM 351 CA GLU A 26 -9.240 -5.591 13.873 1.00 0.00 C ATOM 352 C GLU A 26 -8.162 -4.765 13.178 1.00 0.00 C ATOM 353 O GLU A 26 -8.382 -3.605 12.831 1.00 0.00 O ATOM 354 CB GLU A 26 -8.785 -5.957 15.287 1.00 0.00 C ATOM 355 CG GLU A 26 -9.133 -4.907 16.329 1.00 0.00 C ATOM 356 CD GLU A 26 -8.141 -4.872 17.476 1.00 0.00 C ATOM 357 OE1 GLU A 26 -7.878 -5.941 18.064 1.00 0.00 O ATOM 358 OE2 GLU A 26 -7.629 -3.776 17.784 1.00 0.00 O ATOM 0 H GLU A 26 -9.258 -7.665 13.561 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.149 -4.992 13.935 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.241 -6.905 15.572 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.706 -6.110 15.284 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.168 -3.927 15.854 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.130 -5.107 16.722 1.00 0.00 H new ATOM 365 N GLU A 27 -6.996 -5.372 12.979 1.00 0.00 N ATOM 366 CA GLU A 27 -5.883 -4.692 12.327 1.00 0.00 C ATOM 367 C GLU A 27 -6.278 -4.217 10.931 1.00 0.00 C ATOM 368 O GLU A 27 -6.028 -3.071 10.559 1.00 0.00 O ATOM 369 CB GLU A 27 -4.670 -5.621 12.238 1.00 0.00 C ATOM 370 CG GLU A 27 -3.746 -5.532 13.440 1.00 0.00 C ATOM 371 CD GLU A 27 -3.182 -4.138 13.641 1.00 0.00 C ATOM 372 OE1 GLU A 27 -3.845 -3.322 14.316 1.00 0.00 O ATOM 373 OE2 GLU A 27 -2.080 -3.863 13.124 1.00 0.00 O ATOM 0 H GLU A 27 -6.798 -6.332 13.260 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.621 -3.821 12.928 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.017 -6.649 12.133 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.105 -5.381 11.337 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.291 -5.832 14.335 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.925 -6.238 13.315 1.00 0.00 H new ATOM 380 N LYS A 28 -6.895 -5.108 10.163 1.00 0.00 N ATOM 381 CA LYS A 28 -7.326 -4.783 8.808 1.00 0.00 C ATOM 382 C LYS A 28 -8.230 -3.555 8.805 1.00 0.00 C ATOM 383 O LYS A 28 -7.969 -2.617 8.054 1.00 0.00 O ATOM 384 CB LYS A 28 -8.060 -5.973 8.185 1.00 0.00 C ATOM 385 CG LYS A 28 -8.205 -5.875 6.676 1.00 0.00 C ATOM 386 CD LYS A 28 -8.383 -7.245 6.044 1.00 0.00 C ATOM 387 CE LYS A 28 -9.820 -7.730 6.159 1.00 0.00 C ATOM 388 NZ LYS A 28 -10.112 -8.282 7.511 1.00 0.00 N ATOM 0 H LYS A 28 -7.108 -6.062 10.456 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.439 -4.560 8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.524 -6.889 8.431 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.051 -6.053 8.633 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.061 -5.246 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.324 -5.391 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.095 -7.202 4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.717 -7.959 6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.500 -6.904 5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.006 -8.496 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.621 -9.184 7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.220 -8.440 8.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.699 -7.608 8.042 1.00 0.00 H new ATOM 402 N HIS A 29 -9.262 -3.586 9.635 1.00 0.00 N ATOM 403 CA HIS A 29 -10.190 -2.471 9.718 1.00 0.00 C ATOM 404 C HIS A 29 -9.417 -1.153 9.634 1.00 0.00 C ATOM 405 O HIS A 29 -9.626 -0.330 8.742 1.00 0.00 O ATOM 406 CB HIS A 29 -11.052 -2.573 10.978 1.00 0.00 C ATOM 407 CG HIS A 29 -11.917 -1.362 11.231 1.00 0.00 C ATOM 408 ND1 HIS A 29 -11.621 -0.031 11.189 1.00 0.00 N flip ATOM 409 CD2 HIS A 29 -13.255 -1.454 11.572 1.00 0.00 C flip ATOM 410 CE1 HIS A 29 -12.719 0.652 11.487 1.00 0.00 C flip ATOM 411 NE2 HIS A 29 -13.733 -0.228 11.725 1.00 0.00 N flip ATOM 0 H HIS A 29 -9.476 -4.366 10.256 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.879 -2.503 8.874 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -11.691 -3.453 10.898 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -10.402 -2.728 11.839 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -13.815 -2.370 11.693 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.797 1.728 11.533 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -14.691 0.015 11.977 1.00 0.00 H new ATOM 419 N SER A 30 -8.512 -0.971 10.590 1.00 0.00 N ATOM 420 CA SER A 30 -7.697 0.237 10.649 1.00 0.00 C ATOM 421 C SER A 30 -7.077 0.542 9.289 1.00 0.00 C ATOM 422 O SER A 30 -7.077 1.687 8.838 1.00 0.00 O ATOM 423 CB SER A 30 -6.596 0.082 11.700 1.00 0.00 C ATOM 424 OG SER A 30 -7.105 0.290 13.007 1.00 0.00 O ATOM 0 H SER A 30 -8.325 -1.644 11.334 1.00 0.00 H new ATOM 0 HA SER A 30 -8.344 1.069 10.928 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.160 -0.915 11.630 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.796 0.794 11.500 1.00 0.00 H new ATOM 0 HG SER A 30 -6.382 0.184 13.660 1.00 0.00 H new ATOM 430 N MET A 31 -6.551 -0.492 8.640 1.00 0.00 N ATOM 431 CA MET A 31 -5.930 -0.335 7.330 1.00 0.00 C ATOM 432 C MET A 31 -6.936 0.188 6.310 1.00 0.00 C ATOM 433 O MET A 31 -6.775 1.282 5.772 1.00 0.00 O ATOM 434 CB MET A 31 -5.349 -1.668 6.855 1.00 0.00 C ATOM 435 CG MET A 31 -4.339 -2.270 7.819 1.00 0.00 C ATOM 436 SD MET A 31 -3.941 -3.984 7.426 1.00 0.00 S ATOM 437 CE MET A 31 -2.362 -3.784 6.605 1.00 0.00 C ATOM 0 H MET A 31 -6.542 -1.446 9.000 1.00 0.00 H new ATOM 0 HA MET A 31 -5.123 0.392 7.423 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.163 -2.377 6.706 1.00 0.00 H new ATOM 0 HB3 MET A 31 -4.872 -1.522 5.886 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.426 -1.675 7.800 1.00 0.00 H new ATOM 0 HG3 MET A 31 -4.734 -2.216 8.834 1.00 0.00 H new ATOM 0 HE1 MET A 31 -2.248 -4.555 5.843 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.318 -2.801 6.136 1.00 0.00 H new ATOM 0 HE3 MET A 31 -1.558 -3.874 7.336 1.00 0.00 H new ATOM 447 N GLU A 32 -7.972 -0.603 6.049 1.00 0.00 N ATOM 448 CA GLU A 32 -9.003 -0.219 5.092 1.00 0.00 C ATOM 449 C GLU A 32 -9.341 1.264 5.222 1.00 0.00 C ATOM 450 O GLU A 32 -9.178 2.033 4.275 1.00 0.00 O ATOM 451 CB GLU A 32 -10.264 -1.060 5.301 1.00 0.00 C ATOM 452 CG GLU A 32 -10.142 -2.480 4.774 1.00 0.00 C ATOM 453 CD GLU A 32 -11.184 -3.412 5.362 1.00 0.00 C ATOM 454 OE1 GLU A 32 -11.482 -3.282 6.568 1.00 0.00 O ATOM 455 OE2 GLU A 32 -11.701 -4.270 4.617 1.00 0.00 O ATOM 0 H GLU A 32 -8.119 -1.513 6.486 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.616 -0.400 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.495 -1.095 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.104 -0.569 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.240 -2.470 3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.147 -2.864 5.001 1.00 0.00 H new ATOM 462 N GLU A 33 -9.813 1.656 6.401 1.00 0.00 N ATOM 463 CA GLU A 33 -10.175 3.046 6.654 1.00 0.00 C ATOM 464 C GLU A 33 -9.034 3.984 6.270 1.00 0.00 C ATOM 465 O GLU A 33 -9.240 4.974 5.568 1.00 0.00 O ATOM 466 CB GLU A 33 -10.536 3.242 8.128 1.00 0.00 C ATOM 467 CG GLU A 33 -11.908 2.700 8.495 1.00 0.00 C ATOM 468 CD GLU A 33 -13.024 3.678 8.184 1.00 0.00 C ATOM 469 OE1 GLU A 33 -12.891 4.865 8.551 1.00 0.00 O ATOM 470 OE2 GLU A 33 -14.029 3.258 7.574 1.00 0.00 O ATOM 0 H GLU A 33 -9.954 1.032 7.195 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.043 3.286 6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.784 2.752 8.746 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -10.499 4.305 8.364 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.084 1.770 7.954 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.927 2.459 9.558 1.00 0.00 H new ATOM 477 N MET A 34 -7.831 3.665 6.736 1.00 0.00 N ATOM 478 CA MET A 34 -6.657 4.478 6.441 1.00 0.00 C ATOM 479 C MET A 34 -6.519 4.710 4.940 1.00 0.00 C ATOM 480 O MET A 34 -6.369 5.845 4.487 1.00 0.00 O ATOM 481 CB MET A 34 -5.394 3.805 6.983 1.00 0.00 C ATOM 482 CG MET A 34 -4.182 4.721 7.012 1.00 0.00 C ATOM 483 SD MET A 34 -4.124 5.749 8.492 1.00 0.00 S ATOM 484 CE MET A 34 -3.090 4.749 9.559 1.00 0.00 C ATOM 0 H MET A 34 -7.644 2.849 7.319 1.00 0.00 H new ATOM 0 HA MET A 34 -6.784 5.444 6.930 1.00 0.00 H new ATOM 0 HB2 MET A 34 -5.590 3.443 7.992 1.00 0.00 H new ATOM 0 HB3 MET A 34 -5.165 2.933 6.370 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.275 4.119 6.957 1.00 0.00 H new ATOM 0 HG3 MET A 34 -4.194 5.361 6.130 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.447 4.824 10.586 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.132 3.709 9.236 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.061 5.104 9.506 1.00 0.00 H new ATOM 494 N THR A 35 -6.571 3.626 4.171 1.00 0.00 N ATOM 495 CA THR A 35 -6.450 3.712 2.721 1.00 0.00 C ATOM 496 C THR A 35 -7.311 4.840 2.163 1.00 0.00 C ATOM 497 O THR A 35 -6.875 5.591 1.291 1.00 0.00 O ATOM 498 CB THR A 35 -6.857 2.389 2.044 1.00 0.00 C ATOM 499 OG1 THR A 35 -6.289 1.281 2.753 1.00 0.00 O ATOM 500 CG2 THR A 35 -6.399 2.359 0.594 1.00 0.00 C ATOM 0 H THR A 35 -6.696 2.679 4.529 1.00 0.00 H new ATOM 0 HA THR A 35 -5.402 3.916 2.503 1.00 0.00 H new ATOM 0 HB THR A 35 -7.944 2.315 2.066 1.00 0.00 H new ATOM 0 HG1 THR A 35 -6.872 1.039 3.503 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.698 1.415 0.137 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.856 3.186 0.051 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.314 2.454 0.553 1.00 0.00 H new ATOM 508 N GLU A 36 -8.533 4.953 2.673 1.00 0.00 N ATOM 509 CA GLU A 36 -9.454 5.991 2.224 1.00 0.00 C ATOM 510 C GLU A 36 -9.008 7.364 2.717 1.00 0.00 C ATOM 511 O GLU A 36 -9.101 8.356 1.994 1.00 0.00 O ATOM 512 CB GLU A 36 -10.871 5.695 2.718 1.00 0.00 C ATOM 513 CG GLU A 36 -11.657 4.775 1.799 1.00 0.00 C ATOM 514 CD GLU A 36 -13.092 4.585 2.251 1.00 0.00 C ATOM 515 OE1 GLU A 36 -13.319 4.476 3.474 1.00 0.00 O ATOM 516 OE2 GLU A 36 -13.988 4.546 1.382 1.00 0.00 O ATOM 0 H GLU A 36 -8.908 4.340 3.396 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.451 5.997 1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.814 5.243 3.708 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.412 6.635 2.827 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.650 5.184 0.789 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.163 3.804 1.754 1.00 0.00 H new ATOM 523 N MET A 37 -8.523 7.414 3.954 1.00 0.00 N ATOM 524 CA MET A 37 -8.062 8.665 4.544 1.00 0.00 C ATOM 525 C MET A 37 -7.000 9.321 3.667 1.00 0.00 C ATOM 526 O MET A 37 -7.078 10.512 3.369 1.00 0.00 O ATOM 527 CB MET A 37 -7.501 8.416 5.945 1.00 0.00 C ATOM 528 CG MET A 37 -8.489 7.746 6.886 1.00 0.00 C ATOM 529 SD MET A 37 -9.510 8.933 7.781 1.00 0.00 S ATOM 530 CE MET A 37 -9.428 8.266 9.441 1.00 0.00 C ATOM 0 H MET A 37 -8.439 6.603 4.567 1.00 0.00 H new ATOM 0 HA MET A 37 -8.915 9.340 4.617 1.00 0.00 H new ATOM 0 HB2 MET A 37 -6.609 7.794 5.865 1.00 0.00 H new ATOM 0 HB3 MET A 37 -7.189 9.367 6.377 1.00 0.00 H new ATOM 0 HG2 MET A 37 -9.133 7.077 6.315 1.00 0.00 H new ATOM 0 HG3 MET A 37 -7.943 7.130 7.601 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.013 8.893 10.114 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.831 7.253 9.446 1.00 0.00 H new ATOM 0 HE3 MET A 37 -8.390 8.245 9.774 1.00 0.00 H new ATOM 540 N GLN A 38 -6.009 8.535 3.259 1.00 0.00 N ATOM 541 CA GLN A 38 -4.931 9.041 2.417 1.00 0.00 C ATOM 542 C GLN A 38 -5.469 9.519 1.072 1.00 0.00 C ATOM 543 O GLN A 38 -5.168 10.627 0.630 1.00 0.00 O ATOM 544 CB GLN A 38 -3.873 7.958 2.200 1.00 0.00 C ATOM 545 CG GLN A 38 -3.319 7.381 3.493 1.00 0.00 C ATOM 546 CD GLN A 38 -2.760 8.446 4.416 1.00 0.00 C ATOM 547 OE1 GLN A 38 -2.939 8.256 5.717 1.00 0.00 O flip ATOM 548 NE2 GLN A 38 -2.174 9.430 3.963 1.00 0.00 N flip ATOM 0 H GLN A 38 -5.930 7.546 3.497 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.474 9.889 2.927 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.306 7.152 1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.052 8.375 1.617 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.108 6.835 4.010 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.535 6.661 3.258 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.059 9.536 2.955 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.804 10.139 4.596 1.00 0.00 H new ATOM 557 N GLY A 39 -6.267 8.675 0.426 1.00 0.00 N ATOM 558 CA GLY A 39 -6.834 9.030 -0.862 1.00 0.00 C ATOM 559 C GLY A 39 -6.879 7.855 -1.819 1.00 0.00 C ATOM 560 O GLY A 39 -6.591 8.001 -3.006 1.00 0.00 O ATOM 0 H GLY A 39 -6.531 7.752 0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.843 9.416 -0.717 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.246 9.834 -1.305 1.00 0.00 H new ATOM 564 N GLY A 40 -7.239 6.684 -1.301 1.00 0.00 N ATOM 565 CA GLY A 40 -7.311 5.496 -2.131 1.00 0.00 C ATOM 566 C GLY A 40 -8.511 4.631 -1.801 1.00 0.00 C ATOM 567 O GLY A 40 -9.334 4.993 -0.961 1.00 0.00 O ATOM 0 H GLY A 40 -7.482 6.537 -0.321 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.357 5.791 -3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.400 4.912 -2.004 1.00 0.00 H new ATOM 571 N SER A 41 -8.612 3.484 -2.465 1.00 0.00 N ATOM 572 CA SER A 41 -9.724 2.567 -2.242 1.00 0.00 C ATOM 573 C SER A 41 -9.217 1.192 -1.819 1.00 0.00 C ATOM 574 O SER A 41 -8.021 0.909 -1.893 1.00 0.00 O ATOM 575 CB SER A 41 -10.572 2.442 -3.510 1.00 0.00 C ATOM 576 OG SER A 41 -11.435 3.557 -3.657 1.00 0.00 O ATOM 0 H SER A 41 -7.938 3.168 -3.162 1.00 0.00 H new ATOM 0 HA SER A 41 -10.341 2.971 -1.439 1.00 0.00 H new ATOM 0 HB2 SER A 41 -9.921 2.364 -4.381 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.160 1.525 -3.469 1.00 0.00 H new ATOM 0 HG SER A 41 -11.965 3.455 -4.475 1.00 0.00 H new ATOM 582 N TYR A 42 -10.135 0.340 -1.376 1.00 0.00 N ATOM 583 CA TYR A 42 -9.782 -1.005 -0.938 1.00 0.00 C ATOM 584 C TYR A 42 -10.841 -2.014 -1.372 1.00 0.00 C ATOM 585 O TYR A 42 -12.036 -1.811 -1.155 1.00 0.00 O ATOM 586 CB TYR A 42 -9.619 -1.043 0.583 1.00 0.00 C ATOM 587 CG TYR A 42 -10.841 -0.567 1.335 1.00 0.00 C ATOM 588 CD1 TYR A 42 -11.898 -1.429 1.600 1.00 0.00 C ATOM 589 CD2 TYR A 42 -10.939 0.745 1.782 1.00 0.00 C ATOM 590 CE1 TYR A 42 -13.017 -0.999 2.286 1.00 0.00 C ATOM 591 CE2 TYR A 42 -12.053 1.184 2.470 1.00 0.00 C ATOM 592 CZ TYR A 42 -13.090 0.309 2.719 1.00 0.00 C ATOM 593 OH TYR A 42 -14.202 0.741 3.405 1.00 0.00 O ATOM 0 H TYR A 42 -11.129 0.557 -1.311 1.00 0.00 H new ATOM 0 HA TYR A 42 -8.835 -1.275 -1.405 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -9.388 -2.063 0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.766 -0.425 0.864 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -11.844 -2.454 1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -10.130 1.433 1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -13.830 -1.682 2.482 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -12.112 2.207 2.811 1.00 0.00 H new ATOM 0 HH TYR A 42 -14.095 1.686 3.640 1.00 0.00 H new ATOM 603 N LEU A 43 -10.393 -3.104 -1.986 1.00 0.00 N ATOM 604 CA LEU A 43 -11.300 -4.147 -2.451 1.00 0.00 C ATOM 605 C LEU A 43 -11.022 -5.467 -1.739 1.00 0.00 C ATOM 606 O LEU A 43 -9.921 -5.716 -1.247 1.00 0.00 O ATOM 607 CB LEU A 43 -11.164 -4.332 -3.964 1.00 0.00 C ATOM 608 CG LEU A 43 -12.043 -3.431 -4.832 1.00 0.00 C ATOM 609 CD1 LEU A 43 -11.605 -3.499 -6.287 1.00 0.00 C ATOM 610 CD2 LEU A 43 -13.507 -3.822 -4.694 1.00 0.00 C ATOM 0 H LEU A 43 -9.407 -3.288 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.319 -3.838 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.123 -4.163 -4.238 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.393 -5.370 -4.205 1.00 0.00 H new ATOM 0 HG LEU A 43 -11.928 -2.403 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -12.242 -2.851 -6.889 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.569 -3.169 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -11.689 -4.525 -6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -14.118 -3.170 -5.319 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.639 -4.856 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -13.814 -3.720 -3.653 1.00 0.00 H new ATOM 622 N PRO A 44 -12.042 -6.336 -1.684 1.00 0.00 N ATOM 623 CA PRO A 44 -11.932 -7.647 -1.037 1.00 0.00 C ATOM 624 C PRO A 44 -11.032 -8.602 -1.813 1.00 0.00 C ATOM 625 O PRO A 44 -11.061 -8.637 -3.043 1.00 0.00 O ATOM 626 CB PRO A 44 -13.374 -8.160 -1.026 1.00 0.00 C ATOM 627 CG PRO A 44 -14.034 -7.459 -2.163 1.00 0.00 C ATOM 628 CD PRO A 44 -13.383 -6.106 -2.249 1.00 0.00 C ATOM 0 HA PRO A 44 -11.484 -7.576 -0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.410 -9.242 -1.153 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.868 -7.933 -0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.904 -8.014 -3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -15.107 -7.366 -1.994 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -13.330 -5.750 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.935 -5.357 -1.681 1.00 0.00 H new ATOM 636 N VAL A 45 -10.233 -9.377 -1.086 1.00 0.00 N ATOM 637 CA VAL A 45 -9.325 -10.335 -1.707 1.00 0.00 C ATOM 638 C VAL A 45 -10.049 -11.184 -2.746 1.00 0.00 C ATOM 639 O VAL A 45 -11.168 -11.642 -2.519 1.00 0.00 O ATOM 640 CB VAL A 45 -8.685 -11.263 -0.658 1.00 0.00 C ATOM 641 CG1 VAL A 45 -7.639 -12.159 -1.304 1.00 0.00 C ATOM 642 CG2 VAL A 45 -8.076 -10.448 0.473 1.00 0.00 C ATOM 0 H VAL A 45 -10.196 -9.360 -0.067 1.00 0.00 H new ATOM 0 HA VAL A 45 -8.541 -9.757 -2.196 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.464 -11.900 -0.238 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.198 -12.808 -0.547 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.109 -12.769 -2.075 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.860 -11.543 -1.753 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.628 -11.120 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.309 -9.785 0.072 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.854 -9.854 0.953 1.00 0.00 H new ATOM 652 N GLY A 46 -9.401 -11.390 -3.889 1.00 0.00 N ATOM 653 CA GLY A 46 -9.998 -12.184 -4.947 1.00 0.00 C ATOM 654 C GLY A 46 -10.383 -11.349 -6.152 1.00 0.00 C ATOM 655 O GLY A 46 -10.233 -11.787 -7.293 1.00 0.00 O ATOM 0 H GLY A 46 -8.474 -11.021 -4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.296 -12.959 -5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.883 -12.690 -4.562 1.00 0.00 H new ATOM 659 N ASP A 47 -10.883 -10.144 -5.900 1.00 0.00 N ATOM 660 CA ASP A 47 -11.291 -9.246 -6.973 1.00 0.00 C ATOM 661 C ASP A 47 -10.092 -8.826 -7.817 1.00 0.00 C ATOM 662 O ASP A 47 -9.032 -8.499 -7.285 1.00 0.00 O ATOM 663 CB ASP A 47 -11.983 -8.010 -6.396 1.00 0.00 C ATOM 664 CG ASP A 47 -12.901 -7.339 -7.399 1.00 0.00 C ATOM 665 OD1 ASP A 47 -12.444 -7.058 -8.528 1.00 0.00 O ATOM 666 OD2 ASP A 47 -14.077 -7.096 -7.057 1.00 0.00 O ATOM 0 H ASP A 47 -11.015 -9.767 -4.962 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.993 -9.780 -7.613 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.559 -8.297 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.229 -7.297 -6.064 1.00 0.00 H new ATOM 671 N GLU A 48 -10.268 -8.839 -9.134 1.00 0.00 N ATOM 672 CA GLU A 48 -9.198 -8.461 -10.051 1.00 0.00 C ATOM 673 C GLU A 48 -9.026 -6.946 -10.090 1.00 0.00 C ATOM 674 O GLU A 48 -7.908 -6.440 -10.191 1.00 0.00 O ATOM 675 CB GLU A 48 -9.491 -8.989 -11.457 1.00 0.00 C ATOM 676 CG GLU A 48 -10.803 -8.485 -12.035 1.00 0.00 C ATOM 677 CD GLU A 48 -11.316 -9.358 -13.164 1.00 0.00 C ATOM 678 OE1 GLU A 48 -10.482 -9.925 -13.901 1.00 0.00 O ATOM 679 OE2 GLU A 48 -12.550 -9.474 -13.311 1.00 0.00 O ATOM 0 H GLU A 48 -11.140 -9.107 -9.590 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.270 -8.905 -9.690 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.676 -8.701 -12.121 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.510 -10.079 -11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.552 -8.443 -11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.668 -7.467 -12.400 1.00 0.00 H new ATOM 686 N ARG A 49 -10.141 -6.227 -10.011 1.00 0.00 N ATOM 687 CA ARG A 49 -10.114 -4.769 -10.040 1.00 0.00 C ATOM 688 C ARG A 49 -8.964 -4.230 -9.194 1.00 0.00 C ATOM 689 O ARG A 49 -8.375 -3.197 -9.515 1.00 0.00 O ATOM 690 CB ARG A 49 -11.442 -4.204 -9.534 1.00 0.00 C ATOM 691 CG ARG A 49 -12.540 -4.195 -10.585 1.00 0.00 C ATOM 692 CD ARG A 49 -13.897 -3.892 -9.971 1.00 0.00 C ATOM 693 NE ARG A 49 -13.836 -2.774 -9.032 1.00 0.00 N ATOM 694 CZ ARG A 49 -14.892 -2.309 -8.375 1.00 0.00 C ATOM 695 NH1 ARG A 49 -16.084 -2.861 -8.552 1.00 0.00 N ATOM 696 NH2 ARG A 49 -14.757 -1.288 -7.537 1.00 0.00 N ATOM 0 H ARG A 49 -11.074 -6.630 -9.926 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.962 -4.453 -11.072 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.775 -4.792 -8.678 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.282 -3.186 -9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.310 -3.450 -11.347 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.574 -5.163 -11.085 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.610 -3.662 -10.763 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.268 -4.778 -9.456 1.00 0.00 H new ATOM 0 HE ARG A 49 -12.933 -2.327 -8.873 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -16.192 -3.646 -9.195 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.893 -2.501 -8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -13.842 -0.860 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -15.569 -0.931 -7.033 1.00 0.00 H new ATOM 710 N CYS A 50 -8.651 -4.935 -8.113 1.00 0.00 N ATOM 711 CA CYS A 50 -7.572 -4.527 -7.219 1.00 0.00 C ATOM 712 C CYS A 50 -6.265 -4.357 -7.987 1.00 0.00 C ATOM 713 O CYS A 50 -5.887 -5.212 -8.788 1.00 0.00 O ATOM 714 CB CYS A 50 -7.391 -5.555 -6.102 1.00 0.00 C ATOM 715 SG CYS A 50 -8.943 -6.190 -5.425 1.00 0.00 S ATOM 0 H CYS A 50 -9.129 -5.792 -7.834 1.00 0.00 H new ATOM 0 HA CYS A 50 -7.841 -3.567 -6.779 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.804 -6.391 -6.484 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.814 -5.102 -5.296 1.00 0.00 H new ATOM 0 HG CYS A 50 -9.156 -7.390 -5.879 1.00 0.00 H new ATOM 721 N THR A 51 -5.579 -3.245 -7.739 1.00 0.00 N ATOM 722 CA THR A 51 -4.316 -2.961 -8.408 1.00 0.00 C ATOM 723 C THR A 51 -3.134 -3.468 -7.590 1.00 0.00 C ATOM 724 O THR A 51 -2.163 -3.949 -8.171 1.00 0.00 O ATOM 725 CB THR A 51 -4.142 -1.452 -8.660 1.00 0.00 C ATOM 726 OG1 THR A 51 -4.328 -0.726 -7.440 1.00 0.00 O ATOM 727 CG2 THR A 51 -5.132 -0.959 -9.706 1.00 0.00 C ATOM 0 H THR A 51 -5.878 -2.527 -7.079 1.00 0.00 H new ATOM 0 HA THR A 51 -4.341 -3.482 -9.365 1.00 0.00 H new ATOM 0 HB THR A 51 -3.131 -1.283 -9.032 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.471 -0.649 -6.971 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.990 0.110 -9.867 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.967 -1.492 -10.642 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.149 -1.141 -9.359 1.00 0.00 H new ATOM 735 N HIS A 52 -3.240 -3.353 -6.275 1.00 0.00 N ATOM 736 CA HIS A 52 -2.175 -3.803 -5.396 1.00 0.00 C ATOM 737 C HIS A 52 -2.726 -4.832 -4.406 1.00 0.00 C ATOM 738 O HIS A 52 -3.923 -4.884 -4.117 1.00 0.00 O ATOM 739 CB HIS A 52 -1.502 -2.616 -4.704 1.00 0.00 C ATOM 740 CG HIS A 52 -0.832 -1.652 -5.653 1.00 0.00 C ATOM 741 ND1 HIS A 52 -1.540 -0.767 -6.448 1.00 0.00 N ATOM 742 CD2 HIS A 52 0.488 -1.442 -5.925 1.00 0.00 C ATOM 743 CE1 HIS A 52 -0.675 -0.063 -7.162 1.00 0.00 C ATOM 744 NE2 HIS A 52 0.581 -0.482 -6.837 1.00 0.00 N ATOM 0 H HIS A 52 -4.048 -2.954 -5.797 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.399 -4.294 -5.983 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.249 -2.077 -4.122 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -0.760 -2.992 -4.000 1.00 0.00 H new ATOM 0 HD2 HIS A 52 1.317 -1.968 -5.475 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.921 0.708 -7.877 1.00 0.00 H new ATOM 0 HE2 HIS A 52 1.449 -0.118 -7.230 1.00 0.00 H new ATOM 752 N LEU A 53 -1.821 -5.654 -3.889 1.00 0.00 N ATOM 753 CA LEU A 53 -2.188 -6.691 -2.929 1.00 0.00 C ATOM 754 C LEU A 53 -1.161 -6.781 -1.805 1.00 0.00 C ATOM 755 O LEU A 53 -0.008 -7.149 -2.033 1.00 0.00 O ATOM 756 CB LEU A 53 -2.312 -8.043 -3.633 1.00 0.00 C ATOM 757 CG LEU A 53 -2.351 -9.272 -2.723 1.00 0.00 C ATOM 758 CD1 LEU A 53 -3.401 -9.097 -1.636 1.00 0.00 C ATOM 759 CD2 LEU A 53 -2.626 -10.529 -3.535 1.00 0.00 C ATOM 0 H LEU A 53 -0.827 -5.624 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.151 -6.425 -2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.219 -8.034 -4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.473 -8.151 -4.320 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.377 -9.378 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.415 -9.981 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.160 -8.220 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.381 -8.965 -2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.650 -11.393 -2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.587 -10.433 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.838 -10.663 -4.276 1.00 0.00 H new ATOM 771 N ILE A 54 -1.588 -6.444 -0.593 1.00 0.00 N ATOM 772 CA ILE A 54 -0.706 -6.490 0.567 1.00 0.00 C ATOM 773 C ILE A 54 -1.024 -7.691 1.452 1.00 0.00 C ATOM 774 O ILE A 54 -2.011 -7.690 2.187 1.00 0.00 O ATOM 775 CB ILE A 54 -0.813 -5.204 1.407 1.00 0.00 C ATOM 776 CG1 ILE A 54 -0.342 -3.997 0.595 1.00 0.00 C ATOM 777 CG2 ILE A 54 0.000 -5.338 2.687 1.00 0.00 C ATOM 778 CD1 ILE A 54 -1.425 -3.391 -0.270 1.00 0.00 C ATOM 0 H ILE A 54 -2.539 -6.136 -0.389 1.00 0.00 H new ATOM 0 HA ILE A 54 0.311 -6.581 0.187 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.858 -5.051 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.036 -3.235 1.277 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.492 -4.299 -0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.086 -4.421 3.270 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.378 -6.177 3.272 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.046 -5.512 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.020 -2.540 -0.817 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.787 -4.138 -0.977 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.250 -3.058 0.360 1.00 0.00 H new ATOM 790 N VAL A 55 -0.179 -8.714 1.377 1.00 0.00 N ATOM 791 CA VAL A 55 -0.368 -9.921 2.173 1.00 0.00 C ATOM 792 C VAL A 55 0.705 -10.043 3.249 1.00 0.00 C ATOM 793 O VAL A 55 1.886 -9.812 2.991 1.00 0.00 O ATOM 794 CB VAL A 55 -0.342 -11.184 1.293 1.00 0.00 C ATOM 795 CG1 VAL A 55 0.888 -11.186 0.398 1.00 0.00 C ATOM 796 CG2 VAL A 55 -0.385 -12.436 2.156 1.00 0.00 C ATOM 0 H VAL A 55 0.643 -8.731 0.773 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.346 -9.837 2.647 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.226 -11.179 0.655 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.889 -12.086 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.871 -10.307 -0.246 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.787 -11.166 1.015 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.366 -13.319 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.479 -12.450 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.299 -12.437 2.750 1.00 0.00 H new ATOM 806 N GLU A 56 0.285 -10.407 4.457 1.00 0.00 N ATOM 807 CA GLU A 56 1.211 -10.559 5.573 1.00 0.00 C ATOM 808 C GLU A 56 2.062 -11.815 5.407 1.00 0.00 C ATOM 809 O GLU A 56 1.593 -12.929 5.636 1.00 0.00 O ATOM 810 CB GLU A 56 0.445 -10.620 6.896 1.00 0.00 C ATOM 811 CG GLU A 56 1.344 -10.728 8.116 1.00 0.00 C ATOM 812 CD GLU A 56 0.719 -10.121 9.357 1.00 0.00 C ATOM 813 OE1 GLU A 56 0.657 -8.876 9.442 1.00 0.00 O ATOM 814 OE2 GLU A 56 0.292 -10.890 10.244 1.00 0.00 O ATOM 0 H GLU A 56 -0.689 -10.602 4.687 1.00 0.00 H new ATOM 0 HA GLU A 56 1.872 -9.692 5.584 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.174 -9.728 6.989 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.230 -11.475 6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.570 -11.778 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.291 -10.230 7.910 1.00 0.00 H new ATOM 821 N GLU A 57 3.315 -11.625 5.007 1.00 0.00 N ATOM 822 CA GLU A 57 4.231 -12.743 4.809 1.00 0.00 C ATOM 823 C GLU A 57 4.661 -13.338 6.146 1.00 0.00 C ATOM 824 O GLU A 57 5.279 -14.400 6.195 1.00 0.00 O ATOM 825 CB GLU A 57 5.462 -12.289 4.021 1.00 0.00 C ATOM 826 CG GLU A 57 6.267 -11.206 4.719 1.00 0.00 C ATOM 827 CD GLU A 57 7.291 -11.771 5.684 1.00 0.00 C ATOM 828 OE1 GLU A 57 7.201 -12.975 6.006 1.00 0.00 O ATOM 829 OE2 GLU A 57 8.182 -11.011 6.117 1.00 0.00 O ATOM 0 H GLU A 57 3.719 -10.709 4.814 1.00 0.00 H new ATOM 0 HA GLU A 57 3.707 -13.512 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.106 -13.150 3.842 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.143 -11.921 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.775 -10.597 3.971 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.589 -10.546 5.260 1.00 0.00 H new ATOM 836 N ASN A 58 4.328 -12.644 7.230 1.00 0.00 N ATOM 837 CA ASN A 58 4.681 -13.102 8.569 1.00 0.00 C ATOM 838 C ASN A 58 3.952 -14.398 8.910 1.00 0.00 C ATOM 839 O ASN A 58 4.538 -15.325 9.471 1.00 0.00 O ATOM 840 CB ASN A 58 4.343 -12.027 9.604 1.00 0.00 C ATOM 841 CG ASN A 58 5.486 -11.054 9.822 1.00 0.00 C ATOM 842 OD1 ASN A 58 6.551 -11.431 10.312 1.00 0.00 O ATOM 843 ND2 ASN A 58 5.270 -9.796 9.457 1.00 0.00 N ATOM 0 H ASN A 58 3.815 -11.763 7.207 1.00 0.00 H new ATOM 0 HA ASN A 58 5.754 -13.293 8.590 1.00 0.00 H new ATOM 0 HB2 ASN A 58 3.459 -11.478 9.278 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.091 -12.505 10.551 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.003 -9.097 9.579 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.371 -9.529 9.055 1.00 0.00 H new ATOM 850 N THR A 59 2.669 -14.457 8.566 1.00 0.00 N ATOM 851 CA THR A 59 1.859 -15.639 8.835 1.00 0.00 C ATOM 852 C THR A 59 1.447 -16.330 7.541 1.00 0.00 C ATOM 853 O THR A 59 1.425 -17.558 7.460 1.00 0.00 O ATOM 854 CB THR A 59 0.594 -15.281 9.638 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.047 -16.476 10.099 1.00 0.00 O ATOM 856 CG2 THR A 59 -0.376 -14.475 8.789 1.00 0.00 C ATOM 0 H THR A 59 2.169 -13.700 8.100 1.00 0.00 H new ATOM 0 HA THR A 59 2.476 -16.317 9.425 1.00 0.00 H new ATOM 0 HB THR A 59 0.893 -14.675 10.494 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.849 -16.241 10.610 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.261 -14.234 9.378 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.105 -13.553 8.463 1.00 0.00 H new ATOM 0 HG23 THR A 59 -0.668 -15.059 7.917 1.00 0.00 H new ATOM 864 N VAL A 60 1.122 -15.533 6.528 1.00 0.00 N ATOM 865 CA VAL A 60 0.712 -16.068 5.235 1.00 0.00 C ATOM 866 C VAL A 60 1.891 -16.698 4.502 1.00 0.00 C ATOM 867 O VAL A 60 2.908 -16.045 4.263 1.00 0.00 O ATOM 868 CB VAL A 60 0.093 -14.974 4.345 1.00 0.00 C ATOM 869 CG1 VAL A 60 -0.495 -15.583 3.081 1.00 0.00 C ATOM 870 CG2 VAL A 60 -0.965 -14.198 5.114 1.00 0.00 C ATOM 0 H VAL A 60 1.135 -14.514 6.578 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.039 -16.832 5.433 1.00 0.00 H new ATOM 0 HB VAL A 60 0.880 -14.279 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.928 -14.795 2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.291 -16.090 2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.270 -16.301 3.349 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.392 -13.429 4.470 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.752 -14.879 5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.510 -13.729 5.986 1.00 0.00 H new ATOM 880 N LYS A 61 1.749 -17.970 4.146 1.00 0.00 N ATOM 881 CA LYS A 61 2.802 -18.689 3.438 1.00 0.00 C ATOM 882 C LYS A 61 2.481 -18.797 1.951 1.00 0.00 C ATOM 883 O LYS A 61 3.378 -18.758 1.109 1.00 0.00 O ATOM 884 CB LYS A 61 2.983 -20.087 4.035 1.00 0.00 C ATOM 885 CG LYS A 61 3.950 -20.129 5.205 1.00 0.00 C ATOM 886 CD LYS A 61 4.155 -21.547 5.709 1.00 0.00 C ATOM 887 CE LYS A 61 5.154 -22.306 4.849 1.00 0.00 C ATOM 888 NZ LYS A 61 6.534 -21.767 4.997 1.00 0.00 N ATOM 0 H LYS A 61 0.914 -18.525 4.336 1.00 0.00 H new ATOM 0 HA LYS A 61 3.730 -18.129 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.013 -20.461 4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.339 -20.762 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.908 -19.708 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.570 -19.506 6.014 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.508 -21.520 6.740 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.201 -22.075 5.712 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.144 -23.360 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.851 -22.248 3.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.221 -22.483 4.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.637 -20.912 4.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.709 -21.529 5.994 1.00 0.00 H new ATOM 902 N ASP A 62 1.198 -18.931 1.635 1.00 0.00 N ATOM 903 CA ASP A 62 0.759 -19.041 0.249 1.00 0.00 C ATOM 904 C ASP A 62 -0.590 -18.358 0.050 1.00 0.00 C ATOM 905 O ASP A 62 -1.389 -18.255 0.982 1.00 0.00 O ATOM 906 CB ASP A 62 0.666 -20.511 -0.163 1.00 0.00 C ATOM 907 CG ASP A 62 2.028 -21.166 -0.282 1.00 0.00 C ATOM 908 OD1 ASP A 62 2.537 -21.667 0.742 1.00 0.00 O ATOM 909 OD2 ASP A 62 2.586 -21.178 -1.400 1.00 0.00 O ATOM 0 H ASP A 62 0.443 -18.966 2.320 1.00 0.00 H new ATOM 0 HA ASP A 62 1.495 -18.541 -0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.068 -21.053 0.569 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.146 -20.586 -1.118 1.00 0.00 H new ATOM 914 N LEU A 63 -0.838 -17.892 -1.169 1.00 0.00 N ATOM 915 CA LEU A 63 -2.090 -17.217 -1.491 1.00 0.00 C ATOM 916 C LEU A 63 -3.205 -18.228 -1.740 1.00 0.00 C ATOM 917 O LEU A 63 -2.989 -19.300 -2.307 1.00 0.00 O ATOM 918 CB LEU A 63 -1.911 -16.325 -2.720 1.00 0.00 C ATOM 919 CG LEU A 63 -1.071 -15.063 -2.517 1.00 0.00 C ATOM 920 CD1 LEU A 63 -0.747 -14.416 -3.854 1.00 0.00 C ATOM 921 CD2 LEU A 63 -1.797 -14.080 -1.609 1.00 0.00 C ATOM 0 H LEU A 63 -0.188 -17.969 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.369 -16.598 -0.639 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.453 -16.919 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.898 -16.027 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.134 -15.347 -2.038 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.149 -13.520 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.186 -15.118 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.673 -14.146 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.185 -13.188 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.749 -13.802 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.977 -14.545 -0.640 1.00 0.00 H new ATOM 933 N PRO A 64 -4.427 -17.880 -1.310 1.00 0.00 N ATOM 934 CA PRO A 64 -5.600 -18.743 -1.479 1.00 0.00 C ATOM 935 C PRO A 64 -6.037 -18.850 -2.936 1.00 0.00 C ATOM 936 O PRO A 64 -6.804 -19.741 -3.301 1.00 0.00 O ATOM 937 CB PRO A 64 -6.678 -18.041 -0.648 1.00 0.00 C ATOM 938 CG PRO A 64 -6.260 -16.611 -0.616 1.00 0.00 C ATOM 939 CD PRO A 64 -4.757 -16.619 -0.627 1.00 0.00 C ATOM 0 HA PRO A 64 -5.400 -19.768 -1.167 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.663 -18.155 -1.100 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.738 -18.459 0.357 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -6.654 -16.070 -1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -6.641 -16.113 0.275 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -4.355 -15.757 -1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -4.348 -16.590 0.383 1.00 0.00 H new ATOM 947 N PHE A 65 -5.543 -17.936 -3.765 1.00 0.00 N ATOM 948 CA PHE A 65 -5.883 -17.928 -5.183 1.00 0.00 C ATOM 949 C PHE A 65 -4.637 -17.724 -6.040 1.00 0.00 C ATOM 950 O PHE A 65 -3.543 -17.507 -5.520 1.00 0.00 O ATOM 951 CB PHE A 65 -6.904 -16.827 -5.478 1.00 0.00 C ATOM 952 CG PHE A 65 -6.326 -15.442 -5.422 1.00 0.00 C ATOM 953 CD1 PHE A 65 -5.800 -14.944 -4.241 1.00 0.00 C ATOM 954 CD2 PHE A 65 -6.309 -14.638 -6.550 1.00 0.00 C ATOM 955 CE1 PHE A 65 -5.267 -13.670 -4.185 1.00 0.00 C ATOM 956 CE2 PHE A 65 -5.777 -13.363 -6.501 1.00 0.00 C ATOM 957 CZ PHE A 65 -5.256 -12.879 -5.317 1.00 0.00 C ATOM 0 H PHE A 65 -4.906 -17.192 -3.479 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.319 -18.895 -5.432 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.331 -16.994 -6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.722 -16.900 -4.761 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.807 -15.559 -3.353 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.716 -15.011 -7.478 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.860 -13.294 -3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.769 -12.746 -7.387 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.840 -11.883 -5.276 1.00 0.00 H new ATOM 967 N GLU A 66 -4.812 -17.796 -7.356 1.00 0.00 N ATOM 968 CA GLU A 66 -3.702 -17.620 -8.284 1.00 0.00 C ATOM 969 C GLU A 66 -3.854 -16.325 -9.076 1.00 0.00 C ATOM 970 O GLU A 66 -4.409 -16.301 -10.175 1.00 0.00 O ATOM 971 CB GLU A 66 -3.617 -18.810 -9.243 1.00 0.00 C ATOM 972 CG GLU A 66 -3.090 -20.079 -8.594 1.00 0.00 C ATOM 973 CD GLU A 66 -2.994 -21.236 -9.569 1.00 0.00 C ATOM 974 OE1 GLU A 66 -4.027 -21.893 -9.814 1.00 0.00 O ATOM 975 OE2 GLU A 66 -1.885 -21.485 -10.086 1.00 0.00 O ATOM 0 H GLU A 66 -5.711 -17.975 -7.803 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.782 -17.564 -7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.607 -19.006 -9.653 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.972 -18.545 -10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.105 -19.884 -8.170 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.743 -20.358 -7.768 1.00 0.00 H new ATOM 982 N PRO A 67 -3.350 -15.221 -8.505 1.00 0.00 N ATOM 983 CA PRO A 67 -3.417 -13.900 -9.139 1.00 0.00 C ATOM 984 C PRO A 67 -2.514 -13.799 -10.364 1.00 0.00 C ATOM 985 O PRO A 67 -1.615 -14.618 -10.554 1.00 0.00 O ATOM 986 CB PRO A 67 -2.934 -12.953 -8.038 1.00 0.00 C ATOM 987 CG PRO A 67 -2.075 -13.797 -7.162 1.00 0.00 C ATOM 988 CD PRO A 67 -2.675 -15.176 -7.197 1.00 0.00 C ATOM 0 HA PRO A 67 -4.418 -13.674 -9.505 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -2.373 -12.116 -8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -3.772 -12.531 -7.483 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.046 -13.810 -7.521 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -2.053 -13.407 -6.144 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.911 -15.949 -7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.377 -15.330 -6.377 1.00 0.00 H new ATOM 996 N SER A 68 -2.757 -12.787 -11.191 1.00 0.00 N ATOM 997 CA SER A 68 -1.968 -12.581 -12.399 1.00 0.00 C ATOM 998 C SER A 68 -0.815 -11.616 -12.136 1.00 0.00 C ATOM 999 O SER A 68 -0.716 -11.026 -11.060 1.00 0.00 O ATOM 1000 CB SER A 68 -2.851 -12.042 -13.526 1.00 0.00 C ATOM 1001 OG SER A 68 -3.491 -13.099 -14.221 1.00 0.00 O ATOM 0 H SER A 68 -3.494 -12.097 -11.046 1.00 0.00 H new ATOM 0 HA SER A 68 -1.554 -13.543 -12.701 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.601 -11.367 -13.114 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.245 -11.460 -14.220 1.00 0.00 H new ATOM 0 HG SER A 68 -4.051 -12.729 -14.935 1.00 0.00 H new ATOM 1007 N LYS A 69 0.055 -11.459 -13.128 1.00 0.00 N ATOM 1008 CA LYS A 69 1.201 -10.566 -13.007 1.00 0.00 C ATOM 1009 C LYS A 69 0.748 -9.113 -12.892 1.00 0.00 C ATOM 1010 O LYS A 69 1.427 -8.288 -12.281 1.00 0.00 O ATOM 1011 CB LYS A 69 2.129 -10.728 -14.213 1.00 0.00 C ATOM 1012 CG LYS A 69 1.539 -10.202 -15.510 1.00 0.00 C ATOM 1013 CD LYS A 69 1.887 -8.738 -15.728 1.00 0.00 C ATOM 1014 CE LYS A 69 1.286 -8.209 -17.021 1.00 0.00 C ATOM 1015 NZ LYS A 69 2.127 -8.548 -18.202 1.00 0.00 N ATOM 0 H LYS A 69 -0.012 -11.939 -14.025 1.00 0.00 H new ATOM 0 HA LYS A 69 1.744 -10.832 -12.100 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.066 -10.208 -14.012 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.371 -11.784 -14.336 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.911 -10.794 -16.346 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.456 -10.321 -15.492 1.00 0.00 H new ATOM 0 HD2 LYS A 69 1.522 -8.147 -14.888 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.970 -8.620 -15.754 1.00 0.00 H new ATOM 0 HE2 LYS A 69 0.288 -8.625 -17.155 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.174 -7.127 -16.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 1.684 -8.170 -19.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 3.072 -8.130 -18.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.213 -9.581 -18.282 1.00 0.00 H new ATOM 1029 N LYS A 70 -0.403 -8.808 -13.482 1.00 0.00 N ATOM 1030 CA LYS A 70 -0.948 -7.457 -13.444 1.00 0.00 C ATOM 1031 C LYS A 70 -1.099 -6.972 -12.005 1.00 0.00 C ATOM 1032 O LYS A 70 -0.768 -5.829 -11.686 1.00 0.00 O ATOM 1033 CB LYS A 70 -2.302 -7.411 -14.154 1.00 0.00 C ATOM 1034 CG LYS A 70 -3.343 -8.332 -13.540 1.00 0.00 C ATOM 1035 CD LYS A 70 -4.629 -8.338 -14.350 1.00 0.00 C ATOM 1036 CE LYS A 70 -5.460 -7.092 -14.085 1.00 0.00 C ATOM 1037 NZ LYS A 70 -6.291 -7.231 -12.856 1.00 0.00 N ATOM 0 H LYS A 70 -0.977 -9.479 -13.993 1.00 0.00 H new ATOM 0 HA LYS A 70 -0.252 -6.796 -13.961 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.678 -6.388 -14.135 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.163 -7.680 -15.201 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -2.944 -9.345 -13.481 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.556 -8.013 -12.520 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.391 -8.399 -15.412 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.212 -9.225 -14.102 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.800 -6.230 -13.982 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -6.107 -6.898 -14.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.071 -6.544 -12.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.680 -8.194 -12.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.703 -7.052 -12.017 1.00 0.00 H new ATOM 1051 N LEU A 71 -1.601 -7.847 -11.141 1.00 0.00 N ATOM 1052 CA LEU A 71 -1.795 -7.508 -9.735 1.00 0.00 C ATOM 1053 C LEU A 71 -0.472 -7.546 -8.978 1.00 0.00 C ATOM 1054 O LEU A 71 0.184 -8.586 -8.904 1.00 0.00 O ATOM 1055 CB LEU A 71 -2.792 -8.473 -9.091 1.00 0.00 C ATOM 1056 CG LEU A 71 -2.931 -8.378 -7.571 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -3.814 -7.201 -7.188 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -3.493 -9.675 -7.005 1.00 0.00 C ATOM 0 H LEU A 71 -1.881 -8.796 -11.389 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.193 -6.495 -9.682 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.772 -8.303 -9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.498 -9.491 -9.346 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.941 -8.217 -7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.901 -7.150 -6.103 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.371 -6.277 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.804 -7.331 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.585 -9.590 -5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.474 -9.866 -7.439 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.822 -10.499 -7.248 1.00 0.00 H new ATOM 1070 N PHE A 72 -0.085 -6.406 -8.415 1.00 0.00 N ATOM 1071 CA PHE A 72 1.160 -6.309 -7.662 1.00 0.00 C ATOM 1072 C PHE A 72 0.972 -6.810 -6.233 1.00 0.00 C ATOM 1073 O PHE A 72 -0.034 -6.515 -5.587 1.00 0.00 O ATOM 1074 CB PHE A 72 1.660 -4.863 -7.646 1.00 0.00 C ATOM 1075 CG PHE A 72 2.035 -4.343 -9.004 1.00 0.00 C ATOM 1076 CD1 PHE A 72 3.268 -4.645 -9.559 1.00 0.00 C ATOM 1077 CD2 PHE A 72 1.154 -3.555 -9.727 1.00 0.00 C ATOM 1078 CE1 PHE A 72 3.617 -4.167 -10.809 1.00 0.00 C ATOM 1079 CE2 PHE A 72 1.497 -3.074 -10.977 1.00 0.00 C ATOM 1080 CZ PHE A 72 2.729 -3.382 -11.519 1.00 0.00 C ATOM 0 H PHE A 72 -0.616 -5.536 -8.466 1.00 0.00 H new ATOM 0 HA PHE A 72 1.903 -6.937 -8.154 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.885 -4.224 -7.222 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.526 -4.794 -6.987 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.965 -5.261 -9.009 1.00 0.00 H new ATOM 0 HD2 PHE A 72 0.188 -3.314 -9.309 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.582 -4.407 -11.230 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.802 -2.458 -11.529 1.00 0.00 H new ATOM 0 HZ PHE A 72 2.998 -3.010 -12.496 1.00 0.00 H new ATOM 1090 N VAL A 73 1.947 -7.570 -5.745 1.00 0.00 N ATOM 1091 CA VAL A 73 1.890 -8.112 -4.393 1.00 0.00 C ATOM 1092 C VAL A 73 3.093 -7.665 -3.571 1.00 0.00 C ATOM 1093 O VAL A 73 4.238 -7.962 -3.913 1.00 0.00 O ATOM 1094 CB VAL A 73 1.835 -9.652 -4.407 1.00 0.00 C ATOM 1095 CG1 VAL A 73 1.464 -10.186 -3.032 1.00 0.00 C ATOM 1096 CG2 VAL A 73 0.853 -10.140 -5.461 1.00 0.00 C ATOM 0 H VAL A 73 2.786 -7.824 -6.266 1.00 0.00 H new ATOM 0 HA VAL A 73 0.978 -7.728 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 73 2.824 -10.031 -4.662 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.430 -11.275 -3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.209 -9.866 -2.304 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.486 -9.800 -2.744 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.827 -11.230 -5.457 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.141 -9.752 -5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.169 -9.788 -6.443 1.00 0.00 H new ATOM 1106 N VAL A 74 2.827 -6.949 -2.483 1.00 0.00 N ATOM 1107 CA VAL A 74 3.888 -6.461 -1.610 1.00 0.00 C ATOM 1108 C VAL A 74 3.613 -6.825 -0.155 1.00 0.00 C ATOM 1109 O VAL A 74 2.493 -7.188 0.205 1.00 0.00 O ATOM 1110 CB VAL A 74 4.050 -4.934 -1.723 1.00 0.00 C ATOM 1111 CG1 VAL A 74 4.551 -4.551 -3.108 1.00 0.00 C ATOM 1112 CG2 VAL A 74 2.736 -4.234 -1.411 1.00 0.00 C ATOM 0 H VAL A 74 1.885 -6.694 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 74 4.811 -6.942 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 74 4.791 -4.610 -0.992 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.659 -3.468 -3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.517 -5.023 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 74 3.836 -4.887 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.869 -3.155 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.973 -4.562 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.423 -4.482 -0.397 1.00 0.00 H new ATOM 1122 N LYS A 75 4.643 -6.726 0.678 1.00 0.00 N ATOM 1123 CA LYS A 75 4.514 -7.043 2.096 1.00 0.00 C ATOM 1124 C LYS A 75 3.651 -6.007 2.808 1.00 0.00 C ATOM 1125 O LYS A 75 3.172 -5.055 2.192 1.00 0.00 O ATOM 1126 CB LYS A 75 5.895 -7.111 2.752 1.00 0.00 C ATOM 1127 CG LYS A 75 6.812 -8.151 2.133 1.00 0.00 C ATOM 1128 CD LYS A 75 8.271 -7.743 2.241 1.00 0.00 C ATOM 1129 CE LYS A 75 9.159 -8.609 1.360 1.00 0.00 C ATOM 1130 NZ LYS A 75 9.652 -9.813 2.083 1.00 0.00 N ATOM 0 H LYS A 75 5.577 -6.429 0.396 1.00 0.00 H new ATOM 0 HA LYS A 75 4.029 -8.015 2.183 1.00 0.00 H new ATOM 0 HB2 LYS A 75 6.370 -6.132 2.682 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.774 -7.331 3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.664 -9.110 2.630 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.549 -8.291 1.084 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.380 -6.697 1.953 1.00 0.00 H new ATOM 0 HD3 LYS A 75 8.597 -7.823 3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.602 -8.919 0.476 1.00 0.00 H new ATOM 0 HE3 LYS A 75 10.008 -8.022 1.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.253 -10.377 1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.205 -9.517 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.842 -10.387 2.394 1.00 0.00 H new ATOM 1144 N GLN A 76 3.458 -6.198 4.110 1.00 0.00 N ATOM 1145 CA GLN A 76 2.653 -5.278 4.905 1.00 0.00 C ATOM 1146 C GLN A 76 3.365 -3.940 5.076 1.00 0.00 C ATOM 1147 O GLN A 76 2.724 -2.894 5.167 1.00 0.00 O ATOM 1148 CB GLN A 76 2.351 -5.887 6.276 1.00 0.00 C ATOM 1149 CG GLN A 76 3.584 -6.070 7.146 1.00 0.00 C ATOM 1150 CD GLN A 76 4.326 -7.357 6.843 1.00 0.00 C ATOM 1151 OE1 GLN A 76 3.605 -8.472 6.848 1.00 0.00 O flip ATOM 1152 NE2 GLN A 76 5.534 -7.349 6.606 1.00 0.00 N flip ATOM 0 H GLN A 76 3.848 -6.981 4.636 1.00 0.00 H new ATOM 0 HA GLN A 76 1.715 -5.105 4.377 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.639 -5.248 6.799 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.868 -6.854 6.136 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.256 -5.224 7.000 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.288 -6.064 8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.049 -6.469 6.613 1.00 0.00 H new ATOM 0 HE22 GLN A 76 6.020 -8.223 6.403 1.00 0.00 H new ATOM 1161 N GLU A 77 4.693 -3.982 5.118 1.00 0.00 N ATOM 1162 CA GLU A 77 5.490 -2.772 5.279 1.00 0.00 C ATOM 1163 C GLU A 77 5.071 -1.706 4.271 1.00 0.00 C ATOM 1164 O GLU A 77 4.719 -0.587 4.646 1.00 0.00 O ATOM 1165 CB GLU A 77 6.978 -3.089 5.113 1.00 0.00 C ATOM 1166 CG GLU A 77 7.661 -3.499 6.407 1.00 0.00 C ATOM 1167 CD GLU A 77 6.801 -4.416 7.256 1.00 0.00 C ATOM 1168 OE1 GLU A 77 5.812 -3.927 7.841 1.00 0.00 O ATOM 1169 OE2 GLU A 77 7.118 -5.621 7.335 1.00 0.00 O ATOM 0 H GLU A 77 5.239 -4.840 5.043 1.00 0.00 H new ATOM 0 HA GLU A 77 5.318 -2.385 6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.091 -3.890 4.383 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.484 -2.214 4.706 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.600 -4.001 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.910 -2.606 6.981 1.00 0.00 H new ATOM 1176 N TRP A 78 5.111 -2.061 2.993 1.00 0.00 N ATOM 1177 CA TRP A 78 4.736 -1.135 1.930 1.00 0.00 C ATOM 1178 C TRP A 78 3.577 -0.246 2.367 1.00 0.00 C ATOM 1179 O TRP A 78 3.719 0.973 2.463 1.00 0.00 O ATOM 1180 CB TRP A 78 4.355 -1.906 0.665 1.00 0.00 C ATOM 1181 CG TRP A 78 4.173 -1.025 -0.534 1.00 0.00 C ATOM 1182 CD1 TRP A 78 5.103 -0.743 -1.493 1.00 0.00 C ATOM 1183 CD2 TRP A 78 2.987 -0.312 -0.901 1.00 0.00 C ATOM 1184 NE1 TRP A 78 4.568 0.104 -2.434 1.00 0.00 N ATOM 1185 CE2 TRP A 78 3.270 0.382 -2.094 1.00 0.00 C ATOM 1186 CE3 TRP A 78 1.713 -0.193 -0.339 1.00 0.00 C ATOM 1187 CZ2 TRP A 78 2.326 1.183 -2.731 1.00 0.00 C ATOM 1188 CZ3 TRP A 78 0.777 0.602 -0.973 1.00 0.00 C ATOM 1189 CH2 TRP A 78 1.087 1.281 -2.159 1.00 0.00 C ATOM 0 H TRP A 78 5.399 -2.983 2.667 1.00 0.00 H new ATOM 0 HA TRP A 78 5.595 -0.500 1.715 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.128 -2.644 0.451 1.00 0.00 H new ATOM 0 HB3 TRP A 78 3.431 -2.455 0.847 1.00 0.00 H new ATOM 0 HD1 TRP A 78 6.112 -1.129 -1.510 1.00 0.00 H new ATOM 0 HE1 TRP A 78 5.057 0.467 -3.252 1.00 0.00 H new ATOM 0 HE3 TRP A 78 1.464 -0.713 0.574 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 2.563 1.708 -3.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 -0.210 0.702 -0.547 1.00 0.00 H new ATOM 0 HH2 TRP A 78 0.333 1.894 -2.631 1.00 0.00 H new ATOM 1200 N PHE A 79 2.430 -0.864 2.630 1.00 0.00 N ATOM 1201 CA PHE A 79 1.246 -0.127 3.057 1.00 0.00 C ATOM 1202 C PHE A 79 1.588 0.853 4.175 1.00 0.00 C ATOM 1203 O PHE A 79 1.323 2.050 4.067 1.00 0.00 O ATOM 1204 CB PHE A 79 0.159 -1.096 3.527 1.00 0.00 C ATOM 1205 CG PHE A 79 -1.047 -0.410 4.104 1.00 0.00 C ATOM 1206 CD1 PHE A 79 -1.890 0.334 3.295 1.00 0.00 C ATOM 1207 CD2 PHE A 79 -1.337 -0.510 5.455 1.00 0.00 C ATOM 1208 CE1 PHE A 79 -2.999 0.967 3.823 1.00 0.00 C ATOM 1209 CE2 PHE A 79 -2.445 0.120 5.989 1.00 0.00 C ATOM 1210 CZ PHE A 79 -3.278 0.859 5.172 1.00 0.00 C ATOM 0 H PHE A 79 2.295 -1.872 2.555 1.00 0.00 H new ATOM 0 HA PHE A 79 0.874 0.440 2.203 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.153 -1.715 2.686 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.580 -1.766 4.277 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -1.678 0.420 2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.689 -1.087 6.098 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.647 1.546 3.182 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -2.659 0.035 7.044 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.145 1.351 5.586 1.00 0.00 H new ATOM 1220 N TRP A 80 2.177 0.336 5.247 1.00 0.00 N ATOM 1221 CA TRP A 80 2.555 1.165 6.386 1.00 0.00 C ATOM 1222 C TRP A 80 3.377 2.367 5.935 1.00 0.00 C ATOM 1223 O TRP A 80 3.020 3.512 6.205 1.00 0.00 O ATOM 1224 CB TRP A 80 3.347 0.341 7.402 1.00 0.00 C ATOM 1225 CG TRP A 80 2.506 -0.650 8.148 1.00 0.00 C ATOM 1226 CD1 TRP A 80 2.722 -1.995 8.251 1.00 0.00 C ATOM 1227 CD2 TRP A 80 1.316 -0.375 8.894 1.00 0.00 C ATOM 1228 NE1 TRP A 80 1.737 -2.572 9.015 1.00 0.00 N ATOM 1229 CE2 TRP A 80 0.862 -1.599 9.422 1.00 0.00 C ATOM 1230 CE3 TRP A 80 0.589 0.787 9.168 1.00 0.00 C ATOM 1231 CZ2 TRP A 80 -0.284 -1.692 10.207 1.00 0.00 C ATOM 1232 CZ3 TRP A 80 -0.548 0.694 9.946 1.00 0.00 C ATOM 1233 CH2 TRP A 80 -0.976 -0.538 10.459 1.00 0.00 C ATOM 0 H TRP A 80 2.403 -0.653 5.352 1.00 0.00 H new ATOM 0 HA TRP A 80 1.642 1.529 6.858 1.00 0.00 H new ATOM 0 HB2 TRP A 80 4.147 -0.189 6.885 1.00 0.00 H new ATOM 0 HB3 TRP A 80 3.820 1.015 8.116 1.00 0.00 H new ATOM 0 HD1 TRP A 80 3.546 -2.526 7.798 1.00 0.00 H new ATOM 0 HE1 TRP A 80 1.668 -3.564 9.243 1.00 0.00 H new ATOM 0 HE3 TRP A 80 0.911 1.741 8.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -0.615 -2.641 10.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -1.117 1.586 10.163 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.869 -0.578 11.065 1.00 0.00 H new ATOM 1244 N GLY A 81 4.482 2.097 5.245 1.00 0.00 N ATOM 1245 CA GLY A 81 5.338 3.168 4.768 1.00 0.00 C ATOM 1246 C GLY A 81 4.569 4.230 4.007 1.00 0.00 C ATOM 1247 O GLY A 81 4.405 5.351 4.488 1.00 0.00 O ATOM 0 H GLY A 81 4.799 1.157 5.008 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.845 3.629 5.616 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.111 2.751 4.122 1.00 0.00 H new ATOM 1251 N SER A 82 4.097 3.877 2.816 1.00 0.00 N ATOM 1252 CA SER A 82 3.346 4.810 1.984 1.00 0.00 C ATOM 1253 C SER A 82 2.487 5.733 2.844 1.00 0.00 C ATOM 1254 O SER A 82 2.322 6.913 2.533 1.00 0.00 O ATOM 1255 CB SER A 82 2.462 4.048 0.995 1.00 0.00 C ATOM 1256 OG SER A 82 3.233 3.504 -0.063 1.00 0.00 O ATOM 0 H SER A 82 4.221 2.952 2.405 1.00 0.00 H new ATOM 0 HA SER A 82 4.060 5.418 1.428 1.00 0.00 H new ATOM 0 HB2 SER A 82 1.936 3.247 1.515 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.703 4.718 0.590 1.00 0.00 H new ATOM 0 HG SER A 82 2.669 2.919 -0.612 1.00 0.00 H new ATOM 1262 N ILE A 83 1.942 5.186 3.925 1.00 0.00 N ATOM 1263 CA ILE A 83 1.101 5.960 4.830 1.00 0.00 C ATOM 1264 C ILE A 83 1.942 6.867 5.722 1.00 0.00 C ATOM 1265 O ILE A 83 1.720 8.076 5.778 1.00 0.00 O ATOM 1266 CB ILE A 83 0.238 5.044 5.718 1.00 0.00 C ATOM 1267 CG1 ILE A 83 -0.707 4.204 4.856 1.00 0.00 C ATOM 1268 CG2 ILE A 83 -0.548 5.869 6.725 1.00 0.00 C ATOM 1269 CD1 ILE A 83 -1.242 2.979 5.563 1.00 0.00 C ATOM 0 H ILE A 83 2.067 4.211 4.196 1.00 0.00 H new ATOM 0 HA ILE A 83 0.447 6.571 4.208 1.00 0.00 H new ATOM 0 HB ILE A 83 0.896 4.370 6.266 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.545 4.825 4.539 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.182 3.892 3.953 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.153 5.207 7.345 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.143 6.427 7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.199 6.565 6.196 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.904 2.432 4.892 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.412 2.337 5.857 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.796 3.284 6.451 1.00 0.00 H new ATOM 1281 N GLN A 84 2.908 6.275 6.416 1.00 0.00 N ATOM 1282 CA GLN A 84 3.784 7.031 7.304 1.00 0.00 C ATOM 1283 C GLN A 84 4.425 8.203 6.568 1.00 0.00 C ATOM 1284 O GLN A 84 4.532 9.303 7.108 1.00 0.00 O ATOM 1285 CB GLN A 84 4.869 6.120 7.882 1.00 0.00 C ATOM 1286 CG GLN A 84 5.414 6.596 9.218 1.00 0.00 C ATOM 1287 CD GLN A 84 4.361 6.608 10.308 1.00 0.00 C ATOM 1288 OE1 GLN A 84 3.316 5.967 10.184 1.00 0.00 O ATOM 1289 NE2 GLN A 84 4.629 7.338 11.384 1.00 0.00 N ATOM 0 H GLN A 84 3.104 5.275 6.381 1.00 0.00 H new ATOM 0 HA GLN A 84 3.179 7.426 8.120 1.00 0.00 H new ATOM 0 HB2 GLN A 84 4.463 5.116 8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.690 6.049 7.169 1.00 0.00 H new ATOM 0 HG2 GLN A 84 6.238 5.949 9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 84 5.823 7.600 9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 84 5.507 7.853 11.445 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.957 7.384 12.150 1.00 0.00 H new ATOM 1298 N MET A 85 4.851 7.958 5.333 1.00 0.00 N ATOM 1299 CA MET A 85 5.481 8.994 4.524 1.00 0.00 C ATOM 1300 C MET A 85 4.467 9.645 3.588 1.00 0.00 C ATOM 1301 O MET A 85 4.778 10.618 2.901 1.00 0.00 O ATOM 1302 CB MET A 85 6.636 8.404 3.711 1.00 0.00 C ATOM 1303 CG MET A 85 6.197 7.351 2.707 1.00 0.00 C ATOM 1304 SD MET A 85 7.380 7.136 1.364 1.00 0.00 S ATOM 1305 CE MET A 85 7.125 5.410 0.961 1.00 0.00 C ATOM 0 H MET A 85 4.771 7.052 4.871 1.00 0.00 H new ATOM 0 HA MET A 85 5.871 9.758 5.197 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.145 9.209 3.181 1.00 0.00 H new ATOM 0 HB3 MET A 85 7.362 7.963 4.394 1.00 0.00 H new ATOM 0 HG2 MET A 85 6.060 6.400 3.221 1.00 0.00 H new ATOM 0 HG3 MET A 85 5.229 7.632 2.292 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.047 4.856 1.134 1.00 0.00 H new ATOM 0 HE2 MET A 85 6.333 5.003 1.590 1.00 0.00 H new ATOM 0 HE3 MET A 85 6.839 5.319 -0.087 1.00 0.00 H new ATOM 1315 N ASP A 86 3.255 9.103 3.568 1.00 0.00 N ATOM 1316 CA ASP A 86 2.195 9.632 2.718 1.00 0.00 C ATOM 1317 C ASP A 86 2.673 9.771 1.276 1.00 0.00 C ATOM 1318 O ASP A 86 2.405 10.775 0.616 1.00 0.00 O ATOM 1319 CB ASP A 86 1.719 10.988 3.243 1.00 0.00 C ATOM 1320 CG ASP A 86 1.275 10.924 4.691 1.00 0.00 C ATOM 1321 OD1 ASP A 86 2.131 11.108 5.582 1.00 0.00 O ATOM 1322 OD2 ASP A 86 0.073 10.689 4.934 1.00 0.00 O ATOM 0 H ASP A 86 2.982 8.297 4.131 1.00 0.00 H new ATOM 0 HA ASP A 86 1.362 8.930 2.740 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.525 11.716 3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.892 11.343 2.628 1.00 0.00 H new ATOM 1327 N ALA A 87 3.384 8.757 0.794 1.00 0.00 N ATOM 1328 CA ALA A 87 3.899 8.766 -0.570 1.00 0.00 C ATOM 1329 C ALA A 87 4.009 7.350 -1.124 1.00 0.00 C ATOM 1330 O ALA A 87 4.536 6.454 -0.465 1.00 0.00 O ATOM 1331 CB ALA A 87 5.252 9.460 -0.619 1.00 0.00 C ATOM 0 H ALA A 87 3.616 7.919 1.327 1.00 0.00 H new ATOM 0 HA ALA A 87 3.197 9.319 -1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.624 9.459 -1.643 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.146 10.488 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.956 8.931 0.023 1.00 0.00 H new ATOM 1337 N ARG A 88 3.507 7.154 -2.339 1.00 0.00 N ATOM 1338 CA ARG A 88 3.547 5.846 -2.981 1.00 0.00 C ATOM 1339 C ARG A 88 4.979 5.329 -3.072 1.00 0.00 C ATOM 1340 O ARG A 88 5.833 5.946 -3.707 1.00 0.00 O ATOM 1341 CB ARG A 88 2.930 5.921 -4.379 1.00 0.00 C ATOM 1342 CG ARG A 88 2.826 4.573 -5.073 1.00 0.00 C ATOM 1343 CD ARG A 88 4.098 4.240 -5.837 1.00 0.00 C ATOM 1344 NE ARG A 88 4.009 2.948 -6.512 1.00 0.00 N ATOM 1345 CZ ARG A 88 4.770 2.605 -7.546 1.00 0.00 C ATOM 1346 NH1 ARG A 88 5.672 3.453 -8.019 1.00 0.00 N ATOM 1347 NH2 ARG A 88 4.629 1.411 -8.107 1.00 0.00 N ATOM 0 H ARG A 88 3.068 7.885 -2.899 1.00 0.00 H new ATOM 0 HA ARG A 88 2.967 5.152 -2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.935 6.359 -4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 88 3.528 6.592 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.630 3.796 -4.334 1.00 0.00 H new ATOM 0 HG3 ARG A 88 1.979 4.580 -5.759 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.294 5.020 -6.572 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.943 4.232 -5.148 1.00 0.00 H new ATOM 0 HE ARG A 88 3.325 2.272 -6.171 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.783 4.371 -7.589 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.255 3.187 -8.813 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.936 0.756 -7.745 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.213 1.148 -8.901 1.00 0.00 H new ATOM 1361 N ALA A 89 5.234 4.192 -2.433 1.00 0.00 N ATOM 1362 CA ALA A 89 6.562 3.591 -2.443 1.00 0.00 C ATOM 1363 C ALA A 89 6.672 2.521 -3.524 1.00 0.00 C ATOM 1364 O ALA A 89 5.664 2.016 -4.016 1.00 0.00 O ATOM 1365 CB ALA A 89 6.884 3.001 -1.078 1.00 0.00 C ATOM 0 H ALA A 89 4.538 3.669 -1.902 1.00 0.00 H new ATOM 0 HA ALA A 89 7.287 4.373 -2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.879 2.555 -1.100 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.856 3.789 -0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.149 2.235 -0.830 1.00 0.00 H new ATOM 1371 N GLY A 90 7.904 2.179 -3.889 1.00 0.00 N ATOM 1372 CA GLY A 90 8.123 1.172 -4.910 1.00 0.00 C ATOM 1373 C GLY A 90 7.870 -0.234 -4.401 1.00 0.00 C ATOM 1374 O GLY A 90 8.465 -0.658 -3.411 1.00 0.00 O ATOM 0 H GLY A 90 8.754 2.582 -3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.469 1.371 -5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 90 9.148 1.245 -5.274 1.00 0.00 H new ATOM 1378 N GLU A 91 6.983 -0.956 -5.079 1.00 0.00 N ATOM 1379 CA GLU A 91 6.652 -2.321 -4.687 1.00 0.00 C ATOM 1380 C GLU A 91 7.865 -3.236 -4.821 1.00 0.00 C ATOM 1381 O GLU A 91 7.998 -4.222 -4.096 1.00 0.00 O ATOM 1382 CB GLU A 91 5.500 -2.855 -5.541 1.00 0.00 C ATOM 1383 CG GLU A 91 4.194 -2.106 -5.339 1.00 0.00 C ATOM 1384 CD GLU A 91 4.075 -0.888 -6.235 1.00 0.00 C ATOM 1385 OE1 GLU A 91 4.514 0.203 -5.816 1.00 0.00 O ATOM 1386 OE2 GLU A 91 3.542 -1.027 -7.356 1.00 0.00 O ATOM 0 H GLU A 91 6.482 -0.619 -5.901 1.00 0.00 H new ATOM 0 HA GLU A 91 6.344 -2.306 -3.641 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.782 -2.799 -6.592 1.00 0.00 H new ATOM 0 HB3 GLU A 91 5.345 -3.908 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.359 -2.779 -5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 91 4.115 -1.795 -4.297 1.00 0.00 H new ATOM 1393 N THR A 92 8.751 -2.902 -5.756 1.00 0.00 N ATOM 1394 CA THR A 92 9.953 -3.693 -5.987 1.00 0.00 C ATOM 1395 C THR A 92 10.809 -3.773 -4.729 1.00 0.00 C ATOM 1396 O THR A 92 11.709 -4.607 -4.631 1.00 0.00 O ATOM 1397 CB THR A 92 10.798 -3.107 -7.134 1.00 0.00 C ATOM 1398 OG1 THR A 92 9.971 -2.864 -8.278 1.00 0.00 O ATOM 1399 CG2 THR A 92 11.929 -4.053 -7.511 1.00 0.00 C ATOM 0 H THR A 92 8.658 -2.089 -6.365 1.00 0.00 H new ATOM 0 HA THR A 92 9.624 -4.695 -6.263 1.00 0.00 H new ATOM 0 HB THR A 92 11.231 -2.166 -6.793 1.00 0.00 H new ATOM 0 HG1 THR A 92 10.516 -2.490 -9.002 1.00 0.00 H new ATOM 0 HG21 THR A 92 12.512 -3.618 -8.323 1.00 0.00 H new ATOM 0 HG22 THR A 92 12.573 -4.212 -6.646 1.00 0.00 H new ATOM 0 HG23 THR A 92 11.513 -5.007 -7.834 1.00 0.00 H new ATOM 1407 N MET A 93 10.523 -2.900 -3.768 1.00 0.00 N ATOM 1408 CA MET A 93 11.268 -2.875 -2.514 1.00 0.00 C ATOM 1409 C MET A 93 10.551 -3.687 -1.440 1.00 0.00 C ATOM 1410 O MET A 93 11.104 -3.942 -0.369 1.00 0.00 O ATOM 1411 CB MET A 93 11.457 -1.433 -2.038 1.00 0.00 C ATOM 1412 CG MET A 93 12.166 -0.547 -3.050 1.00 0.00 C ATOM 1413 SD MET A 93 12.772 0.988 -2.325 1.00 0.00 S ATOM 1414 CE MET A 93 11.504 2.137 -2.857 1.00 0.00 C ATOM 0 H MET A 93 9.782 -2.202 -3.833 1.00 0.00 H new ATOM 0 HA MET A 93 12.246 -3.323 -2.691 1.00 0.00 H new ATOM 0 HB2 MET A 93 10.481 -1.003 -1.811 1.00 0.00 H new ATOM 0 HB3 MET A 93 12.027 -1.437 -1.109 1.00 0.00 H new ATOM 0 HG2 MET A 93 13.003 -1.095 -3.483 1.00 0.00 H new ATOM 0 HG3 MET A 93 11.481 -0.314 -3.865 1.00 0.00 H new ATOM 0 HE1 MET A 93 11.738 3.135 -2.486 1.00 0.00 H new ATOM 0 HE2 MET A 93 11.464 2.156 -3.946 1.00 0.00 H new ATOM 0 HE3 MET A 93 10.538 1.821 -2.463 1.00 0.00 H new ATOM 1424 N TYR A 94 9.320 -4.090 -1.732 1.00 0.00 N ATOM 1425 CA TYR A 94 8.527 -4.871 -0.790 1.00 0.00 C ATOM 1426 C TYR A 94 7.851 -6.046 -1.490 1.00 0.00 C ATOM 1427 O TYR A 94 6.984 -6.709 -0.919 1.00 0.00 O ATOM 1428 CB TYR A 94 7.474 -3.987 -0.121 1.00 0.00 C ATOM 1429 CG TYR A 94 8.032 -2.697 0.437 1.00 0.00 C ATOM 1430 CD1 TYR A 94 8.390 -1.651 -0.404 1.00 0.00 C ATOM 1431 CD2 TYR A 94 8.202 -2.525 1.805 1.00 0.00 C ATOM 1432 CE1 TYR A 94 8.900 -0.471 0.101 1.00 0.00 C ATOM 1433 CE2 TYR A 94 8.710 -1.348 2.320 1.00 0.00 C ATOM 1434 CZ TYR A 94 9.058 -0.324 1.464 1.00 0.00 C ATOM 1435 OH TYR A 94 9.567 0.849 1.972 1.00 0.00 O ATOM 0 H TYR A 94 8.849 -3.889 -2.614 1.00 0.00 H new ATOM 0 HA TYR A 94 9.199 -5.264 -0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.695 -3.752 -0.846 1.00 0.00 H new ATOM 0 HB3 TYR A 94 7.001 -4.547 0.685 1.00 0.00 H new ATOM 0 HD1 TYR A 94 8.267 -1.762 -1.471 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.932 -3.326 2.478 1.00 0.00 H new ATOM 0 HE1 TYR A 94 9.174 0.332 -0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.834 -1.230 3.386 1.00 0.00 H new ATOM 0 HH TYR A 94 9.613 0.790 2.949 1.00 0.00 H new ATOM 1445 N LEU A 95 8.256 -6.300 -2.729 1.00 0.00 N ATOM 1446 CA LEU A 95 7.691 -7.396 -3.509 1.00 0.00 C ATOM 1447 C LEU A 95 7.704 -8.696 -2.711 1.00 0.00 C ATOM 1448 O LEU A 95 8.761 -9.164 -2.285 1.00 0.00 O ATOM 1449 CB LEU A 95 8.472 -7.576 -4.812 1.00 0.00 C ATOM 1450 CG LEU A 95 7.983 -6.756 -6.006 1.00 0.00 C ATOM 1451 CD1 LEU A 95 8.914 -6.937 -7.195 1.00 0.00 C ATOM 1452 CD2 LEU A 95 6.560 -7.149 -6.377 1.00 0.00 C ATOM 0 H LEU A 95 8.973 -5.762 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 95 6.656 -7.146 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.515 -7.322 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.445 -8.631 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 95 7.986 -5.703 -5.724 1.00 0.00 H new ATOM 0 HD11 LEU A 95 8.550 -6.346 -8.035 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.917 -6.606 -6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.943 -7.989 -7.477 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.229 -6.555 -7.229 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.531 -8.207 -6.639 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.900 -6.967 -5.529 1.00 0.00 H new ATOM 1464 N TYR A 96 6.525 -9.275 -2.514 1.00 0.00 N ATOM 1465 CA TYR A 96 6.401 -10.521 -1.767 1.00 0.00 C ATOM 1466 C TYR A 96 6.891 -11.704 -2.596 1.00 0.00 C ATOM 1467 O TYR A 96 6.101 -12.392 -3.242 1.00 0.00 O ATOM 1468 CB TYR A 96 4.948 -10.745 -1.346 1.00 0.00 C ATOM 1469 CG TYR A 96 4.731 -12.031 -0.580 1.00 0.00 C ATOM 1470 CD1 TYR A 96 5.709 -12.528 0.273 1.00 0.00 C ATOM 1471 CD2 TYR A 96 3.548 -12.748 -0.709 1.00 0.00 C ATOM 1472 CE1 TYR A 96 5.515 -13.702 0.974 1.00 0.00 C ATOM 1473 CE2 TYR A 96 3.345 -13.923 -0.010 1.00 0.00 C ATOM 1474 CZ TYR A 96 4.332 -14.395 0.830 1.00 0.00 C ATOM 1475 OH TYR A 96 4.134 -15.566 1.526 1.00 0.00 O ATOM 0 H TYR A 96 5.642 -8.902 -2.861 1.00 0.00 H new ATOM 0 HA TYR A 96 7.023 -10.444 -0.875 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.623 -9.906 -0.730 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.318 -10.751 -2.235 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.636 -11.987 0.390 1.00 0.00 H new ATOM 0 HD2 TYR A 96 2.774 -12.381 -1.367 1.00 0.00 H new ATOM 0 HE1 TYR A 96 6.286 -14.075 1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 96 2.419 -14.468 -0.121 1.00 0.00 H new ATOM 0 HH TYR A 96 4.972 -16.073 1.559 1.00 0.00 H new ATOM 1485 N GLU A 97 8.200 -11.935 -2.570 1.00 0.00 N ATOM 1486 CA GLU A 97 8.796 -13.035 -3.319 1.00 0.00 C ATOM 1487 C GLU A 97 9.114 -14.210 -2.399 1.00 0.00 C ATOM 1488 O GLU A 97 10.089 -14.933 -2.610 1.00 0.00 O ATOM 1489 CB GLU A 97 10.069 -12.568 -4.028 1.00 0.00 C ATOM 1490 CG GLU A 97 9.808 -11.871 -5.352 1.00 0.00 C ATOM 1491 CD GLU A 97 10.979 -11.021 -5.805 1.00 0.00 C ATOM 1492 OE1 GLU A 97 12.031 -11.597 -6.155 1.00 0.00 O ATOM 1493 OE2 GLU A 97 10.844 -9.780 -5.809 1.00 0.00 O ATOM 0 H GLU A 97 8.867 -11.376 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 97 8.074 -13.366 -4.066 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.612 -11.889 -3.371 1.00 0.00 H new ATOM 0 HB3 GLU A 97 10.715 -13.429 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 97 9.590 -12.618 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.922 -11.243 -5.259 1.00 0.00 H new ATOM 1500 N LYS A 98 8.285 -14.396 -1.377 1.00 0.00 N ATOM 1501 CA LYS A 98 8.476 -15.482 -0.424 1.00 0.00 C ATOM 1502 C LYS A 98 7.174 -16.245 -0.202 1.00 0.00 C ATOM 1503 O LYS A 98 6.881 -16.680 0.911 1.00 0.00 O ATOM 1504 CB LYS A 98 8.993 -14.935 0.908 1.00 0.00 C ATOM 1505 CG LYS A 98 10.309 -14.186 0.788 1.00 0.00 C ATOM 1506 CD LYS A 98 11.008 -14.070 2.132 1.00 0.00 C ATOM 1507 CE LYS A 98 11.881 -15.284 2.414 1.00 0.00 C ATOM 1508 NZ LYS A 98 12.375 -15.297 3.819 1.00 0.00 N ATOM 0 H LYS A 98 7.474 -13.808 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 98 9.214 -16.169 -0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 98 8.243 -14.268 1.333 1.00 0.00 H new ATOM 0 HB3 LYS A 98 9.118 -15.762 1.607 1.00 0.00 H new ATOM 0 HG2 LYS A 98 10.959 -14.702 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 98 10.127 -13.190 0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 98 11.621 -13.169 2.148 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.264 -13.964 2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.312 -16.193 2.221 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.730 -15.288 1.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.966 -16.139 3.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 12.939 -14.442 3.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.565 -15.319 4.471 1.00 0.00 H new ATOM 1522 N ALA A 99 6.397 -16.405 -1.268 1.00 0.00 N ATOM 1523 CA ALA A 99 5.129 -17.118 -1.189 1.00 0.00 C ATOM 1524 C ALA A 99 5.174 -18.410 -1.998 1.00 0.00 C ATOM 1525 O ALA A 99 4.846 -19.482 -1.492 1.00 0.00 O ATOM 1526 CB ALA A 99 3.992 -16.230 -1.674 1.00 0.00 C ATOM 0 H ALA A 99 6.624 -16.050 -2.197 1.00 0.00 H new ATOM 0 HA ALA A 99 4.952 -17.379 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 99 3.051 -16.776 -1.609 1.00 0.00 H new ATOM 0 HB2 ALA A 99 3.937 -15.337 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.173 -15.940 -2.709 1.00 0.00 H new ATOM 1532 N ASN A 100 5.583 -18.300 -3.258 1.00 0.00 N ATOM 1533 CA ASN A 100 5.670 -19.461 -4.137 1.00 0.00 C ATOM 1534 C ASN A 100 6.823 -19.309 -5.125 1.00 0.00 C ATOM 1535 O ASN A 100 7.324 -18.206 -5.348 1.00 0.00 O ATOM 1536 CB ASN A 100 4.355 -19.652 -4.896 1.00 0.00 C ATOM 1537 CG ASN A 100 4.161 -21.081 -5.366 1.00 0.00 C ATOM 1538 OD1 ASN A 100 4.229 -21.367 -6.561 1.00 0.00 O ATOM 1539 ND2 ASN A 100 3.918 -21.985 -4.424 1.00 0.00 N ATOM 0 H ASN A 100 5.859 -17.420 -3.693 1.00 0.00 H new ATOM 0 HA ASN A 100 5.856 -20.340 -3.520 1.00 0.00 H new ATOM 0 HB2 ASN A 100 3.523 -19.368 -4.252 1.00 0.00 H new ATOM 0 HB3 ASN A 100 4.335 -18.983 -5.757 1.00 0.00 H new ATOM 0 HD21 ASN A 100 3.779 -22.963 -4.679 1.00 0.00 H new ATOM 0 HD22 ASN A 100 3.871 -21.702 -3.445 1.00 0.00 H new ATOM 1546 N THR A 101 7.239 -20.425 -5.717 1.00 0.00 N ATOM 1547 CA THR A 101 8.332 -20.417 -6.680 1.00 0.00 C ATOM 1548 C THR A 101 8.085 -21.421 -7.800 1.00 0.00 C ATOM 1549 O THR A 101 7.525 -22.497 -7.590 1.00 0.00 O ATOM 1550 CB THR A 101 9.679 -20.738 -6.005 1.00 0.00 C ATOM 1551 OG1 THR A 101 9.572 -21.952 -5.252 1.00 0.00 O ATOM 1552 CG2 THR A 101 10.109 -19.603 -5.089 1.00 0.00 C ATOM 0 H THR A 101 6.835 -21.346 -5.546 1.00 0.00 H new ATOM 0 HA THR A 101 8.376 -19.412 -7.100 1.00 0.00 H new ATOM 0 HB THR A 101 10.432 -20.859 -6.784 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.433 -22.150 -4.827 1.00 0.00 H new ATOM 0 HG21 THR A 101 11.063 -19.852 -4.624 1.00 0.00 H new ATOM 0 HG22 THR A 101 10.217 -18.687 -5.670 1.00 0.00 H new ATOM 0 HG23 THR A 101 9.356 -19.454 -4.315 1.00 0.00 H new ATOM 1560 N PRO A 102 8.513 -21.065 -9.021 1.00 0.00 N ATOM 1561 CA PRO A 102 8.350 -21.923 -10.198 1.00 0.00 C ATOM 1562 C PRO A 102 9.238 -23.161 -10.141 1.00 0.00 C ATOM 1563 O PRO A 102 8.823 -24.251 -10.531 1.00 0.00 O ATOM 1564 CB PRO A 102 8.770 -21.016 -11.358 1.00 0.00 C ATOM 1565 CG PRO A 102 9.691 -20.019 -10.745 1.00 0.00 C ATOM 1566 CD PRO A 102 9.189 -19.797 -9.345 1.00 0.00 C ATOM 0 HA PRO A 102 7.334 -22.307 -10.285 1.00 0.00 H new ATOM 0 HB2 PRO A 102 9.268 -21.584 -12.144 1.00 0.00 H new ATOM 0 HB3 PRO A 102 7.907 -20.530 -11.813 1.00 0.00 H new ATOM 0 HG2 PRO A 102 10.717 -20.388 -10.738 1.00 0.00 H new ATOM 0 HG3 PRO A 102 9.691 -19.088 -11.312 1.00 0.00 H new ATOM 0 HD2 PRO A 102 10.005 -19.589 -8.654 1.00 0.00 H new ATOM 0 HD3 PRO A 102 8.503 -18.951 -9.293 1.00 0.00 H new ATOM 1574 N GLU A 103 10.461 -22.984 -9.652 1.00 0.00 N ATOM 1575 CA GLU A 103 11.408 -24.088 -9.544 1.00 0.00 C ATOM 1576 C GLU A 103 10.927 -25.120 -8.528 1.00 0.00 C ATOM 1577 O GLU A 103 10.445 -24.768 -7.451 1.00 0.00 O ATOM 1578 CB GLU A 103 12.790 -23.567 -9.144 1.00 0.00 C ATOM 1579 CG GLU A 103 12.804 -22.842 -7.809 1.00 0.00 C ATOM 1580 CD GLU A 103 14.171 -22.286 -7.462 1.00 0.00 C ATOM 1581 OE1 GLU A 103 15.146 -23.067 -7.464 1.00 0.00 O ATOM 1582 OE2 GLU A 103 14.267 -21.072 -7.188 1.00 0.00 O ATOM 0 H GLU A 103 10.820 -22.087 -9.324 1.00 0.00 H new ATOM 0 HA GLU A 103 11.478 -24.569 -10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 103 13.486 -24.405 -9.100 1.00 0.00 H new ATOM 0 HB3 GLU A 103 13.153 -22.891 -9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 103 12.080 -22.027 -7.835 1.00 0.00 H new ATOM 0 HG3 GLU A 103 12.485 -23.528 -7.024 1.00 0.00 H new ATOM 1589 N SER A 104 11.061 -26.395 -8.879 1.00 0.00 N ATOM 1590 CA SER A 104 10.637 -27.478 -8.000 1.00 0.00 C ATOM 1591 C SER A 104 11.725 -27.812 -6.985 1.00 0.00 C ATOM 1592 O SER A 104 11.510 -27.730 -5.776 1.00 0.00 O ATOM 1593 CB SER A 104 10.289 -28.722 -8.820 1.00 0.00 C ATOM 1594 OG SER A 104 10.002 -29.824 -7.977 1.00 0.00 O ATOM 0 H SER A 104 11.460 -26.703 -9.766 1.00 0.00 H new ATOM 0 HA SER A 104 9.750 -27.148 -7.460 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.429 -28.513 -9.456 1.00 0.00 H new ATOM 0 HB3 SER A 104 11.120 -28.971 -9.479 1.00 0.00 H new ATOM 0 HG SER A 104 9.781 -30.606 -8.525 1.00 0.00 H new ATOM 1600 N GLY A 105 12.898 -28.190 -7.486 1.00 0.00 N ATOM 1601 CA GLY A 105 14.003 -28.532 -6.611 1.00 0.00 C ATOM 1602 C GLY A 105 15.300 -27.866 -7.028 1.00 0.00 C ATOM 1603 O GLY A 105 15.580 -26.723 -6.667 1.00 0.00 O ATOM 0 H GLY A 105 13.102 -28.265 -8.483 1.00 0.00 H new ATOM 0 HA2 GLY A 105 13.759 -28.238 -5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 105 14.138 -29.614 -6.607 1.00 0.00 H new ATOM 1607 N PRO A 106 16.118 -28.591 -7.806 1.00 0.00 N ATOM 1608 CA PRO A 106 17.406 -28.085 -8.288 1.00 0.00 C ATOM 1609 C PRO A 106 17.243 -26.977 -9.324 1.00 0.00 C ATOM 1610 O PRO A 106 16.230 -26.911 -10.020 1.00 0.00 O ATOM 1611 CB PRO A 106 18.057 -29.317 -8.921 1.00 0.00 C ATOM 1612 CG PRO A 106 16.915 -30.192 -9.308 1.00 0.00 C ATOM 1613 CD PRO A 106 15.848 -29.961 -8.274 1.00 0.00 C ATOM 0 HA PRO A 106 17.995 -27.640 -7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 106 18.659 -29.045 -9.788 1.00 0.00 H new ATOM 0 HB3 PRO A 106 18.720 -29.820 -8.217 1.00 0.00 H new ATOM 0 HG2 PRO A 106 16.553 -29.943 -10.305 1.00 0.00 H new ATOM 0 HG3 PRO A 106 17.216 -31.239 -9.331 1.00 0.00 H new ATOM 0 HD2 PRO A 106 14.849 -30.050 -8.701 1.00 0.00 H new ATOM 0 HD3 PRO A 106 15.913 -30.684 -7.461 1.00 0.00 H new ATOM 1621 N SER A 107 18.245 -26.110 -9.419 1.00 0.00 N ATOM 1622 CA SER A 107 18.211 -25.003 -10.368 1.00 0.00 C ATOM 1623 C SER A 107 17.938 -25.508 -11.782 1.00 0.00 C ATOM 1624 O SER A 107 18.414 -26.573 -12.175 1.00 0.00 O ATOM 1625 CB SER A 107 19.533 -24.234 -10.335 1.00 0.00 C ATOM 1626 OG SER A 107 19.692 -23.547 -9.106 1.00 0.00 O ATOM 0 H SER A 107 19.091 -26.152 -8.851 1.00 0.00 H new ATOM 0 HA SER A 107 17.402 -24.333 -10.078 1.00 0.00 H new ATOM 0 HB2 SER A 107 20.363 -24.925 -10.479 1.00 0.00 H new ATOM 0 HB3 SER A 107 19.564 -23.522 -11.160 1.00 0.00 H new ATOM 0 HG SER A 107 20.545 -23.065 -9.109 1.00 0.00 H new ATOM 1632 N SER A 108 17.168 -24.735 -12.541 1.00 0.00 N ATOM 1633 CA SER A 108 16.828 -25.104 -13.910 1.00 0.00 C ATOM 1634 C SER A 108 17.991 -24.818 -14.855 1.00 0.00 C ATOM 1635 O SER A 108 18.499 -25.718 -15.523 1.00 0.00 O ATOM 1636 CB SER A 108 15.583 -24.344 -14.371 1.00 0.00 C ATOM 1637 OG SER A 108 15.774 -22.943 -14.271 1.00 0.00 O ATOM 0 H SER A 108 16.768 -23.849 -12.231 1.00 0.00 H new ATOM 0 HA SER A 108 16.621 -26.174 -13.931 1.00 0.00 H new ATOM 0 HB2 SER A 108 15.352 -24.610 -15.403 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.727 -24.642 -13.766 1.00 0.00 H new ATOM 0 HG SER A 108 14.965 -22.480 -14.573 1.00 0.00 H new ATOM 1643 N GLY A 109 18.408 -23.556 -14.905 1.00 0.00 N ATOM 1644 CA GLY A 109 19.508 -23.173 -15.771 1.00 0.00 C ATOM 1645 C GLY A 109 19.273 -23.564 -17.216 1.00 0.00 C ATOM 1646 O GLY A 109 18.845 -22.743 -18.027 1.00 0.00 O ATOM 0 H GLY A 109 18.004 -22.793 -14.362 1.00 0.00 H new ATOM 0 HA2 GLY A 109 19.656 -22.095 -15.709 1.00 0.00 H new ATOM 0 HA3 GLY A 109 20.426 -23.642 -15.416 1.00 0.00 H new TER 1650 GLY A 109