USER MOD reduce.3.24.130724 H: found=0, std=0, add=1100, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1100 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 98 LYS NZ :NH3+ 142:sc= -0.259 (180deg=-0.718) USER MOD Set 1.2: A 102 LYS NZ :NH3+ 140:sc= -1.39! (180deg=-2.74!) USER MOD Set 2.1: A 50 GLN :FLIP amide:sc= -3.62! C(o=-18!,f=-11!) USER MOD Set 2.2: A 51 GLN :FLIP amide:sc= -7.18! C(o=-15!,f=-11!) USER MOD Set 3.1: A 31 TYR OH : rot 70:sc= -2.85! USER MOD Set 3.2: A 94 THR OG1 : rot -80:sc= -0.332! USER MOD Set 4.1: A 15 ASN :FLIP amide:sc= -7.89! C(o=-15!,f=-13!) USER MOD Set 4.2: A 107 ASN :FLIP amide:sc= -5.19! C(o=-18!,f=-13!) USER MOD Set 5.1: A 3 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 96 THR OG1 : rot 84:sc= 0.974 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0537 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -145:sc= -0.235 (180deg=-1.39!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot -91:sc= -1.85! USER MOD Single : A 14 TYR OH : rot 130:sc= -0.997 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 24:sc= -0.69 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.034 USER MOD Single : A 41 GLN :FLIP amide:sc= -6.73! C(o=-13!,f=-6.7!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.8) USER MOD Single : A 47 HIS : no HD1:sc= -0.202 X(o=-0.2,f=-0.11) USER MOD Single : A 52 CYS SG : rot 180:sc= 0.0685 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.47 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -36:sc= 0.208 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 90 GLN :FLIP amide:sc= -6.38! C(o=-11!,f=-6.4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 80:sc= -0.328! USER MOD Single : A 106 GLN : amide:sc= -0.0227 X(o=-0.023,f=0) USER MOD Single : A 110 LYS NZ :NH3+ -146:sc= -0.344 (180deg=-1.78!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 150:sc= -0.341 (180deg=-1.96!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 ASN :FLIP amide:sc= -1.28 F(o=-2.9!,f=-1.3) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 140 GLN :FLIP amide:sc=-0.00315 F(o=-1.6!,f=-0.0032) USER MOD Single : A 141 SER OG : rot 180:sc= -0.0134 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.483 -15.420 6.740 1.00 0.00 N ATOM 2 CA MET A 1 -14.021 -16.787 7.114 1.00 0.00 C ATOM 3 C MET A 1 -12.903 -17.225 6.165 1.00 0.00 C ATOM 4 O MET A 1 -12.810 -16.761 5.045 1.00 0.00 O ATOM 5 CB MET A 1 -15.191 -17.767 7.009 1.00 0.00 C ATOM 6 CG MET A 1 -14.904 -18.999 7.870 1.00 0.00 C ATOM 7 SD MET A 1 -16.307 -20.139 7.780 1.00 0.00 S ATOM 8 CE MET A 1 -15.460 -21.596 8.440 1.00 0.00 C ATOM 0 H1 MET A 1 -14.371 -14.781 7.553 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.916 -15.068 5.943 1.00 0.00 H new ATOM 0 H3 MET A 1 -15.485 -15.456 6.463 1.00 0.00 H new ATOM 0 HA MET A 1 -13.646 -16.776 8.137 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.112 -17.287 7.339 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.339 -18.063 5.970 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.997 -19.494 7.524 1.00 0.00 H new ATOM 0 HG3 MET A 1 -14.730 -18.701 8.904 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.154 -22.436 8.474 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.616 -21.848 7.798 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.100 -21.383 9.446 1.00 0.00 H new ATOM 20 N ALA A 2 -12.055 -18.114 6.603 1.00 0.00 N ATOM 21 CA ALA A 2 -10.945 -18.580 5.725 1.00 0.00 C ATOM 22 C ALA A 2 -9.876 -17.489 5.632 1.00 0.00 C ATOM 23 O ALA A 2 -8.737 -17.691 6.002 1.00 0.00 O ATOM 24 CB ALA A 2 -11.491 -18.879 4.327 1.00 0.00 C ATOM 0 H ALA A 2 -12.083 -18.538 7.530 1.00 0.00 H new ATOM 0 HA ALA A 2 -10.506 -19.485 6.145 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -10.679 -19.220 3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.253 -19.656 4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -11.931 -17.974 3.907 1.00 0.00 H new ATOM 30 N THR A 3 -10.235 -16.334 5.143 1.00 0.00 N ATOM 31 CA THR A 3 -9.238 -15.233 5.026 1.00 0.00 C ATOM 32 C THR A 3 -9.249 -14.399 6.309 1.00 0.00 C ATOM 33 O THR A 3 -10.252 -14.296 6.987 1.00 0.00 O ATOM 34 CB THR A 3 -9.598 -14.341 3.836 1.00 0.00 C ATOM 35 OG1 THR A 3 -10.074 -15.148 2.768 1.00 0.00 O ATOM 36 CG2 THR A 3 -8.360 -13.568 3.382 1.00 0.00 C ATOM 0 H THR A 3 -11.175 -16.105 4.820 1.00 0.00 H new ATOM 0 HA THR A 3 -8.245 -15.657 4.874 1.00 0.00 H new ATOM 0 HB THR A 3 -10.374 -13.636 4.132 1.00 0.00 H new ATOM 0 HG1 THR A 3 -10.307 -14.578 2.006 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.618 -12.933 2.534 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.997 -12.949 4.202 1.00 0.00 H new ATOM 0 HG23 THR A 3 -7.581 -14.270 3.085 1.00 0.00 H new ATOM 44 N LYS A 4 -8.140 -13.801 6.648 1.00 0.00 N ATOM 45 CA LYS A 4 -8.086 -12.975 7.887 1.00 0.00 C ATOM 46 C LYS A 4 -7.296 -11.694 7.611 1.00 0.00 C ATOM 47 O LYS A 4 -6.168 -11.736 7.163 1.00 0.00 O ATOM 48 CB LYS A 4 -7.401 -13.769 9.000 1.00 0.00 C ATOM 49 CG LYS A 4 -8.396 -14.021 10.135 1.00 0.00 C ATOM 50 CD LYS A 4 -9.545 -14.893 9.623 1.00 0.00 C ATOM 51 CE LYS A 4 -10.017 -15.824 10.741 1.00 0.00 C ATOM 52 NZ LYS A 4 -8.893 -16.715 11.152 1.00 0.00 N ATOM 0 H LYS A 4 -7.269 -13.849 6.120 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.099 -12.717 8.197 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.031 -14.717 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.537 -13.219 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.896 -14.513 10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.784 -13.074 10.510 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.370 -14.265 9.286 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.217 -15.477 8.763 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.363 -15.240 11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.863 -16.421 10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.268 -17.651 11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.223 -16.815 10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.404 -16.301 11.971 1.00 0.00 H new ATOM 66 N ILE A 5 -7.881 -10.557 7.875 1.00 0.00 N ATOM 67 CA ILE A 5 -7.168 -9.273 7.628 1.00 0.00 C ATOM 68 C ILE A 5 -6.755 -8.647 8.963 1.00 0.00 C ATOM 69 O ILE A 5 -7.513 -8.629 9.912 1.00 0.00 O ATOM 70 CB ILE A 5 -8.098 -8.313 6.885 1.00 0.00 C ATOM 71 CG1 ILE A 5 -7.364 -6.998 6.616 1.00 0.00 C ATOM 72 CG2 ILE A 5 -9.337 -8.037 7.739 1.00 0.00 C ATOM 73 CD1 ILE A 5 -7.346 -6.724 5.112 1.00 0.00 C ATOM 0 H ILE A 5 -8.824 -10.463 8.252 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.278 -9.463 7.027 1.00 0.00 H new ATOM 0 HB ILE A 5 -8.401 -8.762 5.939 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.858 -6.180 7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.345 -7.053 6.999 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -9.999 -7.353 7.209 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -9.861 -8.973 7.932 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -9.034 -7.589 8.685 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.823 -5.787 4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.833 -7.538 4.600 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.369 -6.651 4.743 1.00 0.00 H new ATOM 85 N ASP A 6 -5.557 -8.132 9.042 1.00 0.00 N ATOM 86 CA ASP A 6 -5.098 -7.507 10.314 1.00 0.00 C ATOM 87 C ASP A 6 -5.964 -6.284 10.620 1.00 0.00 C ATOM 88 O ASP A 6 -6.405 -6.088 11.735 1.00 0.00 O ATOM 89 CB ASP A 6 -3.636 -7.075 10.172 1.00 0.00 C ATOM 90 CG ASP A 6 -3.198 -6.332 11.435 1.00 0.00 C ATOM 91 OD1 ASP A 6 -3.569 -5.180 11.579 1.00 0.00 O ATOM 92 OD2 ASP A 6 -2.497 -6.929 12.236 1.00 0.00 O ATOM 0 H ASP A 6 -4.878 -8.118 8.281 1.00 0.00 H new ATOM 0 HA ASP A 6 -5.186 -8.228 11.127 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -3.002 -7.947 10.012 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.519 -6.432 9.300 1.00 0.00 H new ATOM 97 N LYS A 7 -6.221 -5.468 9.632 1.00 0.00 N ATOM 98 CA LYS A 7 -7.070 -4.261 9.849 1.00 0.00 C ATOM 99 C LYS A 7 -6.386 -3.303 10.829 1.00 0.00 C ATOM 100 O LYS A 7 -6.259 -2.123 10.570 1.00 0.00 O ATOM 101 CB LYS A 7 -8.430 -4.684 10.416 1.00 0.00 C ATOM 102 CG LYS A 7 -9.536 -4.358 9.409 1.00 0.00 C ATOM 103 CD LYS A 7 -10.903 -4.523 10.076 1.00 0.00 C ATOM 104 CE LYS A 7 -10.950 -5.850 10.836 1.00 0.00 C ATOM 105 NZ LYS A 7 -12.366 -6.204 11.134 1.00 0.00 N ATOM 0 H LYS A 7 -5.877 -5.587 8.679 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.212 -3.753 8.895 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.427 -5.752 10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.619 -4.167 11.357 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.419 -3.338 9.043 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.460 -5.017 8.544 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.087 -3.695 10.760 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.691 -4.496 9.323 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -10.485 -6.637 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.381 -5.771 11.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.397 -7.106 11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -12.796 -5.457 11.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.895 -6.297 10.244 1.00 0.00 H new ATOM 119 N GLU A 8 -5.949 -3.797 11.955 1.00 0.00 N ATOM 120 CA GLU A 8 -5.282 -2.909 12.948 1.00 0.00 C ATOM 121 C GLU A 8 -4.163 -2.118 12.267 1.00 0.00 C ATOM 122 O GLU A 8 -4.066 -0.915 12.408 1.00 0.00 O ATOM 123 CB GLU A 8 -4.689 -3.759 14.075 1.00 0.00 C ATOM 124 CG GLU A 8 -5.703 -3.877 15.214 1.00 0.00 C ATOM 125 CD GLU A 8 -5.216 -4.915 16.226 1.00 0.00 C ATOM 126 OE1 GLU A 8 -5.552 -6.077 16.062 1.00 0.00 O ATOM 127 OE2 GLU A 8 -4.516 -4.531 17.148 1.00 0.00 O ATOM 0 H GLU A 8 -6.025 -4.776 12.230 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.016 -2.215 13.359 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.431 -4.749 13.700 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.767 -3.306 14.440 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.832 -2.911 15.702 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.677 -4.167 14.819 1.00 0.00 H new ATOM 134 N ALA A 9 -3.313 -2.783 11.533 1.00 0.00 N ATOM 135 CA ALA A 9 -2.198 -2.066 10.851 1.00 0.00 C ATOM 136 C ALA A 9 -2.761 -1.045 9.860 1.00 0.00 C ATOM 137 O ALA A 9 -2.645 0.150 10.053 1.00 0.00 O ATOM 138 CB ALA A 9 -1.331 -3.078 10.099 1.00 0.00 C ATOM 0 H ALA A 9 -3.342 -3.790 11.376 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.597 -1.546 11.597 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.514 -2.557 9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.922 -3.802 10.804 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.938 -3.597 9.357 1.00 0.00 H new ATOM 144 N CYS A 10 -3.361 -1.503 8.796 1.00 0.00 N ATOM 145 CA CYS A 10 -3.921 -0.558 7.788 1.00 0.00 C ATOM 146 C CYS A 10 -4.709 0.553 8.488 1.00 0.00 C ATOM 147 O CYS A 10 -4.347 1.709 8.428 1.00 0.00 O ATOM 148 CB CYS A 10 -4.849 -1.318 6.839 1.00 0.00 C ATOM 149 SG CYS A 10 -4.117 -2.925 6.440 1.00 0.00 S ATOM 0 H CYS A 10 -3.488 -2.492 8.581 1.00 0.00 H new ATOM 0 HA CYS A 10 -3.101 -0.112 7.224 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -5.826 -1.456 7.302 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -5.006 -0.741 5.927 1.00 0.00 H new ATOM 0 HG CYS A 10 -3.382 -2.814 5.374 1.00 0.00 H new ATOM 155 N ARG A 11 -5.793 0.221 9.135 1.00 0.00 N ATOM 156 CA ARG A 11 -6.606 1.272 9.813 1.00 0.00 C ATOM 157 C ARG A 11 -5.692 2.232 10.582 1.00 0.00 C ATOM 158 O ARG A 11 -5.696 3.425 10.350 1.00 0.00 O ATOM 159 CB ARG A 11 -7.583 0.612 10.789 1.00 0.00 C ATOM 160 CG ARG A 11 -8.571 1.663 11.306 1.00 0.00 C ATOM 161 CD ARG A 11 -8.910 1.394 12.777 1.00 0.00 C ATOM 162 NE ARG A 11 -8.829 -0.073 13.070 1.00 0.00 N ATOM 163 CZ ARG A 11 -9.430 -0.952 12.310 1.00 0.00 C ATOM 164 NH1 ARG A 11 -10.251 -0.566 11.373 1.00 0.00 N ATOM 165 NH2 ARG A 11 -9.246 -2.225 12.525 1.00 0.00 N ATOM 0 H ARG A 11 -6.151 -0.730 9.224 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.159 1.832 9.059 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.121 -0.196 10.293 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.038 0.168 11.622 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.141 2.659 11.201 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.481 1.643 10.706 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.220 1.939 13.422 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.912 1.761 12.999 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.295 -0.393 13.878 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.429 0.428 11.228 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.715 -1.258 10.785 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.636 -2.531 13.283 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.712 -2.914 11.935 1.00 0.00 H new ATOM 179 N ALA A 12 -4.919 1.727 11.502 1.00 0.00 N ATOM 180 CA ALA A 12 -4.017 2.615 12.292 1.00 0.00 C ATOM 181 C ALA A 12 -3.108 3.411 11.351 1.00 0.00 C ATOM 182 O ALA A 12 -2.919 4.599 11.520 1.00 0.00 O ATOM 183 CB ALA A 12 -3.158 1.762 13.227 1.00 0.00 C ATOM 0 H ALA A 12 -4.872 0.737 11.742 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.621 3.309 12.876 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.498 2.408 13.805 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.803 1.203 13.904 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -2.560 1.066 12.638 1.00 0.00 H new ATOM 189 N ALA A 13 -2.533 2.771 10.371 1.00 0.00 N ATOM 190 CA ALA A 13 -1.628 3.501 9.437 1.00 0.00 C ATOM 191 C ALA A 13 -2.449 4.346 8.458 1.00 0.00 C ATOM 192 O ALA A 13 -1.934 5.243 7.819 1.00 0.00 O ATOM 193 CB ALA A 13 -0.787 2.491 8.655 1.00 0.00 C ATOM 0 H ALA A 13 -2.650 1.777 10.176 1.00 0.00 H new ATOM 0 HA ALA A 13 -0.977 4.158 10.013 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.124 3.021 7.971 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.192 1.898 9.349 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.444 1.833 8.086 1.00 0.00 H new ATOM 199 N TYR A 14 -3.717 4.070 8.331 1.00 0.00 N ATOM 200 CA TYR A 14 -4.560 4.860 7.390 1.00 0.00 C ATOM 201 C TYR A 14 -4.835 6.241 7.986 1.00 0.00 C ATOM 202 O TYR A 14 -4.601 7.256 7.361 1.00 0.00 O ATOM 203 CB TYR A 14 -5.886 4.134 7.160 1.00 0.00 C ATOM 204 CG TYR A 14 -5.748 3.171 6.003 1.00 0.00 C ATOM 205 CD1 TYR A 14 -4.538 2.499 5.786 1.00 0.00 C ATOM 206 CD2 TYR A 14 -6.833 2.950 5.147 1.00 0.00 C ATOM 207 CE1 TYR A 14 -4.415 1.607 4.715 1.00 0.00 C ATOM 208 CE2 TYR A 14 -6.710 2.058 4.076 1.00 0.00 C ATOM 209 CZ TYR A 14 -5.501 1.386 3.860 1.00 0.00 C ATOM 210 OH TYR A 14 -5.380 0.507 2.804 1.00 0.00 O ATOM 0 H TYR A 14 -4.206 3.332 8.838 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.036 4.971 6.441 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.177 3.595 8.061 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.675 4.856 6.952 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.700 2.670 6.446 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.766 3.468 5.313 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.482 1.089 4.548 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.548 1.888 3.416 1.00 0.00 H new ATOM 0 HH TYR A 14 -6.132 -0.121 2.813 1.00 0.00 H new ATOM 220 N ASN A 15 -5.331 6.287 9.192 1.00 0.00 N ATOM 221 CA ASN A 15 -5.622 7.602 9.826 1.00 0.00 C ATOM 222 C ASN A 15 -4.306 8.291 10.196 1.00 0.00 C ATOM 223 O ASN A 15 -4.275 9.465 10.505 1.00 0.00 O ATOM 224 CB ASN A 15 -6.457 7.382 11.090 1.00 0.00 C ATOM 225 CG ASN A 15 -7.869 6.940 10.700 1.00 0.00 C ATOM 226 OD1 ASN A 15 -8.024 5.912 9.909 1.00 0.00 O flip ATOM 227 ND2 ASN A 15 -8.841 7.536 11.119 1.00 0.00 N flip ATOM 0 H ASN A 15 -5.547 5.471 9.765 1.00 0.00 H new ATOM 0 HA ASN A 15 -6.176 8.230 9.128 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.989 6.626 11.720 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -6.501 8.301 11.674 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -8.720 8.339 11.737 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.778 7.234 10.853 1.00 0.00 H new ATOM 234 N LEU A 16 -3.220 7.567 10.168 1.00 0.00 N ATOM 235 CA LEU A 16 -1.908 8.180 10.517 1.00 0.00 C ATOM 236 C LEU A 16 -1.480 9.141 9.407 1.00 0.00 C ATOM 237 O LEU A 16 -1.088 10.262 9.661 1.00 0.00 O ATOM 238 CB LEU A 16 -0.856 7.078 10.672 1.00 0.00 C ATOM 239 CG LEU A 16 0.240 7.549 11.629 1.00 0.00 C ATOM 240 CD1 LEU A 16 -0.213 7.329 13.073 1.00 0.00 C ATOM 241 CD2 LEU A 16 1.519 6.749 11.370 1.00 0.00 C ATOM 0 H LEU A 16 -3.185 6.579 9.919 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.002 8.729 11.454 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.320 6.169 11.053 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.425 6.833 9.701 1.00 0.00 H new ATOM 0 HG LEU A 16 0.433 8.609 11.467 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.568 7.665 13.755 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.125 7.896 13.259 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.406 6.269 13.236 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.301 7.083 12.051 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.324 5.689 11.533 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.843 6.904 10.341 1.00 0.00 H new ATOM 253 N VAL A 17 -1.551 8.712 8.177 1.00 0.00 N ATOM 254 CA VAL A 17 -1.146 9.604 7.053 1.00 0.00 C ATOM 255 C VAL A 17 -2.097 10.800 6.980 1.00 0.00 C ATOM 256 O VAL A 17 -1.827 11.782 6.318 1.00 0.00 O ATOM 257 CB VAL A 17 -1.202 8.825 5.737 1.00 0.00 C ATOM 258 CG1 VAL A 17 -0.110 7.754 5.730 1.00 0.00 C ATOM 259 CG2 VAL A 17 -2.572 8.156 5.598 1.00 0.00 C ATOM 0 H VAL A 17 -1.871 7.784 7.901 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.130 9.960 7.221 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.045 9.510 4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.150 7.199 4.793 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.866 8.229 5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.267 7.069 6.564 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.612 7.601 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.729 7.472 6.432 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.351 8.918 5.602 1.00 0.00 H new ATOM 269 N ARG A 18 -3.210 10.725 7.658 1.00 0.00 N ATOM 270 CA ARG A 18 -4.180 11.856 7.628 1.00 0.00 C ATOM 271 C ARG A 18 -3.617 13.033 8.426 1.00 0.00 C ATOM 272 O ARG A 18 -3.944 14.176 8.180 1.00 0.00 O ATOM 273 CB ARG A 18 -5.505 11.407 8.247 1.00 0.00 C ATOM 274 CG ARG A 18 -6.583 12.456 7.964 1.00 0.00 C ATOM 275 CD ARG A 18 -7.649 12.401 9.059 1.00 0.00 C ATOM 276 NE ARG A 18 -8.304 11.063 9.047 1.00 0.00 N ATOM 277 CZ ARG A 18 -9.024 10.680 10.067 1.00 0.00 C ATOM 278 NH1 ARG A 18 -9.171 11.469 11.096 1.00 0.00 N ATOM 279 NH2 ARG A 18 -9.599 9.508 10.057 1.00 0.00 N ATOM 0 H ARG A 18 -3.489 9.929 8.231 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.347 12.164 6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.803 10.443 7.834 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.389 11.271 9.322 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.137 13.450 7.926 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.037 12.273 6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.196 12.587 10.033 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.391 13.183 8.898 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.190 10.446 8.243 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.723 12.386 11.104 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.734 11.169 11.892 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.486 8.891 9.252 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.161 9.209 10.854 1.00 0.00 H new ATOM 293 N ASP A 19 -2.771 12.762 9.383 1.00 0.00 N ATOM 294 CA ASP A 19 -2.188 13.866 10.197 1.00 0.00 C ATOM 295 C ASP A 19 -1.422 14.824 9.282 1.00 0.00 C ATOM 296 O ASP A 19 -1.808 15.059 8.154 1.00 0.00 O ATOM 297 CB ASP A 19 -1.231 13.280 11.238 1.00 0.00 C ATOM 298 CG ASP A 19 -1.294 14.116 12.517 1.00 0.00 C ATOM 299 OD1 ASP A 19 -2.286 14.014 13.220 1.00 0.00 O ATOM 300 OD2 ASP A 19 -0.349 14.845 12.772 1.00 0.00 O ATOM 0 H ASP A 19 -2.459 11.824 9.636 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.988 14.408 10.702 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.500 12.246 11.453 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.214 13.270 10.847 1.00 0.00 H new ATOM 305 N ASP A 20 -0.339 15.375 9.760 1.00 0.00 N ATOM 306 CA ASP A 20 0.458 16.316 8.921 1.00 0.00 C ATOM 307 C ASP A 20 1.800 15.671 8.574 1.00 0.00 C ATOM 308 O ASP A 20 2.849 16.248 8.777 1.00 0.00 O ATOM 309 CB ASP A 20 0.702 17.610 9.702 1.00 0.00 C ATOM 310 CG ASP A 20 1.061 18.733 8.727 1.00 0.00 C ATOM 311 OD1 ASP A 20 0.290 18.963 7.809 1.00 0.00 O ATOM 312 OD2 ASP A 20 2.099 19.346 8.915 1.00 0.00 O ATOM 0 H ASP A 20 0.029 15.214 10.698 1.00 0.00 H new ATOM 0 HA ASP A 20 -0.087 16.541 8.004 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.189 17.878 10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.508 17.467 10.422 1.00 0.00 H new ATOM 317 N GLY A 21 1.775 14.474 8.053 1.00 0.00 N ATOM 318 CA GLY A 21 3.050 13.791 7.695 1.00 0.00 C ATOM 319 C GLY A 21 3.676 13.193 8.957 1.00 0.00 C ATOM 320 O GLY A 21 4.746 13.586 9.377 1.00 0.00 O ATOM 0 H GLY A 21 0.927 13.940 7.860 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.862 13.007 6.962 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.738 14.500 7.234 1.00 0.00 H new ATOM 324 N SER A 22 3.015 12.246 9.565 1.00 0.00 N ATOM 325 CA SER A 22 3.571 11.626 10.800 1.00 0.00 C ATOM 326 C SER A 22 4.536 10.501 10.420 1.00 0.00 C ATOM 327 O SER A 22 5.644 10.430 10.912 1.00 0.00 O ATOM 328 CB SER A 22 2.428 11.054 11.641 1.00 0.00 C ATOM 329 OG SER A 22 2.826 11.011 13.005 1.00 0.00 O ATOM 0 H SER A 22 2.115 11.875 9.260 1.00 0.00 H new ATOM 0 HA SER A 22 4.105 12.382 11.376 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.535 11.670 11.530 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.170 10.054 11.293 1.00 0.00 H new ATOM 0 HG SER A 22 2.096 10.647 13.548 1.00 0.00 H new ATOM 335 N ALA A 23 4.126 9.621 9.547 1.00 0.00 N ATOM 336 CA ALA A 23 5.025 8.504 9.140 1.00 0.00 C ATOM 337 C ALA A 23 4.325 7.633 8.093 1.00 0.00 C ATOM 338 O ALA A 23 3.415 8.077 7.422 1.00 0.00 O ATOM 339 CB ALA A 23 5.366 7.650 10.364 1.00 0.00 C ATOM 0 H ALA A 23 3.210 9.627 9.099 1.00 0.00 H new ATOM 0 HA ALA A 23 5.940 8.916 8.715 1.00 0.00 H new ATOM 0 HB1 ALA A 23 6.023 6.833 10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.868 8.267 11.109 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.449 7.241 10.789 1.00 0.00 H new ATOM 345 N VAL A 24 4.762 6.400 7.961 1.00 0.00 N ATOM 346 CA VAL A 24 4.164 5.446 6.969 1.00 0.00 C ATOM 347 C VAL A 24 3.433 6.192 5.847 1.00 0.00 C ATOM 348 O VAL A 24 2.222 6.152 5.759 1.00 0.00 O ATOM 349 CB VAL A 24 3.182 4.500 7.675 1.00 0.00 C ATOM 350 CG1 VAL A 24 3.861 3.867 8.889 1.00 0.00 C ATOM 351 CG2 VAL A 24 1.941 5.270 8.135 1.00 0.00 C ATOM 0 H VAL A 24 5.525 6.007 8.512 1.00 0.00 H new ATOM 0 HA VAL A 24 4.979 4.872 6.528 1.00 0.00 H new ATOM 0 HB VAL A 24 2.880 3.722 6.974 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.162 3.196 9.388 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.736 3.303 8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.171 4.649 9.582 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.253 4.587 8.634 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.237 6.057 8.828 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.448 5.715 7.271 1.00 0.00 H new ATOM 361 N ILE A 25 4.145 6.870 4.982 1.00 0.00 N ATOM 362 CA ILE A 25 3.446 7.595 3.883 1.00 0.00 C ATOM 363 C ILE A 25 2.415 6.640 3.262 1.00 0.00 C ATOM 364 O ILE A 25 1.360 7.051 2.827 1.00 0.00 O ATOM 365 CB ILE A 25 4.464 8.095 2.841 1.00 0.00 C ATOM 366 CG1 ILE A 25 3.729 8.768 1.680 1.00 0.00 C ATOM 367 CG2 ILE A 25 5.298 6.930 2.314 1.00 0.00 C ATOM 368 CD1 ILE A 25 4.740 9.452 0.758 1.00 0.00 C ATOM 0 H ILE A 25 5.162 6.951 4.989 1.00 0.00 H new ATOM 0 HA ILE A 25 2.931 8.475 4.269 1.00 0.00 H new ATOM 0 HB ILE A 25 5.127 8.817 3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.156 8.028 1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.018 9.500 2.063 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.013 7.298 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.835 6.464 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.642 6.195 1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.214 9.930 -0.068 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.294 10.204 1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.434 8.709 0.364 1.00 0.00 H new ATOM 380 N TRP A 26 2.697 5.356 3.269 1.00 0.00 N ATOM 381 CA TRP A 26 1.722 4.356 2.737 1.00 0.00 C ATOM 382 C TRP A 26 2.011 2.986 3.356 1.00 0.00 C ATOM 383 O TRP A 26 3.140 2.657 3.658 1.00 0.00 O ATOM 384 CB TRP A 26 1.798 4.263 1.213 1.00 0.00 C ATOM 385 CG TRP A 26 3.219 4.148 0.735 1.00 0.00 C ATOM 386 CD1 TRP A 26 3.925 5.145 0.147 1.00 0.00 C ATOM 387 CD2 TRP A 26 4.105 2.989 0.756 1.00 0.00 C ATOM 388 NE1 TRP A 26 5.186 4.677 -0.170 1.00 0.00 N ATOM 389 CE2 TRP A 26 5.342 3.358 0.176 1.00 0.00 C ATOM 390 CE3 TRP A 26 3.962 1.671 1.221 1.00 0.00 C ATOM 391 CZ2 TRP A 26 6.394 2.455 0.058 1.00 0.00 C ATOM 392 CZ3 TRP A 26 5.025 0.758 1.102 1.00 0.00 C ATOM 393 CH2 TRP A 26 6.237 1.151 0.519 1.00 0.00 C ATOM 0 H TRP A 26 3.567 4.959 3.623 1.00 0.00 H new ATOM 0 HA TRP A 26 0.716 4.680 3.004 1.00 0.00 H new ATOM 0 HB2 TRP A 26 1.228 3.399 0.872 1.00 0.00 H new ATOM 0 HB3 TRP A 26 1.335 5.145 0.771 1.00 0.00 H new ATOM 0 HD1 TRP A 26 3.561 6.144 -0.043 1.00 0.00 H new ATOM 0 HE1 TRP A 26 5.913 5.243 -0.608 1.00 0.00 H new ATOM 0 HE3 TRP A 26 3.032 1.358 1.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.327 2.764 -0.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 4.906 -0.253 1.462 1.00 0.00 H new ATOM 0 HH2 TRP A 26 7.048 0.444 0.427 1.00 0.00 H new ATOM 404 N VAL A 27 0.994 2.190 3.558 1.00 0.00 N ATOM 405 CA VAL A 27 1.203 0.845 4.171 1.00 0.00 C ATOM 406 C VAL A 27 0.899 -0.251 3.149 1.00 0.00 C ATOM 407 O VAL A 27 -0.093 -0.204 2.448 1.00 0.00 O ATOM 408 CB VAL A 27 0.268 0.687 5.371 1.00 0.00 C ATOM 409 CG1 VAL A 27 1.076 0.778 6.667 1.00 0.00 C ATOM 410 CG2 VAL A 27 -0.781 1.801 5.343 1.00 0.00 C ATOM 0 H VAL A 27 0.027 2.413 3.325 1.00 0.00 H new ATOM 0 HA VAL A 27 2.241 0.757 4.493 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.227 -0.283 5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.408 0.665 7.521 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.825 -0.014 6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.571 1.747 6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.450 1.692 6.197 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.284 2.770 5.392 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.357 1.735 4.420 1.00 0.00 H new ATOM 420 N THR A 28 1.745 -1.241 3.067 1.00 0.00 N ATOM 421 CA THR A 28 1.510 -2.350 2.098 1.00 0.00 C ATOM 422 C THR A 28 1.667 -3.696 2.806 1.00 0.00 C ATOM 423 O THR A 28 2.622 -3.921 3.523 1.00 0.00 O ATOM 424 CB THR A 28 2.528 -2.269 0.958 1.00 0.00 C ATOM 425 OG1 THR A 28 3.841 -2.274 1.499 1.00 0.00 O ATOM 426 CG2 THR A 28 2.310 -0.985 0.155 1.00 0.00 C ATOM 0 H THR A 28 2.591 -1.330 3.630 1.00 0.00 H new ATOM 0 HA THR A 28 0.501 -2.259 1.697 1.00 0.00 H new ATOM 0 HB THR A 28 2.400 -3.128 0.299 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.829 -2.696 2.383 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.038 -0.934 -0.655 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.303 -0.983 -0.262 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.434 -0.122 0.809 1.00 0.00 H new ATOM 434 N PHE A 29 0.750 -4.600 2.586 1.00 0.00 N ATOM 435 CA PHE A 29 0.854 -5.943 3.213 1.00 0.00 C ATOM 436 C PHE A 29 0.827 -6.978 2.102 1.00 0.00 C ATOM 437 O PHE A 29 0.517 -6.672 0.967 1.00 0.00 O ATOM 438 CB PHE A 29 -0.317 -6.199 4.167 1.00 0.00 C ATOM 439 CG PHE A 29 -1.429 -5.211 3.923 1.00 0.00 C ATOM 440 CD1 PHE A 29 -1.304 -3.891 4.368 1.00 0.00 C ATOM 441 CD2 PHE A 29 -2.595 -5.624 3.270 1.00 0.00 C ATOM 442 CE1 PHE A 29 -2.348 -2.983 4.161 1.00 0.00 C ATOM 443 CE2 PHE A 29 -3.637 -4.716 3.060 1.00 0.00 C ATOM 444 CZ PHE A 29 -3.514 -3.396 3.506 1.00 0.00 C ATOM 0 H PHE A 29 -0.070 -4.462 1.995 1.00 0.00 H new ATOM 0 HA PHE A 29 1.778 -6.003 3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.689 -7.214 4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.025 -6.122 5.199 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.403 -3.573 4.871 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.690 -6.644 2.928 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.254 -1.964 4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.537 -5.034 2.554 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.319 -2.695 3.345 1.00 0.00 H new ATOM 454 N ARG A 30 1.157 -8.193 2.406 1.00 0.00 N ATOM 455 CA ARG A 30 1.153 -9.231 1.347 1.00 0.00 C ATOM 456 C ARG A 30 0.613 -10.542 1.910 1.00 0.00 C ATOM 457 O ARG A 30 0.843 -10.885 3.052 1.00 0.00 O ATOM 458 CB ARG A 30 2.577 -9.429 0.838 1.00 0.00 C ATOM 459 CG ARG A 30 3.512 -9.686 2.021 1.00 0.00 C ATOM 460 CD ARG A 30 4.966 -9.589 1.555 1.00 0.00 C ATOM 461 NE ARG A 30 5.852 -10.252 2.554 1.00 0.00 N ATOM 462 CZ ARG A 30 7.081 -10.554 2.235 1.00 0.00 C ATOM 463 NH1 ARG A 30 7.533 -10.277 1.043 1.00 0.00 N ATOM 464 NH2 ARG A 30 7.857 -11.133 3.110 1.00 0.00 N ATOM 0 H ARG A 30 1.428 -8.514 3.336 1.00 0.00 H new ATOM 0 HA ARG A 30 0.513 -8.913 0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.613 -10.269 0.144 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.904 -8.547 0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.323 -8.959 2.811 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.319 -10.673 2.442 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.079 -10.064 0.580 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.252 -8.544 1.436 1.00 0.00 H new ATOM 0 HE ARG A 30 5.498 -10.469 3.486 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.926 -9.824 0.360 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.494 -10.513 0.794 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.503 -11.349 4.042 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.818 -11.370 2.862 1.00 0.00 H new ATOM 478 N TYR A 31 -0.115 -11.270 1.114 1.00 0.00 N ATOM 479 CA TYR A 31 -0.686 -12.554 1.591 1.00 0.00 C ATOM 480 C TYR A 31 0.409 -13.398 2.231 1.00 0.00 C ATOM 481 O TYR A 31 1.156 -14.076 1.555 1.00 0.00 O ATOM 482 CB TYR A 31 -1.277 -13.315 0.407 1.00 0.00 C ATOM 483 CG TYR A 31 -1.936 -12.336 -0.534 1.00 0.00 C ATOM 484 CD1 TYR A 31 -3.175 -11.775 -0.206 1.00 0.00 C ATOM 485 CD2 TYR A 31 -1.301 -11.983 -1.731 1.00 0.00 C ATOM 486 CE1 TYR A 31 -3.781 -10.861 -1.076 1.00 0.00 C ATOM 487 CE2 TYR A 31 -1.906 -11.068 -2.601 1.00 0.00 C ATOM 488 CZ TYR A 31 -3.146 -10.507 -2.274 1.00 0.00 C ATOM 489 OH TYR A 31 -3.742 -9.605 -3.130 1.00 0.00 O ATOM 0 H TYR A 31 -0.339 -11.028 0.149 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.464 -12.351 2.326 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.494 -13.867 -0.113 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.005 -14.047 0.757 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.664 -12.047 0.718 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.345 -12.417 -1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.738 -10.429 -0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.416 -10.795 -3.524 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.725 -8.712 -2.727 1.00 0.00 H new ATOM 499 N ASP A 32 0.502 -13.382 3.528 1.00 0.00 N ATOM 500 CA ASP A 32 1.540 -14.208 4.191 1.00 0.00 C ATOM 501 C ASP A 32 0.901 -15.527 4.611 1.00 0.00 C ATOM 502 O ASP A 32 0.203 -15.602 5.602 1.00 0.00 O ATOM 503 CB ASP A 32 2.072 -13.477 5.424 1.00 0.00 C ATOM 504 CG ASP A 32 3.559 -13.170 5.235 1.00 0.00 C ATOM 505 OD1 ASP A 32 4.266 -14.040 4.752 1.00 0.00 O ATOM 506 OD2 ASP A 32 3.965 -12.071 5.576 1.00 0.00 O ATOM 0 H ASP A 32 -0.092 -12.837 4.153 1.00 0.00 H new ATOM 0 HA ASP A 32 2.370 -14.391 3.508 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.516 -12.552 5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 32 1.927 -14.090 6.314 1.00 0.00 H new ATOM 511 N GLY A 33 1.128 -16.566 3.861 1.00 0.00 N ATOM 512 CA GLY A 33 0.524 -17.878 4.215 1.00 0.00 C ATOM 513 C GLY A 33 -0.990 -17.814 4.006 1.00 0.00 C ATOM 514 O GLY A 33 -1.464 -17.533 2.924 1.00 0.00 O ATOM 0 H GLY A 33 1.705 -16.564 3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.954 -18.667 3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.749 -18.126 5.252 1.00 0.00 H new ATOM 518 N ALA A 34 -1.749 -18.083 5.033 1.00 0.00 N ATOM 519 CA ALA A 34 -3.234 -18.050 4.893 1.00 0.00 C ATOM 520 C ALA A 34 -3.809 -16.839 5.634 1.00 0.00 C ATOM 521 O ALA A 34 -4.969 -16.816 5.992 1.00 0.00 O ATOM 522 CB ALA A 34 -3.825 -19.331 5.484 1.00 0.00 C ATOM 0 H ALA A 34 -1.406 -18.324 5.963 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.490 -17.974 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.910 -19.311 5.384 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.427 -20.195 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.559 -19.401 6.539 1.00 0.00 H new ATOM 528 N THR A 35 -3.012 -15.828 5.863 1.00 0.00 N ATOM 529 CA THR A 35 -3.528 -14.622 6.575 1.00 0.00 C ATOM 530 C THR A 35 -2.829 -13.367 6.039 1.00 0.00 C ATOM 531 O THR A 35 -1.628 -13.346 5.858 1.00 0.00 O ATOM 532 CB THR A 35 -3.252 -14.758 8.074 1.00 0.00 C ATOM 533 OG1 THR A 35 -3.782 -15.992 8.540 1.00 0.00 O ATOM 534 CG2 THR A 35 -3.911 -13.600 8.828 1.00 0.00 C ATOM 0 H THR A 35 -2.030 -15.785 5.589 1.00 0.00 H new ATOM 0 HA THR A 35 -4.602 -14.536 6.408 1.00 0.00 H new ATOM 0 HB THR A 35 -2.176 -14.733 8.248 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.605 -16.082 9.500 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.712 -13.701 9.895 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.504 -12.654 8.470 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.987 -13.620 8.656 1.00 0.00 H new ATOM 542 N ILE A 36 -3.567 -12.316 5.796 1.00 0.00 N ATOM 543 CA ILE A 36 -2.935 -11.062 5.287 1.00 0.00 C ATOM 544 C ILE A 36 -2.255 -10.345 6.454 1.00 0.00 C ATOM 545 O ILE A 36 -2.902 -9.918 7.391 1.00 0.00 O ATOM 546 CB ILE A 36 -4.010 -10.151 4.683 1.00 0.00 C ATOM 547 CG1 ILE A 36 -4.555 -10.776 3.393 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.410 -8.777 4.368 1.00 0.00 C ATOM 549 CD1 ILE A 36 -5.778 -11.635 3.718 1.00 0.00 C ATOM 0 H ILE A 36 -4.578 -12.271 5.927 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.200 -11.304 4.519 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.822 -10.036 5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.825 -9.994 2.684 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.786 -11.385 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.179 -8.134 3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.031 -8.327 5.285 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.593 -8.891 3.655 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.165 -12.079 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.493 -12.426 4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.549 -11.013 4.173 1.00 0.00 H new ATOM 561 N VAL A 37 -0.955 -10.216 6.413 1.00 0.00 N ATOM 562 CA VAL A 37 -0.239 -9.535 7.529 1.00 0.00 C ATOM 563 C VAL A 37 0.801 -8.561 6.962 1.00 0.00 C ATOM 564 O VAL A 37 1.291 -8.740 5.865 1.00 0.00 O ATOM 565 CB VAL A 37 0.459 -10.592 8.393 1.00 0.00 C ATOM 566 CG1 VAL A 37 -0.231 -11.942 8.195 1.00 0.00 C ATOM 567 CG2 VAL A 37 1.932 -10.716 7.985 1.00 0.00 C ATOM 0 H VAL A 37 -0.360 -10.552 5.656 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.952 -8.977 8.135 1.00 0.00 H new ATOM 0 HB VAL A 37 0.400 -10.293 9.439 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.263 -12.696 8.808 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.277 -11.863 8.490 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.171 -12.231 7.146 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.419 -11.469 8.604 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.996 -11.011 6.938 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.430 -9.756 8.123 1.00 0.00 H new ATOM 577 N PRO A 38 1.141 -7.540 7.708 1.00 0.00 N ATOM 578 CA PRO A 38 2.144 -6.530 7.280 1.00 0.00 C ATOM 579 C PRO A 38 3.331 -7.161 6.548 1.00 0.00 C ATOM 580 O PRO A 38 3.800 -8.223 6.904 1.00 0.00 O ATOM 581 CB PRO A 38 2.602 -5.903 8.595 1.00 0.00 C ATOM 582 CG PRO A 38 1.444 -6.045 9.531 1.00 0.00 C ATOM 583 CD PRO A 38 0.605 -7.232 9.045 1.00 0.00 C ATOM 0 HA PRO A 38 1.723 -5.814 6.575 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.485 -6.409 8.984 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.869 -4.855 8.458 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.792 -6.213 10.550 1.00 0.00 H new ATOM 0 HG3 PRO A 38 0.847 -5.133 9.544 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.699 -8.086 9.716 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.454 -6.977 8.999 1.00 0.00 H new ATOM 591 N GLY A 39 3.821 -6.507 5.531 1.00 0.00 N ATOM 592 CA GLY A 39 4.982 -7.056 4.777 1.00 0.00 C ATOM 593 C GLY A 39 5.994 -5.943 4.547 1.00 0.00 C ATOM 594 O GLY A 39 7.189 -6.131 4.661 1.00 0.00 O ATOM 0 H GLY A 39 3.466 -5.614 5.189 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.441 -7.873 5.334 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.651 -7.467 3.823 1.00 0.00 H new ATOM 598 N ASP A 40 5.514 -4.783 4.231 1.00 0.00 N ATOM 599 CA ASP A 40 6.416 -3.631 3.997 1.00 0.00 C ATOM 600 C ASP A 40 5.742 -2.365 4.515 1.00 0.00 C ATOM 601 O ASP A 40 4.643 -2.398 5.031 1.00 0.00 O ATOM 602 CB ASP A 40 6.702 -3.489 2.502 1.00 0.00 C ATOM 603 CG ASP A 40 7.525 -2.224 2.263 1.00 0.00 C ATOM 604 OD1 ASP A 40 8.739 -2.305 2.354 1.00 0.00 O ATOM 605 OD2 ASP A 40 6.928 -1.196 2.001 1.00 0.00 O ATOM 0 H ASP A 40 4.520 -4.579 4.123 1.00 0.00 H new ATOM 0 HA ASP A 40 7.358 -3.790 4.521 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.243 -4.363 2.139 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.767 -3.439 1.944 1.00 0.00 H new ATOM 610 N GLN A 41 6.400 -1.253 4.396 1.00 0.00 N ATOM 611 CA GLN A 41 5.809 0.012 4.899 1.00 0.00 C ATOM 612 C GLN A 41 6.112 1.161 3.944 1.00 0.00 C ATOM 613 O GLN A 41 6.815 1.004 2.969 1.00 0.00 O ATOM 614 CB GLN A 41 6.426 0.334 6.249 1.00 0.00 C ATOM 615 CG GLN A 41 7.906 -0.070 6.234 1.00 0.00 C ATOM 616 CD GLN A 41 8.617 0.623 5.061 1.00 0.00 C ATOM 617 OE1 GLN A 41 8.726 0.008 3.908 1.00 0.00 O flip ATOM 618 NE2 GLN A 41 9.079 1.739 5.196 1.00 0.00 N flip ATOM 0 H GLN A 41 7.323 -1.164 3.972 1.00 0.00 H new ATOM 0 HA GLN A 41 4.729 -0.110 4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.329 1.398 6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.899 -0.199 7.040 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.379 0.209 7.175 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.997 -1.152 6.140 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.996 2.220 6.091 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.550 2.194 4.414 1.00 0.00 H new ATOM 627 N GLY A 42 5.598 2.322 4.241 1.00 0.00 N ATOM 628 CA GLY A 42 5.856 3.502 3.377 1.00 0.00 C ATOM 629 C GLY A 42 6.722 4.502 4.143 1.00 0.00 C ATOM 630 O GLY A 42 6.230 5.436 4.743 1.00 0.00 O ATOM 0 H GLY A 42 5.006 2.503 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.359 3.194 2.460 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.915 3.967 3.084 1.00 0.00 H new ATOM 634 N ALA A 43 8.010 4.317 4.104 1.00 0.00 N ATOM 635 CA ALA A 43 8.929 5.255 4.806 1.00 0.00 C ATOM 636 C ALA A 43 9.758 5.991 3.757 1.00 0.00 C ATOM 637 O ALA A 43 10.949 6.163 3.908 1.00 0.00 O ATOM 638 CB ALA A 43 9.856 4.470 5.736 1.00 0.00 C ATOM 0 H ALA A 43 8.470 3.551 3.612 1.00 0.00 H new ATOM 0 HA ALA A 43 8.356 5.967 5.400 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.527 5.160 6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.261 3.930 6.472 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.442 3.760 5.152 1.00 0.00 H new ATOM 644 N ASP A 44 9.107 6.426 2.703 1.00 0.00 N ATOM 645 CA ASP A 44 9.781 7.163 1.589 1.00 0.00 C ATOM 646 C ASP A 44 9.120 6.732 0.278 1.00 0.00 C ATOM 647 O ASP A 44 9.032 5.559 -0.023 1.00 0.00 O ATOM 648 CB ASP A 44 11.278 6.836 1.526 1.00 0.00 C ATOM 649 CG ASP A 44 11.797 7.115 0.117 1.00 0.00 C ATOM 650 OD1 ASP A 44 11.420 6.386 -0.784 1.00 0.00 O ATOM 651 OD2 ASP A 44 12.562 8.053 -0.039 1.00 0.00 O ATOM 0 H ASP A 44 8.105 6.295 2.567 1.00 0.00 H new ATOM 0 HA ASP A 44 9.679 8.235 1.755 1.00 0.00 H new ATOM 0 HB2 ASP A 44 11.824 7.437 2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.445 5.791 1.787 1.00 0.00 H new ATOM 656 N TYR A 45 8.643 7.659 -0.503 1.00 0.00 N ATOM 657 CA TYR A 45 7.984 7.276 -1.784 1.00 0.00 C ATOM 658 C TYR A 45 8.936 6.406 -2.610 1.00 0.00 C ATOM 659 O TYR A 45 8.593 5.318 -3.028 1.00 0.00 O ATOM 660 CB TYR A 45 7.639 8.538 -2.578 1.00 0.00 C ATOM 661 CG TYR A 45 6.482 8.251 -3.505 1.00 0.00 C ATOM 662 CD1 TYR A 45 5.228 7.920 -2.977 1.00 0.00 C ATOM 663 CD2 TYR A 45 6.664 8.314 -4.891 1.00 0.00 C ATOM 664 CE1 TYR A 45 4.155 7.654 -3.836 1.00 0.00 C ATOM 665 CE2 TYR A 45 5.591 8.046 -5.751 1.00 0.00 C ATOM 666 CZ TYR A 45 4.337 7.717 -5.224 1.00 0.00 C ATOM 667 OH TYR A 45 3.280 7.454 -6.070 1.00 0.00 O ATOM 0 H TYR A 45 8.680 8.660 -0.313 1.00 0.00 H new ATOM 0 HA TYR A 45 7.073 6.718 -1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 45 7.381 9.349 -1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 45 8.505 8.867 -3.152 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.089 7.870 -1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.631 8.569 -5.298 1.00 0.00 H new ATOM 0 HE1 TYR A 45 3.187 7.400 -3.429 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.732 8.093 -6.821 1.00 0.00 H new ATOM 0 HH TYR A 45 3.576 7.542 -7.000 1.00 0.00 H new ATOM 677 N GLN A 46 10.127 6.877 -2.851 1.00 0.00 N ATOM 678 CA GLN A 46 11.098 6.088 -3.655 1.00 0.00 C ATOM 679 C GLN A 46 11.158 4.651 -3.131 1.00 0.00 C ATOM 680 O GLN A 46 11.577 3.745 -3.824 1.00 0.00 O ATOM 681 CB GLN A 46 12.478 6.738 -3.556 1.00 0.00 C ATOM 682 CG GLN A 46 12.585 7.852 -4.597 1.00 0.00 C ATOM 683 CD GLN A 46 11.429 8.838 -4.413 1.00 0.00 C ATOM 684 OE1 GLN A 46 11.414 9.604 -3.470 1.00 0.00 O ATOM 685 NE2 GLN A 46 10.452 8.851 -5.280 1.00 0.00 N ATOM 0 H GLN A 46 10.471 7.780 -2.523 1.00 0.00 H new ATOM 0 HA GLN A 46 10.780 6.069 -4.697 1.00 0.00 H new ATOM 0 HB2 GLN A 46 12.632 7.143 -2.556 1.00 0.00 H new ATOM 0 HB3 GLN A 46 13.257 5.993 -3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 46 13.538 8.370 -4.494 1.00 0.00 H new ATOM 0 HG3 GLN A 46 12.559 7.429 -5.601 1.00 0.00 H new ATOM 0 HE21 GLN A 46 10.464 8.208 -6.072 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.677 9.504 -5.165 1.00 0.00 H new ATOM 694 N HIS A 47 10.737 4.433 -1.916 1.00 0.00 N ATOM 695 CA HIS A 47 10.766 3.052 -1.359 1.00 0.00 C ATOM 696 C HIS A 47 9.684 2.214 -2.036 1.00 0.00 C ATOM 697 O HIS A 47 9.851 1.032 -2.263 1.00 0.00 O ATOM 698 CB HIS A 47 10.498 3.099 0.143 1.00 0.00 C ATOM 699 CG HIS A 47 11.396 2.119 0.847 1.00 0.00 C ATOM 700 ND1 HIS A 47 11.767 2.277 2.175 1.00 0.00 N ATOM 701 CD2 HIS A 47 12.006 0.964 0.422 1.00 0.00 C ATOM 702 CE1 HIS A 47 12.565 1.243 2.500 1.00 0.00 C ATOM 703 NE2 HIS A 47 12.741 0.418 1.468 1.00 0.00 N ATOM 0 H HIS A 47 10.375 5.149 -1.286 1.00 0.00 H new ATOM 0 HA HIS A 47 11.745 2.609 -1.540 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.673 4.106 0.522 1.00 0.00 H new ATOM 0 HB3 HIS A 47 9.454 2.860 0.344 1.00 0.00 H new ATOM 0 HD2 HIS A 47 11.927 0.545 -0.570 1.00 0.00 H new ATOM 0 HE1 HIS A 47 13.007 1.100 3.475 1.00 0.00 H new ATOM 0 HE2 HIS A 47 13.299 -0.436 1.450 1.00 0.00 H new ATOM 712 N PHE A 48 8.578 2.820 -2.373 1.00 0.00 N ATOM 713 CA PHE A 48 7.499 2.056 -3.045 1.00 0.00 C ATOM 714 C PHE A 48 8.104 1.418 -4.301 1.00 0.00 C ATOM 715 O PHE A 48 7.817 0.290 -4.652 1.00 0.00 O ATOM 716 CB PHE A 48 6.348 3.018 -3.396 1.00 0.00 C ATOM 717 CG PHE A 48 6.350 3.370 -4.869 1.00 0.00 C ATOM 718 CD1 PHE A 48 6.045 2.399 -5.834 1.00 0.00 C ATOM 719 CD2 PHE A 48 6.645 4.679 -5.266 1.00 0.00 C ATOM 720 CE1 PHE A 48 6.041 2.740 -7.191 1.00 0.00 C ATOM 721 CE2 PHE A 48 6.637 5.020 -6.622 1.00 0.00 C ATOM 722 CZ PHE A 48 6.337 4.051 -7.585 1.00 0.00 C ATOM 0 H PHE A 48 8.379 3.807 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 48 7.094 1.274 -2.403 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.395 2.559 -3.132 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.439 3.928 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.813 1.389 -5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 48 6.879 5.427 -4.523 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.810 1.992 -7.935 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.862 6.032 -6.926 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.334 4.314 -8.633 1.00 0.00 H new ATOM 732 N ILE A 49 8.940 2.160 -4.976 1.00 0.00 N ATOM 733 CA ILE A 49 9.593 1.656 -6.222 1.00 0.00 C ATOM 734 C ILE A 49 10.401 0.384 -5.940 1.00 0.00 C ATOM 735 O ILE A 49 10.205 -0.635 -6.574 1.00 0.00 O ATOM 736 CB ILE A 49 10.530 2.736 -6.762 1.00 0.00 C ATOM 737 CG1 ILE A 49 9.810 4.081 -6.720 1.00 0.00 C ATOM 738 CG2 ILE A 49 10.913 2.406 -8.206 1.00 0.00 C ATOM 739 CD1 ILE A 49 10.643 5.138 -7.449 1.00 0.00 C ATOM 0 H ILE A 49 9.203 3.110 -4.713 1.00 0.00 H new ATOM 0 HA ILE A 49 8.820 1.420 -6.953 1.00 0.00 H new ATOM 0 HB ILE A 49 11.433 2.780 -6.153 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.829 3.993 -7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 49 9.646 4.384 -5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 49 11.581 3.177 -8.590 1.00 0.00 H new ATOM 0 HG22 ILE A 49 11.417 1.440 -8.237 1.00 0.00 H new ATOM 0 HG23 ILE A 49 10.014 2.366 -8.821 1.00 0.00 H new ATOM 0 HD11 ILE A 49 10.124 6.096 -7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 49 11.614 5.234 -6.964 1.00 0.00 H new ATOM 0 HD13 ILE A 49 10.784 4.837 -8.487 1.00 0.00 H new ATOM 751 N GLN A 50 11.312 0.430 -5.004 1.00 0.00 N ATOM 752 CA GLN A 50 12.127 -0.783 -4.703 1.00 0.00 C ATOM 753 C GLN A 50 11.246 -1.782 -3.968 1.00 0.00 C ATOM 754 O GLN A 50 11.696 -2.796 -3.474 1.00 0.00 O ATOM 755 CB GLN A 50 13.316 -0.395 -3.818 1.00 0.00 C ATOM 756 CG GLN A 50 14.117 -1.648 -3.457 1.00 0.00 C ATOM 757 CD GLN A 50 13.780 -2.078 -2.029 1.00 0.00 C ATOM 758 OE1 GLN A 50 12.604 -1.799 -1.536 1.00 0.00 O flip ATOM 759 NE2 GLN A 50 14.596 -2.674 -1.353 1.00 0.00 N flip ATOM 0 H GLN A 50 11.526 1.251 -4.438 1.00 0.00 H new ATOM 0 HA GLN A 50 12.503 -1.223 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.953 0.319 -4.340 1.00 0.00 H new ATOM 0 HB3 GLN A 50 12.963 0.097 -2.912 1.00 0.00 H new ATOM 0 HG2 GLN A 50 13.886 -2.453 -4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.185 -1.447 -3.545 1.00 0.00 H new ATOM 0 HE21 GLN A 50 15.515 -2.892 -1.738 1.00 0.00 H new ATOM 0 HE22 GLN A 50 14.361 -2.956 -0.401 1.00 0.00 H new ATOM 768 N GLN A 51 9.989 -1.472 -3.882 1.00 0.00 N ATOM 769 CA GLN A 51 9.041 -2.358 -3.167 1.00 0.00 C ATOM 770 C GLN A 51 8.000 -2.912 -4.141 1.00 0.00 C ATOM 771 O GLN A 51 8.055 -4.060 -4.534 1.00 0.00 O ATOM 772 CB GLN A 51 8.357 -1.533 -2.087 1.00 0.00 C ATOM 773 CG GLN A 51 9.273 -1.434 -0.876 1.00 0.00 C ATOM 774 CD GLN A 51 9.212 -2.752 -0.111 1.00 0.00 C ATOM 775 OE1 GLN A 51 8.065 -3.366 -0.008 1.00 0.00 O flip ATOM 776 NE2 GLN A 51 10.208 -3.226 0.398 1.00 0.00 N flip ATOM 0 H GLN A 51 9.573 -0.631 -4.282 1.00 0.00 H new ATOM 0 HA GLN A 51 9.572 -3.200 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.126 -0.537 -2.465 1.00 0.00 H new ATOM 0 HB3 GLN A 51 7.411 -1.994 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 51 10.296 -1.226 -1.191 1.00 0.00 H new ATOM 0 HG3 GLN A 51 8.964 -0.609 -0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.102 -2.743 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.150 -4.107 0.908 1.00 0.00 H new ATOM 785 N CYS A 52 7.048 -2.111 -4.531 1.00 0.00 N ATOM 786 CA CYS A 52 6.005 -2.600 -5.476 1.00 0.00 C ATOM 787 C CYS A 52 6.648 -2.913 -6.829 1.00 0.00 C ATOM 788 O CYS A 52 6.169 -2.495 -7.865 1.00 0.00 O ATOM 789 CB CYS A 52 4.935 -1.522 -5.658 1.00 0.00 C ATOM 790 SG CYS A 52 4.718 -0.620 -4.103 1.00 0.00 S ATOM 0 H CYS A 52 6.947 -1.140 -4.237 1.00 0.00 H new ATOM 0 HA CYS A 52 5.546 -3.503 -5.074 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.227 -0.835 -6.452 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.992 -1.977 -5.961 1.00 0.00 H new ATOM 0 HG CYS A 52 3.811 0.298 -4.257 1.00 0.00 H new ATOM 796 N THR A 53 7.730 -3.644 -6.831 1.00 0.00 N ATOM 797 CA THR A 53 8.400 -3.979 -8.122 1.00 0.00 C ATOM 798 C THR A 53 7.579 -5.029 -8.873 1.00 0.00 C ATOM 799 O THR A 53 6.619 -5.567 -8.359 1.00 0.00 O ATOM 800 CB THR A 53 9.800 -4.532 -7.840 1.00 0.00 C ATOM 801 OG1 THR A 53 9.743 -5.950 -7.780 1.00 0.00 O ATOM 802 CG2 THR A 53 10.310 -3.982 -6.508 1.00 0.00 C ATOM 0 H THR A 53 8.179 -4.023 -5.997 1.00 0.00 H new ATOM 0 HA THR A 53 8.478 -3.079 -8.732 1.00 0.00 H new ATOM 0 HB THR A 53 10.478 -4.229 -8.637 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.638 -6.306 -7.601 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.306 -4.377 -6.309 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.354 -2.894 -6.556 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.634 -4.283 -5.707 1.00 0.00 H new ATOM 810 N ASP A 54 7.949 -5.322 -10.091 1.00 0.00 N ATOM 811 CA ASP A 54 7.192 -6.333 -10.884 1.00 0.00 C ATOM 812 C ASP A 54 7.120 -7.650 -10.109 1.00 0.00 C ATOM 813 O ASP A 54 6.069 -8.245 -9.977 1.00 0.00 O ATOM 814 CB ASP A 54 7.901 -6.568 -12.219 1.00 0.00 C ATOM 815 CG ASP A 54 9.404 -6.725 -11.978 1.00 0.00 C ATOM 816 OD1 ASP A 54 9.783 -7.686 -11.328 1.00 0.00 O ATOM 817 OD2 ASP A 54 10.152 -5.882 -12.447 1.00 0.00 O ATOM 0 H ASP A 54 8.745 -4.903 -10.572 1.00 0.00 H new ATOM 0 HA ASP A 54 6.182 -5.965 -11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 54 7.504 -7.461 -12.701 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.715 -5.732 -12.894 1.00 0.00 H new ATOM 822 N ASP A 55 8.226 -8.114 -9.599 1.00 0.00 N ATOM 823 CA ASP A 55 8.214 -9.394 -8.837 1.00 0.00 C ATOM 824 C ASP A 55 7.625 -9.158 -7.446 1.00 0.00 C ATOM 825 O ASP A 55 8.121 -9.663 -6.458 1.00 0.00 O ATOM 826 CB ASP A 55 9.645 -9.921 -8.702 1.00 0.00 C ATOM 827 CG ASP A 55 9.640 -11.447 -8.813 1.00 0.00 C ATOM 828 OD1 ASP A 55 9.644 -11.940 -9.929 1.00 0.00 O ATOM 829 OD2 ASP A 55 9.633 -12.096 -7.781 1.00 0.00 O ATOM 0 H ASP A 55 9.138 -7.663 -9.677 1.00 0.00 H new ATOM 0 HA ASP A 55 7.605 -10.125 -9.368 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.277 -9.491 -9.479 1.00 0.00 H new ATOM 0 HB3 ASP A 55 10.067 -9.617 -7.744 1.00 0.00 H new ATOM 834 N VAL A 56 6.571 -8.392 -7.357 1.00 0.00 N ATOM 835 CA VAL A 56 5.958 -8.126 -6.025 1.00 0.00 C ATOM 836 C VAL A 56 4.447 -7.938 -6.177 1.00 0.00 C ATOM 837 O VAL A 56 3.970 -7.439 -7.177 1.00 0.00 O ATOM 838 CB VAL A 56 6.570 -6.860 -5.425 1.00 0.00 C ATOM 839 CG1 VAL A 56 5.873 -6.530 -4.105 1.00 0.00 C ATOM 840 CG2 VAL A 56 8.062 -7.089 -5.170 1.00 0.00 C ATOM 0 H VAL A 56 6.110 -7.940 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 56 6.151 -8.973 -5.366 1.00 0.00 H new ATOM 0 HB VAL A 56 6.441 -6.030 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.310 -5.627 -3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.810 -6.368 -4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.001 -7.359 -3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.501 -6.187 -4.742 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.189 -7.919 -4.475 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.560 -7.323 -6.111 1.00 0.00 H new ATOM 850 N ARG A 57 3.692 -8.340 -5.191 1.00 0.00 N ATOM 851 CA ARG A 57 2.210 -8.187 -5.270 1.00 0.00 C ATOM 852 C ARG A 57 1.671 -7.717 -3.915 1.00 0.00 C ATOM 853 O ARG A 57 1.850 -8.375 -2.909 1.00 0.00 O ATOM 854 CB ARG A 57 1.580 -9.533 -5.635 1.00 0.00 C ATOM 855 CG ARG A 57 1.979 -10.579 -4.591 1.00 0.00 C ATOM 856 CD ARG A 57 1.998 -11.965 -5.235 1.00 0.00 C ATOM 857 NE ARG A 57 3.378 -12.275 -5.705 1.00 0.00 N ATOM 858 CZ ARG A 57 3.703 -13.500 -6.014 1.00 0.00 C ATOM 859 NH1 ARG A 57 2.820 -14.455 -5.912 1.00 0.00 N ATOM 860 NH2 ARG A 57 4.911 -13.771 -6.426 1.00 0.00 N ATOM 0 H ARG A 57 4.038 -8.769 -4.332 1.00 0.00 H new ATOM 0 HA ARG A 57 1.959 -7.450 -6.033 1.00 0.00 H new ATOM 0 HB2 ARG A 57 0.495 -9.440 -5.677 1.00 0.00 H new ATOM 0 HB3 ARG A 57 1.911 -9.846 -6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 57 2.962 -10.343 -4.182 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.276 -10.563 -3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.670 -12.716 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.301 -11.998 -6.072 1.00 0.00 H new ATOM 0 HE ARG A 57 4.069 -11.529 -5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.875 -14.244 -5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.074 -15.413 -6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.602 -13.025 -6.507 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.165 -14.729 -6.667 1.00 0.00 H new ATOM 874 N LEU A 58 1.016 -6.585 -3.874 1.00 0.00 N ATOM 875 CA LEU A 58 0.480 -6.090 -2.571 1.00 0.00 C ATOM 876 C LEU A 58 -0.396 -4.849 -2.788 1.00 0.00 C ATOM 877 O LEU A 58 -0.519 -4.344 -3.885 1.00 0.00 O ATOM 878 CB LEU A 58 1.657 -5.743 -1.653 1.00 0.00 C ATOM 879 CG LEU A 58 2.596 -4.745 -2.346 1.00 0.00 C ATOM 880 CD1 LEU A 58 1.948 -3.358 -2.415 1.00 0.00 C ATOM 881 CD2 LEU A 58 3.902 -4.650 -1.554 1.00 0.00 C ATOM 0 H LEU A 58 0.830 -5.987 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.133 -6.866 -2.113 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.287 -5.317 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.205 -6.649 -1.394 1.00 0.00 H new ATOM 0 HG LEU A 58 2.795 -5.093 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.627 -2.663 -2.909 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.017 -3.419 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.738 -3.004 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.573 -3.943 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.689 -4.309 -0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.376 -5.631 -1.515 1.00 0.00 H new ATOM 893 N PHE A 59 -1.004 -4.347 -1.743 1.00 0.00 N ATOM 894 CA PHE A 59 -1.864 -3.133 -1.882 1.00 0.00 C ATOM 895 C PHE A 59 -1.110 -1.928 -1.320 1.00 0.00 C ATOM 896 O PHE A 59 -0.298 -2.066 -0.432 1.00 0.00 O ATOM 897 CB PHE A 59 -3.165 -3.320 -1.096 1.00 0.00 C ATOM 898 CG PHE A 59 -3.681 -4.727 -1.274 1.00 0.00 C ATOM 899 CD1 PHE A 59 -3.159 -5.769 -0.499 1.00 0.00 C ATOM 900 CD2 PHE A 59 -4.692 -4.988 -2.208 1.00 0.00 C ATOM 901 CE1 PHE A 59 -3.647 -7.072 -0.657 1.00 0.00 C ATOM 902 CE2 PHE A 59 -5.178 -6.291 -2.367 1.00 0.00 C ATOM 903 CZ PHE A 59 -4.657 -7.334 -1.591 1.00 0.00 C ATOM 0 H PHE A 59 -0.942 -4.726 -0.798 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.101 -2.975 -2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.992 -3.119 -0.039 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -3.912 -2.604 -1.439 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -2.380 -5.568 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.096 -4.184 -2.805 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.244 -7.875 -0.058 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.956 -6.492 -3.089 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.034 -8.339 -1.713 1.00 0.00 H new ATOM 913 N ALA A 60 -1.381 -0.743 -1.807 1.00 0.00 N ATOM 914 CA ALA A 60 -0.677 0.462 -1.278 1.00 0.00 C ATOM 915 C ALA A 60 -1.704 1.562 -1.012 1.00 0.00 C ATOM 916 O ALA A 60 -2.739 1.619 -1.645 1.00 0.00 O ATOM 917 CB ALA A 60 0.345 0.952 -2.306 1.00 0.00 C ATOM 0 H ALA A 60 -2.059 -0.559 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.160 0.209 -0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 60 0.858 1.832 -1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.073 0.164 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.167 1.210 -3.233 1.00 0.00 H new ATOM 923 N PHE A 61 -1.437 2.437 -0.080 1.00 0.00 N ATOM 924 CA PHE A 61 -2.410 3.525 0.218 1.00 0.00 C ATOM 925 C PHE A 61 -1.658 4.756 0.737 1.00 0.00 C ATOM 926 O PHE A 61 -1.344 4.845 1.906 1.00 0.00 O ATOM 927 CB PHE A 61 -3.392 3.020 1.279 1.00 0.00 C ATOM 928 CG PHE A 61 -4.175 4.164 1.872 1.00 0.00 C ATOM 929 CD1 PHE A 61 -5.332 4.625 1.236 1.00 0.00 C ATOM 930 CD2 PHE A 61 -3.755 4.750 3.072 1.00 0.00 C ATOM 931 CE1 PHE A 61 -6.070 5.671 1.800 1.00 0.00 C ATOM 932 CE2 PHE A 61 -4.490 5.798 3.635 1.00 0.00 C ATOM 933 CZ PHE A 61 -5.648 6.258 2.999 1.00 0.00 C ATOM 0 H PHE A 61 -0.589 2.445 0.486 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.955 3.804 -0.684 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.076 2.298 0.833 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.847 2.499 2.067 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.656 4.174 0.310 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.862 4.392 3.564 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.965 6.026 1.311 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.164 6.252 4.559 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.217 7.067 3.433 1.00 0.00 H new ATOM 943 N VAL A 62 -1.372 5.707 -0.118 1.00 0.00 N ATOM 944 CA VAL A 62 -0.647 6.932 0.341 1.00 0.00 C ATOM 945 C VAL A 62 -1.578 8.132 0.221 1.00 0.00 C ATOM 946 O VAL A 62 -2.491 8.145 -0.579 1.00 0.00 O ATOM 947 CB VAL A 62 0.619 7.158 -0.509 1.00 0.00 C ATOM 948 CG1 VAL A 62 0.624 6.197 -1.699 1.00 0.00 C ATOM 949 CG2 VAL A 62 0.688 8.592 -1.022 1.00 0.00 C ATOM 0 H VAL A 62 -1.608 5.688 -1.110 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.343 6.804 1.380 1.00 0.00 H new ATOM 0 HB VAL A 62 1.487 6.972 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.521 6.362 -2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 62 0.613 5.169 -1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.258 6.375 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.591 8.722 -1.618 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.187 8.800 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.709 9.280 -0.177 1.00 0.00 H new ATOM 959 N ARG A 63 -1.346 9.146 0.998 1.00 0.00 N ATOM 960 CA ARG A 63 -2.210 10.357 0.918 1.00 0.00 C ATOM 961 C ARG A 63 -1.754 11.217 -0.264 1.00 0.00 C ATOM 962 O ARG A 63 -0.667 11.761 -0.263 1.00 0.00 O ATOM 963 CB ARG A 63 -2.077 11.159 2.218 1.00 0.00 C ATOM 964 CG ARG A 63 -2.897 12.451 2.124 1.00 0.00 C ATOM 965 CD ARG A 63 -2.724 13.259 3.411 1.00 0.00 C ATOM 966 NE ARG A 63 -1.299 13.672 3.548 1.00 0.00 N ATOM 967 CZ ARG A 63 -0.969 14.608 4.396 1.00 0.00 C ATOM 968 NH1 ARG A 63 -1.889 15.183 5.123 1.00 0.00 N ATOM 969 NH2 ARG A 63 0.278 14.969 4.516 1.00 0.00 N ATOM 0 H ARG A 63 -0.595 9.192 1.687 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.250 10.064 0.778 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.422 10.560 3.061 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.029 11.396 2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.572 13.039 1.266 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.950 12.216 1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -3.369 14.138 3.391 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.025 12.662 4.272 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.581 13.223 2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.865 14.901 5.028 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.632 15.914 5.786 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.996 14.520 3.947 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.536 15.700 5.179 1.00 0.00 H new ATOM 983 N PHE A 64 -2.572 11.340 -1.272 1.00 0.00 N ATOM 984 CA PHE A 64 -2.181 12.161 -2.451 1.00 0.00 C ATOM 985 C PHE A 64 -2.714 13.585 -2.286 1.00 0.00 C ATOM 986 O PHE A 64 -3.680 13.818 -1.587 1.00 0.00 O ATOM 987 CB PHE A 64 -2.772 11.540 -3.719 1.00 0.00 C ATOM 988 CG PHE A 64 -2.595 10.042 -3.676 1.00 0.00 C ATOM 989 CD1 PHE A 64 -1.374 9.471 -4.055 1.00 0.00 C ATOM 990 CD2 PHE A 64 -3.650 9.223 -3.258 1.00 0.00 C ATOM 991 CE1 PHE A 64 -1.209 8.080 -4.016 1.00 0.00 C ATOM 992 CE2 PHE A 64 -3.486 7.833 -3.220 1.00 0.00 C ATOM 993 CZ PHE A 64 -2.265 7.261 -3.598 1.00 0.00 C ATOM 0 H PHE A 64 -3.494 10.908 -1.330 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.094 12.189 -2.529 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.830 11.790 -3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.280 11.950 -4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.559 10.103 -4.377 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.591 9.663 -2.965 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.267 7.640 -4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.301 7.202 -2.899 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.138 6.189 -3.567 1.00 0.00 H new ATOM 1003 N THR A 65 -2.099 14.540 -2.928 1.00 0.00 N ATOM 1004 CA THR A 65 -2.580 15.946 -2.810 1.00 0.00 C ATOM 1005 C THR A 65 -3.814 16.126 -3.698 1.00 0.00 C ATOM 1006 O THR A 65 -3.953 15.483 -4.720 1.00 0.00 O ATOM 1007 CB THR A 65 -1.477 16.905 -3.264 1.00 0.00 C ATOM 1008 OG1 THR A 65 -0.212 16.286 -3.087 1.00 0.00 O ATOM 1009 CG2 THR A 65 -1.541 18.187 -2.434 1.00 0.00 C ATOM 0 H THR A 65 -1.285 14.408 -3.529 1.00 0.00 H new ATOM 0 HA THR A 65 -2.837 16.162 -1.773 1.00 0.00 H new ATOM 0 HB THR A 65 -1.617 17.150 -4.317 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.495 16.898 -3.379 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.755 18.870 -2.758 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.513 18.661 -2.571 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.401 17.946 -1.380 1.00 0.00 H new ATOM 1017 N THR A 66 -4.708 16.999 -3.315 1.00 0.00 N ATOM 1018 CA THR A 66 -5.933 17.226 -4.134 1.00 0.00 C ATOM 1019 C THR A 66 -5.861 18.607 -4.787 1.00 0.00 C ATOM 1020 O THR A 66 -5.558 18.738 -5.956 1.00 0.00 O ATOM 1021 CB THR A 66 -7.169 17.152 -3.233 1.00 0.00 C ATOM 1022 OG1 THR A 66 -7.205 15.888 -2.585 1.00 0.00 O ATOM 1023 CG2 THR A 66 -8.431 17.333 -4.077 1.00 0.00 C ATOM 0 H THR A 66 -4.642 17.565 -2.469 1.00 0.00 H new ATOM 0 HA THR A 66 -6.000 16.461 -4.908 1.00 0.00 H new ATOM 0 HB THR A 66 -7.121 17.943 -2.484 1.00 0.00 H new ATOM 0 HG1 THR A 66 -7.995 15.839 -2.006 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.309 17.280 -3.434 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.402 18.304 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 66 -8.483 16.544 -4.828 1.00 0.00 H new ATOM 1031 N GLY A 67 -6.138 19.642 -4.041 1.00 0.00 N ATOM 1032 CA GLY A 67 -6.084 21.014 -4.618 1.00 0.00 C ATOM 1033 C GLY A 67 -7.470 21.407 -5.134 1.00 0.00 C ATOM 1034 O GLY A 67 -7.841 22.564 -5.126 1.00 0.00 O ATOM 0 H GLY A 67 -6.399 19.596 -3.056 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.751 21.725 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.358 21.050 -5.431 1.00 0.00 H new ATOM 1038 N ASP A 68 -8.239 20.452 -5.583 1.00 0.00 N ATOM 1039 CA ASP A 68 -9.600 20.773 -6.098 1.00 0.00 C ATOM 1040 C ASP A 68 -10.388 21.524 -5.024 1.00 0.00 C ATOM 1041 O ASP A 68 -10.776 22.662 -5.206 1.00 0.00 O ATOM 1042 CB ASP A 68 -10.330 19.475 -6.452 1.00 0.00 C ATOM 1043 CG ASP A 68 -10.905 19.581 -7.865 1.00 0.00 C ATOM 1044 OD1 ASP A 68 -11.435 20.631 -8.190 1.00 0.00 O ATOM 1045 OD2 ASP A 68 -10.806 18.612 -8.598 1.00 0.00 O ATOM 0 H ASP A 68 -7.984 19.465 -5.615 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.514 21.397 -6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -9.643 18.631 -6.390 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -11.130 19.288 -5.736 1.00 0.00 H new ATOM 1050 N ALA A 69 -10.630 20.898 -3.905 1.00 0.00 N ATOM 1051 CA ALA A 69 -11.393 21.577 -2.820 1.00 0.00 C ATOM 1052 C ALA A 69 -10.866 23.002 -2.639 1.00 0.00 C ATOM 1053 O ALA A 69 -9.723 23.293 -2.935 1.00 0.00 O ATOM 1054 CB ALA A 69 -11.223 20.800 -1.513 1.00 0.00 C ATOM 0 H ALA A 69 -10.332 19.945 -3.695 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.449 21.612 -3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.781 21.297 -0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.600 19.785 -1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.167 20.764 -1.246 1.00 0.00 H new ATOM 1060 N MET A 70 -11.687 23.892 -2.155 1.00 0.00 N ATOM 1061 CA MET A 70 -11.232 25.297 -1.956 1.00 0.00 C ATOM 1062 C MET A 70 -9.874 25.297 -1.249 1.00 0.00 C ATOM 1063 O MET A 70 -8.981 26.042 -1.601 1.00 0.00 O ATOM 1064 CB MET A 70 -12.253 26.047 -1.098 1.00 0.00 C ATOM 1065 CG MET A 70 -11.884 27.530 -1.046 1.00 0.00 C ATOM 1066 SD MET A 70 -12.840 28.345 0.258 1.00 0.00 S ATOM 1067 CE MET A 70 -14.227 28.876 -0.774 1.00 0.00 C ATOM 0 H MET A 70 -12.654 23.707 -1.888 1.00 0.00 H new ATOM 0 HA MET A 70 -11.139 25.790 -2.924 1.00 0.00 H new ATOM 0 HB2 MET A 70 -13.253 25.925 -1.514 1.00 0.00 H new ATOM 0 HB3 MET A 70 -12.273 25.631 -0.091 1.00 0.00 H new ATOM 0 HG2 MET A 70 -10.817 27.644 -0.854 1.00 0.00 H new ATOM 0 HG3 MET A 70 -12.087 28.000 -2.008 1.00 0.00 H new ATOM 0 HE1 MET A 70 -14.953 29.411 -0.161 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.863 29.535 -1.562 1.00 0.00 H new ATOM 0 HE3 MET A 70 -14.703 28.003 -1.221 1.00 0.00 H new ATOM 1077 N SER A 71 -9.712 24.467 -0.255 1.00 0.00 N ATOM 1078 CA SER A 71 -8.412 24.422 0.472 1.00 0.00 C ATOM 1079 C SER A 71 -7.596 23.224 -0.017 1.00 0.00 C ATOM 1080 O SER A 71 -7.559 22.924 -1.194 1.00 0.00 O ATOM 1081 CB SER A 71 -8.671 24.284 1.972 1.00 0.00 C ATOM 1082 OG SER A 71 -9.900 24.922 2.296 1.00 0.00 O ATOM 0 H SER A 71 -10.423 23.819 0.085 1.00 0.00 H new ATOM 0 HA SER A 71 -7.858 25.341 0.282 1.00 0.00 H new ATOM 0 HB2 SER A 71 -8.710 23.231 2.251 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.854 24.734 2.537 1.00 0.00 H new ATOM 0 HG SER A 71 -10.071 24.834 3.257 1.00 0.00 H new ATOM 1088 N LYS A 72 -6.941 22.534 0.878 1.00 0.00 N ATOM 1089 CA LYS A 72 -6.130 21.356 0.464 1.00 0.00 C ATOM 1090 C LYS A 72 -6.916 20.074 0.733 1.00 0.00 C ATOM 1091 O LYS A 72 -7.467 19.469 -0.166 1.00 0.00 O ATOM 1092 CB LYS A 72 -4.823 21.331 1.260 1.00 0.00 C ATOM 1093 CG LYS A 72 -4.236 22.743 1.322 1.00 0.00 C ATOM 1094 CD LYS A 72 -2.846 22.690 1.961 1.00 0.00 C ATOM 1095 CE LYS A 72 -2.379 24.110 2.284 1.00 0.00 C ATOM 1096 NZ LYS A 72 -1.063 24.361 1.631 1.00 0.00 N ATOM 0 H LYS A 72 -6.933 22.736 1.878 1.00 0.00 H new ATOM 0 HA LYS A 72 -5.906 21.426 -0.600 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.005 20.957 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.112 20.650 0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -4.171 23.166 0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -4.890 23.395 1.901 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.875 22.089 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.141 22.209 1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -3.115 24.834 1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -2.292 24.239 3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.745 25.327 1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.364 23.677 1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -1.161 24.254 0.601 1.00 0.00 H new ATOM 1110 N ARG A 73 -6.974 19.654 1.966 1.00 0.00 N ATOM 1111 CA ARG A 73 -7.725 18.410 2.298 1.00 0.00 C ATOM 1112 C ARG A 73 -6.893 17.190 1.896 1.00 0.00 C ATOM 1113 O ARG A 73 -6.790 16.230 2.632 1.00 0.00 O ATOM 1114 CB ARG A 73 -9.051 18.397 1.534 1.00 0.00 C ATOM 1115 CG ARG A 73 -10.138 17.772 2.411 1.00 0.00 C ATOM 1116 CD ARG A 73 -11.478 17.814 1.673 1.00 0.00 C ATOM 1117 NE ARG A 73 -11.339 17.138 0.352 1.00 0.00 N ATOM 1118 CZ ARG A 73 -12.403 16.791 -0.318 1.00 0.00 C ATOM 1119 NH1 ARG A 73 -13.589 17.034 0.168 1.00 0.00 N ATOM 1120 NH2 ARG A 73 -12.281 16.199 -1.475 1.00 0.00 N ATOM 0 H ARG A 73 -6.533 20.119 2.760 1.00 0.00 H new ATOM 0 HA ARG A 73 -7.922 18.379 3.370 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -9.333 19.412 1.255 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.945 17.831 0.609 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.877 16.742 2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -10.214 18.312 3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -12.248 17.321 2.267 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -11.796 18.847 1.533 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.412 16.947 -0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -13.685 17.496 1.072 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -14.421 16.762 -0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -11.354 16.008 -1.855 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.113 15.927 -1.999 1.00 0.00 H new ATOM 1134 N SER A 74 -6.299 17.221 0.735 1.00 0.00 N ATOM 1135 CA SER A 74 -5.476 16.062 0.289 1.00 0.00 C ATOM 1136 C SER A 74 -6.396 14.902 -0.100 1.00 0.00 C ATOM 1137 O SER A 74 -7.502 14.786 0.390 1.00 0.00 O ATOM 1138 CB SER A 74 -4.558 15.622 1.429 1.00 0.00 C ATOM 1139 OG SER A 74 -3.323 15.170 0.889 1.00 0.00 O ATOM 0 H SER A 74 -6.348 17.998 0.076 1.00 0.00 H new ATOM 0 HA SER A 74 -4.874 16.353 -0.572 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.386 16.452 2.114 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.030 14.826 2.005 1.00 0.00 H new ATOM 0 HG SER A 74 -3.486 14.709 0.040 1.00 0.00 H new ATOM 1145 N LYS A 75 -5.950 14.049 -0.981 1.00 0.00 N ATOM 1146 CA LYS A 75 -6.803 12.903 -1.407 1.00 0.00 C ATOM 1147 C LYS A 75 -6.302 11.612 -0.758 1.00 0.00 C ATOM 1148 O LYS A 75 -5.160 11.506 -0.356 1.00 0.00 O ATOM 1149 CB LYS A 75 -6.745 12.761 -2.929 1.00 0.00 C ATOM 1150 CG LYS A 75 -8.122 12.351 -3.457 1.00 0.00 C ATOM 1151 CD LYS A 75 -8.987 13.598 -3.650 1.00 0.00 C ATOM 1152 CE LYS A 75 -10.360 13.189 -4.185 1.00 0.00 C ATOM 1153 NZ LYS A 75 -10.640 13.927 -5.450 1.00 0.00 N ATOM 0 H LYS A 75 -5.032 14.096 -1.424 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.831 13.087 -1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -6.436 13.704 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.000 12.015 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.017 11.819 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.602 11.667 -2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.097 14.127 -2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.504 14.285 -4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.387 12.114 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.130 13.408 -3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.574 13.649 -5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.631 14.950 -5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.911 13.697 -6.155 1.00 0.00 H new ATOM 1167 N PHE A 76 -7.154 10.631 -0.653 1.00 0.00 N ATOM 1168 CA PHE A 76 -6.747 9.340 -0.031 1.00 0.00 C ATOM 1169 C PHE A 76 -7.224 8.184 -0.919 1.00 0.00 C ATOM 1170 O PHE A 76 -8.399 8.043 -1.182 1.00 0.00 O ATOM 1171 CB PHE A 76 -7.386 9.229 1.352 1.00 0.00 C ATOM 1172 CG PHE A 76 -6.803 10.278 2.269 1.00 0.00 C ATOM 1173 CD1 PHE A 76 -5.655 9.992 3.019 1.00 0.00 C ATOM 1174 CD2 PHE A 76 -7.413 11.534 2.375 1.00 0.00 C ATOM 1175 CE1 PHE A 76 -5.118 10.962 3.873 1.00 0.00 C ATOM 1176 CE2 PHE A 76 -6.876 12.503 3.230 1.00 0.00 C ATOM 1177 CZ PHE A 76 -5.727 12.217 3.979 1.00 0.00 C ATOM 0 H PHE A 76 -8.122 10.668 -0.974 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.662 9.296 0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.466 9.359 1.276 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.213 8.235 1.764 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -5.184 9.023 2.938 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.298 11.755 1.797 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.233 10.741 4.451 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -7.347 13.471 3.312 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.312 12.965 4.638 1.00 0.00 H new ATOM 1187 N ALA A 77 -6.321 7.377 -1.410 1.00 0.00 N ATOM 1188 CA ALA A 77 -6.742 6.263 -2.307 1.00 0.00 C ATOM 1189 C ALA A 77 -5.881 5.021 -2.077 1.00 0.00 C ATOM 1190 O ALA A 77 -4.760 5.101 -1.615 1.00 0.00 O ATOM 1191 CB ALA A 77 -6.598 6.710 -3.762 1.00 0.00 C ATOM 0 H ALA A 77 -5.319 7.440 -1.231 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.780 6.012 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.904 5.900 -4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.229 7.581 -3.939 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -5.558 6.968 -3.962 1.00 0.00 H new ATOM 1197 N LEU A 78 -6.401 3.874 -2.421 1.00 0.00 N ATOM 1198 CA LEU A 78 -5.628 2.613 -2.257 1.00 0.00 C ATOM 1199 C LEU A 78 -5.181 2.143 -3.640 1.00 0.00 C ATOM 1200 O LEU A 78 -5.771 2.502 -4.639 1.00 0.00 O ATOM 1201 CB LEU A 78 -6.521 1.545 -1.620 1.00 0.00 C ATOM 1202 CG LEU A 78 -5.759 0.222 -1.534 1.00 0.00 C ATOM 1203 CD1 LEU A 78 -6.057 -0.454 -0.194 1.00 0.00 C ATOM 1204 CD2 LEU A 78 -6.202 -0.698 -2.675 1.00 0.00 C ATOM 0 H LEU A 78 -7.336 3.757 -2.812 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.762 2.782 -1.616 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.831 1.863 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.428 1.416 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.689 0.415 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.514 -1.397 -0.133 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.743 0.199 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.127 -0.646 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.659 -1.641 -2.614 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.272 -0.890 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -5.991 -0.219 -3.631 1.00 0.00 H new ATOM 1216 N ILE A 79 -4.148 1.349 -3.720 1.00 0.00 N ATOM 1217 CA ILE A 79 -3.684 0.874 -5.052 1.00 0.00 C ATOM 1218 C ILE A 79 -3.340 -0.614 -4.960 1.00 0.00 C ATOM 1219 O ILE A 79 -2.671 -1.049 -4.043 1.00 0.00 O ATOM 1220 CB ILE A 79 -2.455 1.685 -5.469 1.00 0.00 C ATOM 1221 CG1 ILE A 79 -2.861 3.156 -5.581 1.00 0.00 C ATOM 1222 CG2 ILE A 79 -1.936 1.192 -6.824 1.00 0.00 C ATOM 1223 CD1 ILE A 79 -1.692 3.976 -6.124 1.00 0.00 C ATOM 0 H ILE A 79 -3.608 1.011 -2.924 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.467 1.009 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 79 -1.665 1.566 -4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.724 3.255 -6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.160 3.535 -4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.061 1.775 -7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.662 0.140 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.715 1.310 -7.577 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.987 5.023 -6.202 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.841 3.888 -5.449 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.413 3.604 -7.110 1.00 0.00 H new ATOM 1235 N THR A 80 -3.796 -1.401 -5.896 1.00 0.00 N ATOM 1236 CA THR A 80 -3.500 -2.860 -5.850 1.00 0.00 C ATOM 1237 C THR A 80 -2.279 -3.165 -6.720 1.00 0.00 C ATOM 1238 O THR A 80 -2.292 -2.954 -7.915 1.00 0.00 O ATOM 1239 CB THR A 80 -4.706 -3.641 -6.377 1.00 0.00 C ATOM 1240 OG1 THR A 80 -5.900 -2.960 -6.020 1.00 0.00 O ATOM 1241 CG2 THR A 80 -4.714 -5.045 -5.770 1.00 0.00 C ATOM 0 H THR A 80 -4.360 -1.097 -6.689 1.00 0.00 H new ATOM 0 HA THR A 80 -3.294 -3.154 -4.821 1.00 0.00 H new ATOM 0 HB THR A 80 -4.643 -3.720 -7.462 1.00 0.00 H new ATOM 0 HG1 THR A 80 -6.674 -3.457 -6.358 1.00 0.00 H new ATOM 0 HG21 THR A 80 -5.574 -5.599 -6.147 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.797 -5.566 -6.046 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.777 -4.972 -4.684 1.00 0.00 H new ATOM 1249 N TRP A 81 -1.220 -3.659 -6.133 1.00 0.00 N ATOM 1250 CA TRP A 81 -0.011 -3.968 -6.946 1.00 0.00 C ATOM 1251 C TRP A 81 -0.050 -5.429 -7.394 1.00 0.00 C ATOM 1252 O TRP A 81 0.100 -6.330 -6.596 1.00 0.00 O ATOM 1253 CB TRP A 81 1.254 -3.751 -6.106 1.00 0.00 C ATOM 1254 CG TRP A 81 2.456 -4.007 -6.956 1.00 0.00 C ATOM 1255 CD1 TRP A 81 3.375 -4.969 -6.716 1.00 0.00 C ATOM 1256 CD2 TRP A 81 2.886 -3.323 -8.170 1.00 0.00 C ATOM 1257 NE1 TRP A 81 4.335 -4.928 -7.709 1.00 0.00 N ATOM 1258 CE2 TRP A 81 4.079 -3.931 -8.628 1.00 0.00 C ATOM 1259 CE3 TRP A 81 2.362 -2.249 -8.914 1.00 0.00 C ATOM 1260 CZ2 TRP A 81 4.727 -3.492 -9.781 1.00 0.00 C ATOM 1261 CZ3 TRP A 81 3.015 -1.804 -10.075 1.00 0.00 C ATOM 1262 CH2 TRP A 81 4.194 -2.425 -10.508 1.00 0.00 C ATOM 0 H TRP A 81 -1.142 -3.860 -5.136 1.00 0.00 H new ATOM 0 HA TRP A 81 0.003 -3.310 -7.815 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.278 -2.733 -5.718 1.00 0.00 H new ATOM 0 HB3 TRP A 81 1.253 -4.420 -5.245 1.00 0.00 H new ATOM 0 HD1 TRP A 81 3.361 -5.657 -5.884 1.00 0.00 H new ATOM 0 HE1 TRP A 81 5.136 -5.558 -7.757 1.00 0.00 H new ATOM 0 HE3 TRP A 81 1.453 -1.765 -8.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.636 -3.974 -10.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 2.606 -0.978 -10.638 1.00 0.00 H new ATOM 0 HH2 TRP A 81 4.690 -2.079 -11.403 1.00 0.00 H new ATOM 1273 N ILE A 82 -0.245 -5.670 -8.661 1.00 0.00 N ATOM 1274 CA ILE A 82 -0.279 -7.076 -9.152 1.00 0.00 C ATOM 1275 C ILE A 82 1.029 -7.370 -9.888 1.00 0.00 C ATOM 1276 O ILE A 82 1.162 -7.113 -11.068 1.00 0.00 O ATOM 1277 CB ILE A 82 -1.457 -7.262 -10.110 1.00 0.00 C ATOM 1278 CG1 ILE A 82 -2.757 -6.855 -9.410 1.00 0.00 C ATOM 1279 CG2 ILE A 82 -1.545 -8.731 -10.525 1.00 0.00 C ATOM 1280 CD1 ILE A 82 -3.318 -8.050 -8.638 1.00 0.00 C ATOM 0 H ILE A 82 -0.382 -4.956 -9.376 1.00 0.00 H new ATOM 0 HA ILE A 82 -0.396 -7.758 -8.310 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.309 -6.639 -10.992 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.571 -6.024 -8.729 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.485 -6.509 -10.144 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.384 -8.867 -11.208 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.621 -9.024 -11.023 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.693 -9.351 -9.641 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -4.243 -7.760 -8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -3.519 -8.868 -9.330 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.592 -8.375 -7.893 1.00 0.00 H new ATOM 1292 N GLY A 83 2.002 -7.900 -9.198 1.00 0.00 N ATOM 1293 CA GLY A 83 3.305 -8.202 -9.856 1.00 0.00 C ATOM 1294 C GLY A 83 3.082 -9.155 -11.030 1.00 0.00 C ATOM 1295 O GLY A 83 2.109 -9.881 -11.078 1.00 0.00 O ATOM 0 H GLY A 83 1.951 -8.137 -8.207 1.00 0.00 H new ATOM 0 HA2 GLY A 83 3.768 -7.280 -10.207 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.991 -8.650 -9.137 1.00 0.00 H new ATOM 1299 N GLU A 84 3.976 -9.158 -11.981 1.00 0.00 N ATOM 1300 CA GLU A 84 3.816 -10.063 -13.154 1.00 0.00 C ATOM 1301 C GLU A 84 4.240 -11.482 -12.770 1.00 0.00 C ATOM 1302 O GLU A 84 3.516 -12.435 -12.980 1.00 0.00 O ATOM 1303 CB GLU A 84 4.692 -9.564 -14.306 1.00 0.00 C ATOM 1304 CG GLU A 84 4.310 -8.123 -14.650 1.00 0.00 C ATOM 1305 CD GLU A 84 3.360 -8.118 -15.848 1.00 0.00 C ATOM 1306 OE1 GLU A 84 3.832 -8.323 -16.954 1.00 0.00 O ATOM 1307 OE2 GLU A 84 2.176 -7.910 -15.640 1.00 0.00 O ATOM 0 H GLU A 84 4.811 -8.572 -11.996 1.00 0.00 H new ATOM 0 HA GLU A 84 2.772 -10.069 -13.466 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.744 -9.616 -14.026 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.563 -10.204 -15.179 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.833 -7.648 -13.793 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.204 -7.544 -14.879 1.00 0.00 H new ATOM 1314 N ASP A 85 5.409 -11.632 -12.209 1.00 0.00 N ATOM 1315 CA ASP A 85 5.877 -12.992 -11.813 1.00 0.00 C ATOM 1316 C ASP A 85 5.004 -13.523 -10.675 1.00 0.00 C ATOM 1317 O ASP A 85 5.485 -14.147 -9.750 1.00 0.00 O ATOM 1318 CB ASP A 85 7.333 -12.914 -11.346 1.00 0.00 C ATOM 1319 CG ASP A 85 8.057 -14.211 -11.710 1.00 0.00 C ATOM 1320 OD1 ASP A 85 7.891 -14.663 -12.832 1.00 0.00 O ATOM 1321 OD2 ASP A 85 8.763 -14.729 -10.863 1.00 0.00 O ATOM 0 H ASP A 85 6.060 -10.873 -12.008 1.00 0.00 H new ATOM 0 HA ASP A 85 5.804 -13.664 -12.668 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.831 -12.064 -11.813 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.372 -12.754 -10.269 1.00 0.00 H new ATOM 1326 N VAL A 86 3.724 -13.277 -10.732 1.00 0.00 N ATOM 1327 CA VAL A 86 2.821 -13.761 -9.650 1.00 0.00 C ATOM 1328 C VAL A 86 2.174 -15.085 -10.070 1.00 0.00 C ATOM 1329 O VAL A 86 2.074 -15.395 -11.240 1.00 0.00 O ATOM 1330 CB VAL A 86 1.733 -12.717 -9.400 1.00 0.00 C ATOM 1331 CG1 VAL A 86 0.737 -13.249 -8.370 1.00 0.00 C ATOM 1332 CG2 VAL A 86 2.376 -11.435 -8.869 1.00 0.00 C ATOM 0 H VAL A 86 3.264 -12.761 -11.482 1.00 0.00 H new ATOM 0 HA VAL A 86 3.397 -13.918 -8.738 1.00 0.00 H new ATOM 0 HB VAL A 86 1.210 -12.507 -10.333 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.038 -12.503 -8.194 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.280 -14.165 -8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.257 -13.460 -7.436 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.603 -10.688 -8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.898 -11.649 -7.936 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.086 -11.053 -9.603 1.00 0.00 H new ATOM 1342 N SER A 87 1.734 -15.867 -9.120 1.00 0.00 N ATOM 1343 CA SER A 87 1.093 -17.169 -9.460 1.00 0.00 C ATOM 1344 C SER A 87 -0.429 -17.017 -9.408 1.00 0.00 C ATOM 1345 O SER A 87 -0.954 -15.923 -9.455 1.00 0.00 O ATOM 1346 CB SER A 87 1.535 -18.233 -8.454 1.00 0.00 C ATOM 1347 OG SER A 87 1.445 -17.701 -7.139 1.00 0.00 O ATOM 0 H SER A 87 1.791 -15.659 -8.123 1.00 0.00 H new ATOM 0 HA SER A 87 1.393 -17.471 -10.463 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.906 -19.119 -8.544 1.00 0.00 H new ATOM 0 HB3 SER A 87 2.558 -18.545 -8.663 1.00 0.00 H new ATOM 0 HG SER A 87 1.726 -18.381 -6.491 1.00 0.00 H new ATOM 1353 N GLY A 88 -1.144 -18.105 -9.311 1.00 0.00 N ATOM 1354 CA GLY A 88 -2.632 -18.016 -9.259 1.00 0.00 C ATOM 1355 C GLY A 88 -3.085 -17.745 -7.823 1.00 0.00 C ATOM 1356 O GLY A 88 -4.209 -17.354 -7.581 1.00 0.00 O ATOM 0 H GLY A 88 -0.763 -19.050 -9.266 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.981 -17.220 -9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.074 -18.945 -9.620 1.00 0.00 H new ATOM 1360 N LEU A 89 -2.222 -17.950 -6.865 1.00 0.00 N ATOM 1361 CA LEU A 89 -2.614 -17.701 -5.450 1.00 0.00 C ATOM 1362 C LEU A 89 -3.317 -16.345 -5.348 1.00 0.00 C ATOM 1363 O LEU A 89 -4.421 -16.244 -4.851 1.00 0.00 O ATOM 1364 CB LEU A 89 -1.364 -17.696 -4.567 1.00 0.00 C ATOM 1365 CG LEU A 89 -1.128 -19.100 -4.008 1.00 0.00 C ATOM 1366 CD1 LEU A 89 -0.845 -20.067 -5.159 1.00 0.00 C ATOM 1367 CD2 LEU A 89 0.072 -19.074 -3.059 1.00 0.00 C ATOM 0 H LEU A 89 -1.266 -18.278 -7.001 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.290 -18.488 -5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.498 -17.373 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.485 -16.984 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.015 -19.429 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.677 -21.068 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.698 -20.085 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.042 -19.738 -5.701 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.242 -20.074 -2.660 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.958 -18.745 -3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.128 -18.385 -2.239 1.00 0.00 H new ATOM 1379 N GLN A 90 -2.687 -15.304 -5.817 1.00 0.00 N ATOM 1380 CA GLN A 90 -3.320 -13.956 -5.751 1.00 0.00 C ATOM 1381 C GLN A 90 -4.669 -13.998 -6.475 1.00 0.00 C ATOM 1382 O GLN A 90 -5.610 -13.340 -6.084 1.00 0.00 O ATOM 1383 CB GLN A 90 -2.376 -12.930 -6.405 1.00 0.00 C ATOM 1384 CG GLN A 90 -3.125 -12.023 -7.396 1.00 0.00 C ATOM 1385 CD GLN A 90 -3.468 -12.803 -8.671 1.00 0.00 C ATOM 1386 OE1 GLN A 90 -2.930 -13.975 -8.876 1.00 0.00 O flip ATOM 1387 NE2 GLN A 90 -4.236 -12.338 -9.489 1.00 0.00 N flip ATOM 0 H GLN A 90 -1.761 -15.328 -6.243 1.00 0.00 H new ATOM 0 HA GLN A 90 -3.493 -13.664 -4.715 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.910 -12.319 -5.632 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -1.573 -13.453 -6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.038 -11.644 -6.936 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -2.511 -11.158 -7.644 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.657 -11.423 -9.330 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.460 -12.863 -10.334 1.00 0.00 H new ATOM 1396 N ARG A 91 -4.771 -14.756 -7.528 1.00 0.00 N ATOM 1397 CA ARG A 91 -6.061 -14.817 -8.273 1.00 0.00 C ATOM 1398 C ARG A 91 -7.221 -15.019 -7.294 1.00 0.00 C ATOM 1399 O ARG A 91 -8.101 -14.189 -7.185 1.00 0.00 O ATOM 1400 CB ARG A 91 -6.023 -15.977 -9.272 1.00 0.00 C ATOM 1401 CG ARG A 91 -6.642 -15.536 -10.602 1.00 0.00 C ATOM 1402 CD ARG A 91 -8.130 -15.235 -10.399 1.00 0.00 C ATOM 1403 NE ARG A 91 -8.943 -15.909 -11.461 1.00 0.00 N ATOM 1404 CZ ARG A 91 -8.583 -15.865 -12.717 1.00 0.00 C ATOM 1405 NH1 ARG A 91 -7.546 -15.162 -13.084 1.00 0.00 N ATOM 1406 NH2 ARG A 91 -9.279 -16.509 -13.614 1.00 0.00 N ATOM 0 H ARG A 91 -4.021 -15.335 -7.906 1.00 0.00 H new ATOM 0 HA ARG A 91 -6.207 -13.880 -8.810 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.994 -16.301 -9.429 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.569 -16.832 -8.872 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -6.129 -14.651 -10.978 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -6.517 -16.319 -11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.447 -15.579 -9.415 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -8.298 -14.159 -10.430 1.00 0.00 H new ATOM 0 HE ARG A 91 -9.792 -16.411 -11.200 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -7.010 -14.642 -12.389 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -7.271 -15.133 -14.066 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.101 -17.044 -13.334 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -9.001 -16.477 -14.595 1.00 0.00 H new ATOM 1420 N ALA A 92 -7.240 -16.118 -6.592 1.00 0.00 N ATOM 1421 CA ALA A 92 -8.356 -16.369 -5.635 1.00 0.00 C ATOM 1422 C ALA A 92 -8.081 -15.659 -4.307 1.00 0.00 C ATOM 1423 O ALA A 92 -8.973 -15.108 -3.693 1.00 0.00 O ATOM 1424 CB ALA A 92 -8.483 -17.874 -5.390 1.00 0.00 C ATOM 0 H ALA A 92 -6.533 -16.852 -6.639 1.00 0.00 H new ATOM 0 HA ALA A 92 -9.283 -15.983 -6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -9.298 -18.061 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -8.690 -18.380 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.551 -18.254 -4.971 1.00 0.00 H new ATOM 1430 N LYS A 93 -6.861 -15.681 -3.847 1.00 0.00 N ATOM 1431 CA LYS A 93 -6.542 -15.023 -2.547 1.00 0.00 C ATOM 1432 C LYS A 93 -6.832 -13.521 -2.626 1.00 0.00 C ATOM 1433 O LYS A 93 -7.620 -12.996 -1.865 1.00 0.00 O ATOM 1434 CB LYS A 93 -5.065 -15.238 -2.214 1.00 0.00 C ATOM 1435 CG LYS A 93 -4.796 -16.733 -2.030 1.00 0.00 C ATOM 1436 CD LYS A 93 -5.039 -17.119 -0.569 1.00 0.00 C ATOM 1437 CE LYS A 93 -4.720 -18.602 -0.373 1.00 0.00 C ATOM 1438 NZ LYS A 93 -5.087 -19.009 1.014 1.00 0.00 N ATOM 0 H LYS A 93 -6.071 -16.126 -4.314 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.164 -15.464 -1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -4.439 -14.841 -3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -4.803 -14.696 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.447 -17.314 -2.684 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -3.770 -16.966 -2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.415 -16.512 0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.076 -16.920 -0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.270 -19.202 -1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.660 -18.783 -0.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.871 -20.017 1.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.543 -18.444 1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -6.104 -18.850 1.165 1.00 0.00 H new ATOM 1452 N THR A 94 -6.201 -12.820 -3.528 1.00 0.00 N ATOM 1453 CA THR A 94 -6.451 -11.353 -3.627 1.00 0.00 C ATOM 1454 C THR A 94 -7.945 -11.102 -3.822 1.00 0.00 C ATOM 1455 O THR A 94 -8.542 -10.292 -3.143 1.00 0.00 O ATOM 1456 CB THR A 94 -5.678 -10.775 -4.816 1.00 0.00 C ATOM 1457 OG1 THR A 94 -4.315 -11.165 -4.725 1.00 0.00 O ATOM 1458 CG2 THR A 94 -5.776 -9.248 -4.806 1.00 0.00 C ATOM 0 H THR A 94 -5.528 -13.195 -4.196 1.00 0.00 H new ATOM 0 HA THR A 94 -6.116 -10.869 -2.710 1.00 0.00 H new ATOM 0 HB THR A 94 -6.106 -11.154 -5.744 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.851 -10.585 -4.085 1.00 0.00 H new ATOM 0 HG21 THR A 94 -5.224 -8.842 -5.654 1.00 0.00 H new ATOM 0 HG22 THR A 94 -6.822 -8.950 -4.878 1.00 0.00 H new ATOM 0 HG23 THR A 94 -5.352 -8.862 -3.879 1.00 0.00 H new ATOM 1466 N GLY A 95 -8.553 -11.790 -4.746 1.00 0.00 N ATOM 1467 CA GLY A 95 -10.009 -11.592 -4.992 1.00 0.00 C ATOM 1468 C GLY A 95 -10.761 -11.519 -3.661 1.00 0.00 C ATOM 1469 O GLY A 95 -11.392 -10.531 -3.346 1.00 0.00 O ATOM 0 H GLY A 95 -8.104 -12.483 -5.344 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -10.169 -10.675 -5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -10.399 -12.412 -5.595 1.00 0.00 H new ATOM 1473 N THR A 96 -10.726 -12.568 -2.892 1.00 0.00 N ATOM 1474 CA THR A 96 -11.464 -12.571 -1.598 1.00 0.00 C ATOM 1475 C THR A 96 -10.883 -11.533 -0.628 1.00 0.00 C ATOM 1476 O THR A 96 -11.611 -10.772 -0.022 1.00 0.00 O ATOM 1477 CB THR A 96 -11.366 -13.961 -0.965 1.00 0.00 C ATOM 1478 OG1 THR A 96 -9.998 -14.284 -0.748 1.00 0.00 O ATOM 1479 CG2 THR A 96 -11.995 -14.995 -1.899 1.00 0.00 C ATOM 0 H THR A 96 -10.217 -13.427 -3.103 1.00 0.00 H new ATOM 0 HA THR A 96 -12.505 -12.316 -1.794 1.00 0.00 H new ATOM 0 HB THR A 96 -11.897 -13.966 -0.013 1.00 0.00 H new ATOM 0 HG1 THR A 96 -9.700 -13.893 0.100 1.00 0.00 H new ATOM 0 HG21 THR A 96 -11.924 -15.984 -1.447 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.043 -14.746 -2.065 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.467 -14.993 -2.852 1.00 0.00 H new ATOM 1487 N ASP A 97 -9.592 -11.517 -0.441 1.00 0.00 N ATOM 1488 CA ASP A 97 -8.989 -10.558 0.529 1.00 0.00 C ATOM 1489 C ASP A 97 -9.145 -9.113 0.055 1.00 0.00 C ATOM 1490 O ASP A 97 -9.445 -8.232 0.836 1.00 0.00 O ATOM 1491 CB ASP A 97 -7.501 -10.875 0.690 1.00 0.00 C ATOM 1492 CG ASP A 97 -7.287 -12.387 0.597 1.00 0.00 C ATOM 1493 OD1 ASP A 97 -8.266 -13.110 0.690 1.00 0.00 O ATOM 1494 OD2 ASP A 97 -6.149 -12.795 0.434 1.00 0.00 O ATOM 0 H ASP A 97 -8.928 -12.127 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 97 -9.508 -10.664 1.482 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -6.925 -10.367 -0.084 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -7.141 -10.505 1.650 1.00 0.00 H new ATOM 1499 N LYS A 98 -8.939 -8.843 -1.203 1.00 0.00 N ATOM 1500 CA LYS A 98 -9.078 -7.437 -1.668 1.00 0.00 C ATOM 1501 C LYS A 98 -10.508 -6.958 -1.403 1.00 0.00 C ATOM 1502 O LYS A 98 -10.768 -5.776 -1.289 1.00 0.00 O ATOM 1503 CB LYS A 98 -8.731 -7.340 -3.159 1.00 0.00 C ATOM 1504 CG LYS A 98 -9.814 -7.990 -4.030 1.00 0.00 C ATOM 1505 CD LYS A 98 -10.433 -6.944 -4.963 1.00 0.00 C ATOM 1506 CE LYS A 98 -11.316 -5.991 -4.158 1.00 0.00 C ATOM 1507 NZ LYS A 98 -12.123 -5.154 -5.090 1.00 0.00 N ATOM 0 H LYS A 98 -8.684 -9.523 -1.919 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.387 -6.796 -1.121 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.616 -6.293 -3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.773 -7.827 -3.343 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.383 -8.802 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -10.586 -8.428 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -9.647 -6.385 -5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.023 -7.436 -5.736 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -11.974 -6.557 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -10.699 -5.355 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.075 -5.016 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -11.662 -4.230 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.195 -5.631 -6.011 1.00 0.00 H new ATOM 1521 N THR A 99 -11.433 -7.872 -1.284 1.00 0.00 N ATOM 1522 CA THR A 99 -12.841 -7.475 -1.005 1.00 0.00 C ATOM 1523 C THR A 99 -12.997 -7.234 0.497 1.00 0.00 C ATOM 1524 O THR A 99 -13.895 -6.544 0.936 1.00 0.00 O ATOM 1525 CB THR A 99 -13.787 -8.594 -1.446 1.00 0.00 C ATOM 1526 OG1 THR A 99 -13.183 -9.335 -2.499 1.00 0.00 O ATOM 1527 CG2 THR A 99 -15.104 -7.990 -1.935 1.00 0.00 C ATOM 0 H THR A 99 -11.274 -8.876 -1.368 1.00 0.00 H new ATOM 0 HA THR A 99 -13.085 -6.565 -1.554 1.00 0.00 H new ATOM 0 HB THR A 99 -13.985 -9.255 -0.603 1.00 0.00 H new ATOM 0 HG1 THR A 99 -12.532 -9.965 -2.124 1.00 0.00 H new ATOM 0 HG21 THR A 99 -15.776 -8.789 -2.249 1.00 0.00 H new ATOM 0 HG22 THR A 99 -15.566 -7.423 -1.127 1.00 0.00 H new ATOM 0 HG23 THR A 99 -14.909 -7.327 -2.778 1.00 0.00 H new ATOM 1535 N LEU A 100 -12.121 -7.794 1.287 1.00 0.00 N ATOM 1536 CA LEU A 100 -12.212 -7.595 2.760 1.00 0.00 C ATOM 1537 C LEU A 100 -11.540 -6.274 3.133 1.00 0.00 C ATOM 1538 O LEU A 100 -12.167 -5.374 3.655 1.00 0.00 O ATOM 1539 CB LEU A 100 -11.505 -8.746 3.483 1.00 0.00 C ATOM 1540 CG LEU A 100 -12.441 -9.952 3.567 1.00 0.00 C ATOM 1541 CD1 LEU A 100 -11.655 -11.231 3.273 1.00 0.00 C ATOM 1542 CD2 LEU A 100 -13.036 -10.033 4.974 1.00 0.00 C ATOM 0 H LEU A 100 -11.347 -8.380 0.975 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.260 -7.573 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.593 -9.017 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.209 -8.433 4.484 1.00 0.00 H new ATOM 0 HG LEU A 100 -13.242 -9.843 2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.323 -12.090 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -11.227 -11.173 2.272 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.854 -11.342 4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -13.704 -10.892 5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.233 -10.143 5.703 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.595 -9.122 5.185 1.00 0.00 H new ATOM 1554 N VAL A 101 -10.265 -6.151 2.877 1.00 0.00 N ATOM 1555 CA VAL A 101 -9.553 -4.890 3.226 1.00 0.00 C ATOM 1556 C VAL A 101 -10.369 -3.684 2.759 1.00 0.00 C ATOM 1557 O VAL A 101 -10.565 -2.735 3.491 1.00 0.00 O ATOM 1558 CB VAL A 101 -8.185 -4.872 2.541 1.00 0.00 C ATOM 1559 CG1 VAL A 101 -8.373 -4.736 1.029 1.00 0.00 C ATOM 1560 CG2 VAL A 101 -7.370 -3.685 3.060 1.00 0.00 C ATOM 0 H VAL A 101 -9.687 -6.870 2.441 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.424 -4.839 4.307 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.658 -5.800 2.761 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -7.398 -4.723 0.541 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.954 -5.580 0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.901 -3.808 0.810 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.395 -3.672 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.898 -2.757 2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.235 -3.780 4.138 1.00 0.00 H new ATOM 1570 N LYS A 102 -10.848 -3.713 1.547 1.00 0.00 N ATOM 1571 CA LYS A 102 -11.650 -2.567 1.035 1.00 0.00 C ATOM 1572 C LYS A 102 -12.964 -2.470 1.815 1.00 0.00 C ATOM 1573 O LYS A 102 -13.389 -1.401 2.204 1.00 0.00 O ATOM 1574 CB LYS A 102 -11.953 -2.786 -0.448 1.00 0.00 C ATOM 1575 CG LYS A 102 -12.532 -1.503 -1.046 1.00 0.00 C ATOM 1576 CD LYS A 102 -13.672 -1.855 -2.005 1.00 0.00 C ATOM 1577 CE LYS A 102 -13.212 -2.955 -2.964 1.00 0.00 C ATOM 1578 NZ LYS A 102 -13.733 -2.671 -4.330 1.00 0.00 N ATOM 0 H LYS A 102 -10.719 -4.481 0.888 1.00 0.00 H new ATOM 0 HA LYS A 102 -11.086 -1.643 1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.043 -3.068 -0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -12.660 -3.607 -0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -12.899 -0.852 -0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.754 -0.953 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -14.544 -2.189 -1.443 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -13.975 -0.971 -2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.123 -3.005 -2.981 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.571 -3.925 -2.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -13.002 -2.897 -5.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -14.577 -3.253 -4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.985 -1.665 -4.403 1.00 0.00 H new ATOM 1592 N GLU A 103 -13.615 -3.577 2.037 1.00 0.00 N ATOM 1593 CA GLU A 103 -14.908 -3.552 2.781 1.00 0.00 C ATOM 1594 C GLU A 103 -14.768 -2.714 4.053 1.00 0.00 C ATOM 1595 O GLU A 103 -15.351 -1.654 4.176 1.00 0.00 O ATOM 1596 CB GLU A 103 -15.306 -4.982 3.156 1.00 0.00 C ATOM 1597 CG GLU A 103 -16.292 -5.526 2.122 1.00 0.00 C ATOM 1598 CD GLU A 103 -16.512 -7.020 2.363 1.00 0.00 C ATOM 1599 OE1 GLU A 103 -16.528 -7.419 3.516 1.00 0.00 O ATOM 1600 OE2 GLU A 103 -16.659 -7.742 1.390 1.00 0.00 O ATOM 0 H GLU A 103 -13.308 -4.502 1.735 1.00 0.00 H new ATOM 0 HA GLU A 103 -15.675 -3.109 2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -14.421 -5.617 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -15.758 -4.997 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -17.240 -4.992 2.192 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -15.907 -5.362 1.115 1.00 0.00 H new ATOM 1607 N VAL A 104 -14.011 -3.183 5.006 1.00 0.00 N ATOM 1608 CA VAL A 104 -13.847 -2.415 6.273 1.00 0.00 C ATOM 1609 C VAL A 104 -12.939 -1.207 6.040 1.00 0.00 C ATOM 1610 O VAL A 104 -12.086 -0.902 6.849 1.00 0.00 O ATOM 1611 CB VAL A 104 -13.224 -3.316 7.339 1.00 0.00 C ATOM 1612 CG1 VAL A 104 -11.813 -3.716 6.907 1.00 0.00 C ATOM 1613 CG2 VAL A 104 -13.156 -2.559 8.667 1.00 0.00 C ATOM 0 H VAL A 104 -13.499 -4.064 4.963 1.00 0.00 H new ATOM 0 HA VAL A 104 -14.825 -2.070 6.608 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.833 -4.211 7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.368 -4.359 7.667 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.861 -4.254 5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -11.202 -2.821 6.786 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.712 -3.200 9.429 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -12.546 -1.664 8.545 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.162 -2.273 8.975 1.00 0.00 H new ATOM 1623 N VAL A 105 -13.116 -0.518 4.945 1.00 0.00 N ATOM 1624 CA VAL A 105 -12.262 0.674 4.665 1.00 0.00 C ATOM 1625 C VAL A 105 -13.142 1.915 4.515 1.00 0.00 C ATOM 1626 O VAL A 105 -14.349 1.830 4.401 1.00 0.00 O ATOM 1627 CB VAL A 105 -11.461 0.445 3.378 1.00 0.00 C ATOM 1628 CG1 VAL A 105 -12.158 1.122 2.194 1.00 0.00 C ATOM 1629 CG2 VAL A 105 -10.059 1.036 3.546 1.00 0.00 C ATOM 0 H VAL A 105 -13.814 -0.728 4.232 1.00 0.00 H new ATOM 0 HA VAL A 105 -11.571 0.824 5.494 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.394 -0.626 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.580 0.952 1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -13.157 0.703 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -12.234 2.193 2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.485 0.876 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.136 2.105 3.743 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.556 0.548 4.381 1.00 0.00 H new ATOM 1639 N GLN A 106 -12.534 3.066 4.515 1.00 0.00 N ATOM 1640 CA GLN A 106 -13.306 4.332 4.375 1.00 0.00 C ATOM 1641 C GLN A 106 -12.320 5.499 4.340 1.00 0.00 C ATOM 1642 O GLN A 106 -12.571 6.525 3.738 1.00 0.00 O ATOM 1643 CB GLN A 106 -14.251 4.496 5.568 1.00 0.00 C ATOM 1644 CG GLN A 106 -13.448 4.439 6.870 1.00 0.00 C ATOM 1645 CD GLN A 106 -14.369 4.026 8.020 1.00 0.00 C ATOM 1646 OE1 GLN A 106 -14.648 4.813 8.902 1.00 0.00 O ATOM 1647 NE2 GLN A 106 -14.853 2.815 8.048 1.00 0.00 N ATOM 0 H GLN A 106 -11.525 3.186 4.607 1.00 0.00 H new ATOM 0 HA GLN A 106 -13.895 4.310 3.458 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -14.781 5.446 5.497 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -15.005 3.709 5.559 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -12.628 3.727 6.773 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -13.003 5.412 7.078 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -14.618 2.155 7.307 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -15.466 2.528 8.811 1.00 0.00 H new ATOM 1656 N ASN A 107 -11.197 5.344 4.985 1.00 0.00 N ATOM 1657 CA ASN A 107 -10.182 6.435 4.998 1.00 0.00 C ATOM 1658 C ASN A 107 -9.613 6.630 3.587 1.00 0.00 C ATOM 1659 O ASN A 107 -8.508 7.100 3.414 1.00 0.00 O ATOM 1660 CB ASN A 107 -9.052 6.065 5.963 1.00 0.00 C ATOM 1661 CG ASN A 107 -9.131 6.952 7.208 1.00 0.00 C ATOM 1662 OD1 ASN A 107 -8.043 7.216 7.878 1.00 0.00 O flip ATOM 1663 ND2 ASN A 107 -10.196 7.409 7.576 1.00 0.00 N flip ATOM 0 H ASN A 107 -10.938 4.506 5.505 1.00 0.00 H new ATOM 0 HA ASN A 107 -10.651 7.363 5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -9.131 5.015 6.246 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -8.086 6.192 5.474 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.047 7.203 7.053 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.238 7.998 8.408 1.00 0.00 H new ATOM 1670 N PHE A 108 -10.366 6.289 2.574 1.00 0.00 N ATOM 1671 CA PHE A 108 -9.867 6.471 1.182 1.00 0.00 C ATOM 1672 C PHE A 108 -11.003 6.980 0.296 1.00 0.00 C ATOM 1673 O PHE A 108 -12.165 6.761 0.570 1.00 0.00 O ATOM 1674 CB PHE A 108 -9.340 5.145 0.630 1.00 0.00 C ATOM 1675 CG PHE A 108 -10.477 4.355 0.025 1.00 0.00 C ATOM 1676 CD1 PHE A 108 -11.672 4.186 0.734 1.00 0.00 C ATOM 1677 CD2 PHE A 108 -10.336 3.795 -1.251 1.00 0.00 C ATOM 1678 CE1 PHE A 108 -12.725 3.457 0.167 1.00 0.00 C ATOM 1679 CE2 PHE A 108 -11.389 3.067 -1.816 1.00 0.00 C ATOM 1680 CZ PHE A 108 -12.583 2.898 -1.107 1.00 0.00 C ATOM 0 H PHE A 108 -11.303 5.893 2.652 1.00 0.00 H new ATOM 0 HA PHE A 108 -9.054 7.197 1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -8.574 5.332 -0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -8.869 4.570 1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -11.782 4.618 1.718 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -9.414 3.925 -1.799 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -13.647 3.327 0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -11.280 2.635 -2.800 1.00 0.00 H new ATOM 0 HZ PHE A 108 -13.395 2.336 -1.544 1.00 0.00 H new ATOM 1690 N ALA A 109 -10.671 7.664 -0.761 1.00 0.00 N ATOM 1691 CA ALA A 109 -11.723 8.199 -1.664 1.00 0.00 C ATOM 1692 C ALA A 109 -11.984 7.207 -2.800 1.00 0.00 C ATOM 1693 O ALA A 109 -13.088 7.096 -3.296 1.00 0.00 O ATOM 1694 CB ALA A 109 -11.255 9.533 -2.248 1.00 0.00 C ATOM 0 H ALA A 109 -9.713 7.876 -1.039 1.00 0.00 H new ATOM 0 HA ALA A 109 -12.644 8.348 -1.100 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -12.024 9.929 -2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -11.074 10.241 -1.439 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -10.334 9.381 -2.810 1.00 0.00 H new ATOM 1700 N LYS A 110 -10.980 6.484 -3.218 1.00 0.00 N ATOM 1701 CA LYS A 110 -11.181 5.506 -4.325 1.00 0.00 C ATOM 1702 C LYS A 110 -10.030 4.496 -4.342 1.00 0.00 C ATOM 1703 O LYS A 110 -8.924 4.792 -3.935 1.00 0.00 O ATOM 1704 CB LYS A 110 -11.215 6.253 -5.662 1.00 0.00 C ATOM 1705 CG LYS A 110 -12.613 6.142 -6.277 1.00 0.00 C ATOM 1706 CD LYS A 110 -12.611 6.748 -7.685 1.00 0.00 C ATOM 1707 CE LYS A 110 -13.166 8.175 -7.635 1.00 0.00 C ATOM 1708 NZ LYS A 110 -14.524 8.159 -7.022 1.00 0.00 N ATOM 0 H LYS A 110 -10.033 6.528 -2.842 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.122 4.979 -4.171 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -10.955 7.301 -5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -10.473 5.835 -6.343 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -12.919 5.097 -6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -13.338 6.660 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -11.598 6.756 -8.086 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -13.215 6.136 -8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -12.501 8.815 -7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -13.214 8.593 -8.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -15.114 8.892 -7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -14.961 7.227 -7.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -14.447 8.347 -6.002 1.00 0.00 H new ATOM 1722 N GLU A 111 -10.280 3.307 -4.823 1.00 0.00 N ATOM 1723 CA GLU A 111 -9.203 2.278 -4.883 1.00 0.00 C ATOM 1724 C GLU A 111 -8.736 2.142 -6.332 1.00 0.00 C ATOM 1725 O GLU A 111 -9.454 2.479 -7.252 1.00 0.00 O ATOM 1726 CB GLU A 111 -9.745 0.934 -4.389 1.00 0.00 C ATOM 1727 CG GLU A 111 -11.129 0.689 -4.994 1.00 0.00 C ATOM 1728 CD GLU A 111 -11.692 -0.630 -4.463 1.00 0.00 C ATOM 1729 OE1 GLU A 111 -11.078 -1.655 -4.709 1.00 0.00 O ATOM 1730 OE2 GLU A 111 -12.727 -0.593 -3.819 1.00 0.00 O ATOM 0 H GLU A 111 -11.187 3.004 -5.178 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.368 2.577 -4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.065 0.130 -4.671 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -9.807 0.932 -3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -11.799 1.511 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.062 0.656 -6.081 1.00 0.00 H new ATOM 1737 N PHE A 112 -7.539 1.668 -6.553 1.00 0.00 N ATOM 1738 CA PHE A 112 -7.053 1.543 -7.958 1.00 0.00 C ATOM 1739 C PHE A 112 -6.222 0.270 -8.137 1.00 0.00 C ATOM 1740 O PHE A 112 -5.691 -0.283 -7.195 1.00 0.00 O ATOM 1741 CB PHE A 112 -6.201 2.766 -8.297 1.00 0.00 C ATOM 1742 CG PHE A 112 -7.107 3.883 -8.752 1.00 0.00 C ATOM 1743 CD1 PHE A 112 -7.861 3.738 -9.922 1.00 0.00 C ATOM 1744 CD2 PHE A 112 -7.203 5.059 -7.999 1.00 0.00 C ATOM 1745 CE1 PHE A 112 -8.710 4.769 -10.340 1.00 0.00 C ATOM 1746 CE2 PHE A 112 -8.052 6.089 -8.416 1.00 0.00 C ATOM 1747 CZ PHE A 112 -8.805 5.945 -9.587 1.00 0.00 C ATOM 0 H PHE A 112 -6.884 1.365 -5.832 1.00 0.00 H new ATOM 0 HA PHE A 112 -7.912 1.485 -8.627 1.00 0.00 H new ATOM 0 HB2 PHE A 112 -5.627 3.078 -7.425 1.00 0.00 H new ATOM 0 HB3 PHE A 112 -5.484 2.520 -9.080 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -7.788 2.830 -10.502 1.00 0.00 H new ATOM 0 HD2 PHE A 112 -6.621 5.171 -7.096 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -9.292 4.657 -11.243 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -8.127 6.996 -7.834 1.00 0.00 H new ATOM 0 HZ PHE A 112 -9.459 6.741 -9.910 1.00 0.00 H new ATOM 1757 N VAL A 113 -6.106 -0.190 -9.356 1.00 0.00 N ATOM 1758 CA VAL A 113 -5.309 -1.418 -9.634 1.00 0.00 C ATOM 1759 C VAL A 113 -4.133 -1.044 -10.539 1.00 0.00 C ATOM 1760 O VAL A 113 -4.162 -0.034 -11.212 1.00 0.00 O ATOM 1761 CB VAL A 113 -6.188 -2.453 -10.339 1.00 0.00 C ATOM 1762 CG1 VAL A 113 -6.331 -2.081 -11.816 1.00 0.00 C ATOM 1763 CG2 VAL A 113 -5.543 -3.835 -10.223 1.00 0.00 C ATOM 0 H VAL A 113 -6.534 0.238 -10.177 1.00 0.00 H new ATOM 0 HA VAL A 113 -4.941 -1.841 -8.699 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.172 -2.471 -9.871 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.957 -2.819 -12.318 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -6.791 -1.097 -11.900 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.347 -2.063 -12.284 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.169 -4.572 -10.725 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.558 -3.817 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.441 -4.102 -9.171 1.00 0.00 H new ATOM 1773 N ILE A 114 -3.093 -1.834 -10.553 1.00 0.00 N ATOM 1774 CA ILE A 114 -1.922 -1.492 -11.412 1.00 0.00 C ATOM 1775 C ILE A 114 -1.389 -2.746 -12.107 1.00 0.00 C ATOM 1776 O ILE A 114 -1.539 -3.853 -11.630 1.00 0.00 O ATOM 1777 CB ILE A 114 -0.800 -0.893 -10.555 1.00 0.00 C ATOM 1778 CG1 ILE A 114 -1.378 -0.011 -9.438 1.00 0.00 C ATOM 1779 CG2 ILE A 114 0.121 -0.051 -11.436 1.00 0.00 C ATOM 1780 CD1 ILE A 114 -1.980 1.272 -10.024 1.00 0.00 C ATOM 0 H ILE A 114 -3.003 -2.694 -10.012 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.246 -0.768 -12.160 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.239 -1.710 -10.101 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -2.143 -0.562 -8.891 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.594 0.241 -8.724 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.918 0.375 -10.827 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.555 -0.679 -12.214 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -0.452 0.753 -11.897 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.385 1.885 -9.219 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.206 1.830 -10.550 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.778 1.014 -10.720 1.00 0.00 H new ATOM 1792 N SER A 115 -0.748 -2.565 -13.230 1.00 0.00 N ATOM 1793 CA SER A 115 -0.171 -3.721 -13.972 1.00 0.00 C ATOM 1794 C SER A 115 1.250 -3.356 -14.410 1.00 0.00 C ATOM 1795 O SER A 115 1.941 -4.138 -15.032 1.00 0.00 O ATOM 1796 CB SER A 115 -1.028 -4.020 -15.203 1.00 0.00 C ATOM 1797 OG SER A 115 -1.688 -2.831 -15.617 1.00 0.00 O ATOM 0 H SER A 115 -0.598 -1.656 -13.669 1.00 0.00 H new ATOM 0 HA SER A 115 -0.150 -4.604 -13.333 1.00 0.00 H new ATOM 0 HB2 SER A 115 -0.404 -4.403 -16.010 1.00 0.00 H new ATOM 0 HB3 SER A 115 -1.760 -4.794 -14.971 1.00 0.00 H new ATOM 0 HG SER A 115 -2.237 -3.019 -16.407 1.00 0.00 H new ATOM 1803 N ASP A 116 1.690 -2.169 -14.084 1.00 0.00 N ATOM 1804 CA ASP A 116 3.063 -1.740 -14.471 1.00 0.00 C ATOM 1805 C ASP A 116 3.543 -0.660 -13.497 1.00 0.00 C ATOM 1806 O ASP A 116 2.752 0.028 -12.883 1.00 0.00 O ATOM 1807 CB ASP A 116 3.042 -1.175 -15.892 1.00 0.00 C ATOM 1808 CG ASP A 116 3.748 -2.147 -16.839 1.00 0.00 C ATOM 1809 OD1 ASP A 116 3.406 -3.318 -16.819 1.00 0.00 O ATOM 1810 OD2 ASP A 116 4.620 -1.704 -17.570 1.00 0.00 O ATOM 0 H ASP A 116 1.153 -1.476 -13.563 1.00 0.00 H new ATOM 0 HA ASP A 116 3.739 -2.595 -14.435 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.014 -1.017 -16.217 1.00 0.00 H new ATOM 0 HB3 ASP A 116 3.536 -0.204 -15.916 1.00 0.00 H new ATOM 1815 N ARG A 117 4.830 -0.507 -13.344 1.00 0.00 N ATOM 1816 CA ARG A 117 5.349 0.527 -12.402 1.00 0.00 C ATOM 1817 C ARG A 117 5.179 1.920 -13.012 1.00 0.00 C ATOM 1818 O ARG A 117 5.102 2.908 -12.310 1.00 0.00 O ATOM 1819 CB ARG A 117 6.831 0.267 -12.122 1.00 0.00 C ATOM 1820 CG ARG A 117 7.606 0.234 -13.442 1.00 0.00 C ATOM 1821 CD ARG A 117 9.107 0.197 -13.150 1.00 0.00 C ATOM 1822 NE ARG A 117 9.477 -1.143 -12.616 1.00 0.00 N ATOM 1823 CZ ARG A 117 10.729 -1.506 -12.575 1.00 0.00 C ATOM 1824 NH1 ARG A 117 11.659 -0.696 -13.004 1.00 0.00 N ATOM 1825 NH2 ARG A 117 11.053 -2.680 -12.106 1.00 0.00 N ATOM 0 H ARG A 117 5.544 -1.051 -13.829 1.00 0.00 H new ATOM 0 HA ARG A 117 4.788 0.475 -11.469 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.231 1.046 -11.473 1.00 0.00 H new ATOM 0 HB3 ARG A 117 6.951 -0.679 -11.595 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.316 -0.640 -14.025 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.363 1.111 -14.041 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.670 0.406 -14.059 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.367 0.972 -12.429 1.00 0.00 H new ATOM 0 HE ARG A 117 8.751 -1.777 -12.282 1.00 0.00 H new ATOM 0 HH11 ARG A 117 11.407 0.221 -13.371 1.00 0.00 H new ATOM 0 HH12 ARG A 117 12.638 -0.981 -12.972 1.00 0.00 H new ATOM 0 HH21 ARG A 117 10.327 -3.314 -11.772 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.032 -2.964 -12.074 1.00 0.00 H new ATOM 1839 N LYS A 118 5.119 2.010 -14.313 1.00 0.00 N ATOM 1840 CA LYS A 118 4.954 3.343 -14.957 1.00 0.00 C ATOM 1841 C LYS A 118 3.556 3.877 -14.652 1.00 0.00 C ATOM 1842 O LYS A 118 3.268 5.041 -14.843 1.00 0.00 O ATOM 1843 CB LYS A 118 5.131 3.205 -16.471 1.00 0.00 C ATOM 1844 CG LYS A 118 6.509 2.614 -16.773 1.00 0.00 C ATOM 1845 CD LYS A 118 7.297 3.581 -17.659 1.00 0.00 C ATOM 1846 CE LYS A 118 6.648 3.651 -19.043 1.00 0.00 C ATOM 1847 NZ LYS A 118 6.660 5.060 -19.526 1.00 0.00 N ATOM 0 H LYS A 118 5.177 1.220 -14.956 1.00 0.00 H new ATOM 0 HA LYS A 118 5.703 4.034 -14.569 1.00 0.00 H new ATOM 0 HB2 LYS A 118 4.351 2.564 -16.882 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.029 4.179 -16.950 1.00 0.00 H new ATOM 0 HG2 LYS A 118 7.050 2.432 -15.844 1.00 0.00 H new ATOM 0 HG3 LYS A 118 6.402 1.651 -17.273 1.00 0.00 H new ATOM 0 HD2 LYS A 118 7.318 4.572 -17.205 1.00 0.00 H new ATOM 0 HD3 LYS A 118 8.331 3.249 -17.747 1.00 0.00 H new ATOM 0 HE2 LYS A 118 7.187 3.011 -19.742 1.00 0.00 H new ATOM 0 HE3 LYS A 118 5.624 3.280 -18.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 6.219 5.108 -20.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 6.128 5.659 -18.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 7.642 5.398 -19.586 1.00 0.00 H new ATOM 1861 N GLU A 119 2.684 3.031 -14.182 1.00 0.00 N ATOM 1862 CA GLU A 119 1.301 3.482 -13.865 1.00 0.00 C ATOM 1863 C GLU A 119 1.249 4.028 -12.433 1.00 0.00 C ATOM 1864 O GLU A 119 0.201 4.386 -11.935 1.00 0.00 O ATOM 1865 CB GLU A 119 0.345 2.299 -14.001 1.00 0.00 C ATOM 1866 CG GLU A 119 -0.102 2.167 -15.459 1.00 0.00 C ATOM 1867 CD GLU A 119 -1.167 3.222 -15.764 1.00 0.00 C ATOM 1868 OE1 GLU A 119 -2.323 2.971 -15.464 1.00 0.00 O ATOM 1869 OE2 GLU A 119 -0.808 4.261 -16.293 1.00 0.00 O ATOM 0 H GLU A 119 2.870 2.044 -14.003 1.00 0.00 H new ATOM 0 HA GLU A 119 1.007 4.272 -14.556 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.836 1.382 -13.676 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.522 2.442 -13.356 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.752 2.294 -16.125 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -0.502 1.169 -15.639 1.00 0.00 H new ATOM 1876 N LEU A 120 2.373 4.095 -11.770 1.00 0.00 N ATOM 1877 CA LEU A 120 2.392 4.618 -10.372 1.00 0.00 C ATOM 1878 C LEU A 120 3.028 6.014 -10.354 1.00 0.00 C ATOM 1879 O LEU A 120 3.656 6.411 -9.392 1.00 0.00 O ATOM 1880 CB LEU A 120 3.210 3.667 -9.491 1.00 0.00 C ATOM 1881 CG LEU A 120 2.272 2.665 -8.815 1.00 0.00 C ATOM 1882 CD1 LEU A 120 3.098 1.592 -8.104 1.00 0.00 C ATOM 1883 CD2 LEU A 120 1.395 3.393 -7.793 1.00 0.00 C ATOM 0 H LEU A 120 3.281 3.809 -12.137 1.00 0.00 H new ATOM 0 HA LEU A 120 1.373 4.684 -9.991 1.00 0.00 H new ATOM 0 HB2 LEU A 120 3.949 3.140 -10.095 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.759 4.233 -8.738 1.00 0.00 H new ATOM 0 HG LEU A 120 1.639 2.197 -9.569 1.00 0.00 H new ATOM 0 HD11 LEU A 120 2.430 0.878 -7.622 1.00 0.00 H new ATOM 0 HD12 LEU A 120 3.722 1.072 -8.831 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.732 2.060 -7.351 1.00 0.00 H new ATOM 0 HD21 LEU A 120 0.727 2.678 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.028 3.862 -7.040 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.805 4.157 -8.299 1.00 0.00 H new ATOM 1895 N GLU A 121 2.872 6.763 -11.412 1.00 0.00 N ATOM 1896 CA GLU A 121 3.470 8.131 -11.457 1.00 0.00 C ATOM 1897 C GLU A 121 2.593 9.109 -10.672 1.00 0.00 C ATOM 1898 O GLU A 121 1.384 9.084 -10.757 1.00 0.00 O ATOM 1899 CB GLU A 121 3.558 8.593 -12.912 1.00 0.00 C ATOM 1900 CG GLU A 121 3.553 7.375 -13.835 1.00 0.00 C ATOM 1901 CD GLU A 121 4.150 7.758 -15.190 1.00 0.00 C ATOM 1902 OE1 GLU A 121 3.806 8.817 -15.690 1.00 0.00 O ATOM 1903 OE2 GLU A 121 4.941 6.985 -15.706 1.00 0.00 O ATOM 0 H GLU A 121 2.356 6.488 -12.248 1.00 0.00 H new ATOM 0 HA GLU A 121 4.465 8.103 -11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 121 2.718 9.245 -13.149 1.00 0.00 H new ATOM 0 HB3 GLU A 121 4.467 9.175 -13.065 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.129 6.565 -13.388 1.00 0.00 H new ATOM 0 HG3 GLU A 121 2.535 7.008 -13.965 1.00 0.00 H new ATOM 1910 N GLU A 122 3.197 9.978 -9.909 1.00 0.00 N ATOM 1911 CA GLU A 122 2.397 10.958 -9.121 1.00 0.00 C ATOM 1912 C GLU A 122 1.316 11.572 -10.016 1.00 0.00 C ATOM 1913 O GLU A 122 0.146 11.562 -9.689 1.00 0.00 O ATOM 1914 CB GLU A 122 3.313 12.068 -8.599 1.00 0.00 C ATOM 1915 CG GLU A 122 4.707 11.499 -8.330 1.00 0.00 C ATOM 1916 CD GLU A 122 5.331 12.222 -7.135 1.00 0.00 C ATOM 1917 OE1 GLU A 122 5.956 13.247 -7.347 1.00 0.00 O ATOM 1918 OE2 GLU A 122 5.173 11.736 -6.026 1.00 0.00 O ATOM 0 H GLU A 122 4.208 10.052 -9.797 1.00 0.00 H new ATOM 0 HA GLU A 122 1.929 10.447 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 122 3.374 12.876 -9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 122 2.900 12.494 -7.684 1.00 0.00 H new ATOM 0 HG2 GLU A 122 4.642 10.430 -8.128 1.00 0.00 H new ATOM 0 HG3 GLU A 122 5.337 11.620 -9.211 1.00 0.00 H new ATOM 1925 N ASP A 123 1.701 12.113 -11.140 1.00 0.00 N ATOM 1926 CA ASP A 123 0.697 12.736 -12.052 1.00 0.00 C ATOM 1927 C ASP A 123 -0.317 11.683 -12.500 1.00 0.00 C ATOM 1928 O ASP A 123 -1.497 11.951 -12.614 1.00 0.00 O ATOM 1929 CB ASP A 123 1.411 13.309 -13.278 1.00 0.00 C ATOM 1930 CG ASP A 123 2.908 13.431 -12.987 1.00 0.00 C ATOM 1931 OD1 ASP A 123 3.459 12.501 -12.422 1.00 0.00 O ATOM 1932 OD2 ASP A 123 3.478 14.452 -13.335 1.00 0.00 O ATOM 0 H ASP A 123 2.666 12.151 -11.467 1.00 0.00 H new ATOM 0 HA ASP A 123 0.177 13.535 -11.524 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.249 12.663 -14.141 1.00 0.00 H new ATOM 0 HB3 ASP A 123 0.998 14.286 -13.529 1.00 0.00 H new ATOM 1937 N PHE A 124 0.131 10.485 -12.752 1.00 0.00 N ATOM 1938 CA PHE A 124 -0.809 9.416 -13.189 1.00 0.00 C ATOM 1939 C PHE A 124 -1.843 9.184 -12.098 1.00 0.00 C ATOM 1940 O PHE A 124 -3.032 9.124 -12.339 1.00 0.00 O ATOM 1941 CB PHE A 124 -0.042 8.118 -13.404 1.00 0.00 C ATOM 1942 CG PHE A 124 -1.022 6.973 -13.486 1.00 0.00 C ATOM 1943 CD1 PHE A 124 -1.423 6.319 -12.316 1.00 0.00 C ATOM 1944 CD2 PHE A 124 -1.538 6.572 -14.724 1.00 0.00 C ATOM 1945 CE1 PHE A 124 -2.337 5.264 -12.381 1.00 0.00 C ATOM 1946 CE2 PHE A 124 -2.456 5.516 -14.789 1.00 0.00 C ATOM 1947 CZ PHE A 124 -2.854 4.861 -13.616 1.00 0.00 C ATOM 0 H PHE A 124 1.107 10.200 -12.674 1.00 0.00 H new ATOM 0 HA PHE A 124 -1.294 9.722 -14.116 1.00 0.00 H new ATOM 0 HB2 PHE A 124 0.546 8.176 -14.320 1.00 0.00 H new ATOM 0 HB3 PHE A 124 0.659 7.955 -12.585 1.00 0.00 H new ATOM 0 HD1 PHE A 124 -1.026 6.630 -11.361 1.00 0.00 H new ATOM 0 HD2 PHE A 124 -1.229 7.076 -15.628 1.00 0.00 H new ATOM 0 HE1 PHE A 124 -2.644 4.760 -11.477 1.00 0.00 H new ATOM 0 HE2 PHE A 124 -2.857 5.207 -15.743 1.00 0.00 H new ATOM 0 HZ PHE A 124 -3.560 4.045 -13.666 1.00 0.00 H new ATOM 1957 N ILE A 125 -1.380 9.047 -10.896 1.00 0.00 N ATOM 1958 CA ILE A 125 -2.304 8.810 -9.752 1.00 0.00 C ATOM 1959 C ILE A 125 -3.298 9.970 -9.647 1.00 0.00 C ATOM 1960 O ILE A 125 -4.358 9.839 -9.069 1.00 0.00 O ATOM 1961 CB ILE A 125 -1.507 8.721 -8.448 1.00 0.00 C ATOM 1962 CG1 ILE A 125 -0.342 7.731 -8.602 1.00 0.00 C ATOM 1963 CG2 ILE A 125 -2.433 8.247 -7.327 1.00 0.00 C ATOM 1964 CD1 ILE A 125 -0.782 6.339 -8.149 1.00 0.00 C ATOM 0 H ILE A 125 -0.391 9.089 -10.649 1.00 0.00 H new ATOM 0 HA ILE A 125 -2.839 7.875 -9.918 1.00 0.00 H new ATOM 0 HB ILE A 125 -1.103 9.704 -8.208 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.015 7.699 -9.641 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.511 8.064 -8.010 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -1.872 8.181 -6.395 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -3.253 8.956 -7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.836 7.266 -7.578 1.00 0.00 H new ATOM 0 HD11 ILE A 125 0.048 5.641 -8.260 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -1.087 6.376 -7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -1.621 6.006 -8.760 1.00 0.00 H new ATOM 1976 N ARG A 126 -2.966 11.105 -10.198 1.00 0.00 N ATOM 1977 CA ARG A 126 -3.897 12.268 -10.124 1.00 0.00 C ATOM 1978 C ARG A 126 -4.961 12.152 -11.218 1.00 0.00 C ATOM 1979 O ARG A 126 -6.134 12.364 -10.982 1.00 0.00 O ATOM 1980 CB ARG A 126 -3.108 13.567 -10.316 1.00 0.00 C ATOM 1981 CG ARG A 126 -2.366 13.909 -9.022 1.00 0.00 C ATOM 1982 CD ARG A 126 -3.078 15.064 -8.315 1.00 0.00 C ATOM 1983 NE ARG A 126 -2.730 16.347 -8.987 1.00 0.00 N ATOM 1984 CZ ARG A 126 -3.438 17.419 -8.754 1.00 0.00 C ATOM 1985 NH1 ARG A 126 -4.451 17.366 -7.933 1.00 0.00 N ATOM 1986 NH2 ARG A 126 -3.133 18.543 -9.342 1.00 0.00 N ATOM 0 H ARG A 126 -2.092 11.278 -10.695 1.00 0.00 H new ATOM 0 HA ARG A 126 -4.384 12.276 -9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -2.399 13.456 -11.136 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -3.783 14.379 -10.586 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -2.330 13.036 -8.370 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.335 14.185 -9.244 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -4.157 14.909 -8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -2.784 15.099 -7.266 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.939 16.388 -9.629 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -4.690 16.487 -7.473 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -5.004 18.203 -7.751 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -2.341 18.584 -9.984 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.686 19.380 -9.160 1.00 0.00 H new ATOM 2000 N SER A 127 -4.560 11.823 -12.416 1.00 0.00 N ATOM 2001 CA SER A 127 -5.547 11.700 -13.528 1.00 0.00 C ATOM 2002 C SER A 127 -6.608 10.657 -13.168 1.00 0.00 C ATOM 2003 O SER A 127 -7.747 10.751 -13.580 1.00 0.00 O ATOM 2004 CB SER A 127 -4.823 11.268 -14.804 1.00 0.00 C ATOM 2005 OG SER A 127 -5.781 10.871 -15.776 1.00 0.00 O ATOM 0 H SER A 127 -3.591 11.634 -12.673 1.00 0.00 H new ATOM 0 HA SER A 127 -6.030 12.664 -13.688 1.00 0.00 H new ATOM 0 HB2 SER A 127 -4.217 12.089 -15.188 1.00 0.00 H new ATOM 0 HB3 SER A 127 -4.143 10.444 -14.589 1.00 0.00 H new ATOM 0 HG SER A 127 -5.320 10.595 -16.596 1.00 0.00 H new ATOM 2011 N GLU A 128 -6.246 9.663 -12.405 1.00 0.00 N ATOM 2012 CA GLU A 128 -7.241 8.621 -12.023 1.00 0.00 C ATOM 2013 C GLU A 128 -8.021 9.084 -10.791 1.00 0.00 C ATOM 2014 O GLU A 128 -9.211 8.870 -10.683 1.00 0.00 O ATOM 2015 CB GLU A 128 -6.521 7.305 -11.718 1.00 0.00 C ATOM 2016 CG GLU A 128 -5.614 7.486 -10.500 1.00 0.00 C ATOM 2017 CD GLU A 128 -4.800 6.211 -10.277 1.00 0.00 C ATOM 2018 OE1 GLU A 128 -4.841 5.348 -11.139 1.00 0.00 O ATOM 2019 OE2 GLU A 128 -4.152 6.118 -9.248 1.00 0.00 O ATOM 0 H GLU A 128 -5.307 9.527 -12.030 1.00 0.00 H new ATOM 0 HA GLU A 128 -7.934 8.464 -12.849 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -7.249 6.516 -11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -5.931 6.993 -12.580 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -4.947 8.334 -10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -6.213 7.707 -9.617 1.00 0.00 H new ATOM 2026 N LEU A 129 -7.362 9.718 -9.859 1.00 0.00 N ATOM 2027 CA LEU A 129 -8.073 10.190 -8.639 1.00 0.00 C ATOM 2028 C LEU A 129 -9.037 11.312 -9.019 1.00 0.00 C ATOM 2029 O LEU A 129 -10.048 11.516 -8.377 1.00 0.00 O ATOM 2030 CB LEU A 129 -7.054 10.714 -7.623 1.00 0.00 C ATOM 2031 CG LEU A 129 -6.784 9.638 -6.569 1.00 0.00 C ATOM 2032 CD1 LEU A 129 -5.642 10.089 -5.658 1.00 0.00 C ATOM 2033 CD2 LEU A 129 -8.045 9.420 -5.730 1.00 0.00 C ATOM 0 H LEU A 129 -6.364 9.929 -9.890 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.630 9.363 -8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -6.127 10.984 -8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -7.432 11.618 -7.146 1.00 0.00 H new ATOM 0 HG LEU A 129 -6.508 8.707 -7.064 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.451 9.322 -4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -4.743 10.247 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -5.918 11.020 -5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -7.854 8.654 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -8.319 10.352 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.861 9.099 -6.377 1.00 0.00 H new ATOM 2045 N LYS A 130 -8.740 12.039 -10.058 1.00 0.00 N ATOM 2046 CA LYS A 130 -9.650 13.141 -10.474 1.00 0.00 C ATOM 2047 C LYS A 130 -11.081 12.608 -10.546 1.00 0.00 C ATOM 2048 O LYS A 130 -12.009 13.218 -10.053 1.00 0.00 O ATOM 2049 CB LYS A 130 -9.232 13.657 -11.851 1.00 0.00 C ATOM 2050 CG LYS A 130 -8.373 14.912 -11.687 1.00 0.00 C ATOM 2051 CD LYS A 130 -7.468 15.070 -12.910 1.00 0.00 C ATOM 2052 CE LYS A 130 -7.326 16.554 -13.252 1.00 0.00 C ATOM 2053 NZ LYS A 130 -7.311 17.355 -11.996 1.00 0.00 N ATOM 0 H LYS A 130 -7.908 11.919 -10.636 1.00 0.00 H new ATOM 0 HA LYS A 130 -9.594 13.954 -9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -8.673 12.888 -12.385 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -10.114 13.883 -12.450 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -9.009 15.790 -11.576 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -7.770 14.838 -10.782 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.488 14.637 -12.709 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -7.887 14.529 -13.758 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -6.407 16.722 -13.814 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -8.152 16.872 -13.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -6.739 18.212 -12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.283 17.625 -11.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -6.900 16.788 -11.227 1.00 0.00 H new ATOM 2067 N LYS A 131 -11.263 11.468 -11.157 1.00 0.00 N ATOM 2068 CA LYS A 131 -12.630 10.888 -11.263 1.00 0.00 C ATOM 2069 C LYS A 131 -12.531 9.456 -11.789 1.00 0.00 C ATOM 2070 O LYS A 131 -13.052 8.529 -11.201 1.00 0.00 O ATOM 2071 CB LYS A 131 -13.457 11.724 -12.235 1.00 0.00 C ATOM 2072 CG LYS A 131 -14.930 11.684 -11.822 1.00 0.00 C ATOM 2073 CD LYS A 131 -15.444 10.244 -11.896 1.00 0.00 C ATOM 2074 CE LYS A 131 -16.971 10.243 -11.817 1.00 0.00 C ATOM 2075 NZ LYS A 131 -17.486 8.888 -12.169 1.00 0.00 N ATOM 0 H LYS A 131 -10.522 10.914 -11.587 1.00 0.00 H new ATOM 0 HA LYS A 131 -13.105 10.887 -10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -13.098 12.753 -12.241 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -13.343 11.340 -13.249 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -15.045 12.070 -10.809 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -15.520 12.326 -12.477 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -15.117 9.777 -12.825 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -15.027 9.655 -11.079 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -17.294 10.517 -10.813 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -17.382 10.988 -12.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -18.525 8.887 -12.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -17.189 8.644 -13.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -17.104 8.187 -11.502 1.00 0.00 H new ATOM 2089 N ALA A 132 -11.866 9.272 -12.895 1.00 0.00 N ATOM 2090 CA ALA A 132 -11.731 7.904 -13.467 1.00 0.00 C ATOM 2091 C ALA A 132 -13.091 7.203 -13.442 1.00 0.00 C ATOM 2092 O ALA A 132 -13.463 6.584 -12.465 1.00 0.00 O ATOM 2093 CB ALA A 132 -10.727 7.101 -12.640 1.00 0.00 C ATOM 0 H ALA A 132 -11.409 10.012 -13.428 1.00 0.00 H new ATOM 0 HA ALA A 132 -11.378 7.975 -14.496 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -10.629 6.100 -13.059 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -9.758 7.600 -12.660 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -11.078 7.030 -11.610 1.00 0.00 H new ATOM 2099 N GLY A 133 -13.836 7.296 -14.510 1.00 0.00 N ATOM 2100 CA GLY A 133 -15.171 6.634 -14.547 1.00 0.00 C ATOM 2101 C GLY A 133 -15.076 5.337 -15.353 1.00 0.00 C ATOM 2102 O GLY A 133 -15.603 4.314 -14.964 1.00 0.00 O ATOM 0 H GLY A 133 -13.578 7.801 -15.358 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -15.511 6.421 -13.534 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -15.907 7.301 -14.996 1.00 0.00 H new ATOM 2106 N GLY A 134 -14.410 5.372 -16.474 1.00 0.00 N ATOM 2107 CA GLY A 134 -14.283 4.141 -17.306 1.00 0.00 C ATOM 2108 C GLY A 134 -15.259 4.214 -18.481 1.00 0.00 C ATOM 2109 O GLY A 134 -14.963 4.783 -19.512 1.00 0.00 O ATOM 0 H GLY A 134 -13.948 6.200 -16.851 1.00 0.00 H new ATOM 0 HA2 GLY A 134 -13.262 4.042 -17.674 1.00 0.00 H new ATOM 0 HA3 GLY A 134 -14.491 3.258 -16.702 1.00 0.00 H new ATOM 2113 N ALA A 135 -16.423 3.642 -18.333 1.00 0.00 N ATOM 2114 CA ALA A 135 -17.417 3.678 -19.443 1.00 0.00 C ATOM 2115 C ALA A 135 -16.976 2.725 -20.555 1.00 0.00 C ATOM 2116 O ALA A 135 -17.647 2.571 -21.557 1.00 0.00 O ATOM 2117 CB ALA A 135 -17.510 5.101 -19.998 1.00 0.00 C ATOM 0 H ALA A 135 -16.728 3.152 -17.492 1.00 0.00 H new ATOM 0 HA ALA A 135 -18.392 3.370 -19.067 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -18.237 5.128 -20.810 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -17.825 5.781 -19.206 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -16.534 5.409 -20.374 1.00 0.00 H new ATOM 2123 N ASN A 136 -15.851 2.084 -20.390 1.00 0.00 N ATOM 2124 CA ASN A 136 -15.370 1.142 -21.438 1.00 0.00 C ATOM 2125 C ASN A 136 -15.795 -0.283 -21.079 1.00 0.00 C ATOM 2126 O ASN A 136 -15.037 -1.222 -21.220 1.00 0.00 O ATOM 2127 CB ASN A 136 -13.843 1.212 -21.525 1.00 0.00 C ATOM 2128 CG ASN A 136 -13.245 1.066 -20.124 1.00 0.00 C ATOM 2129 OD1 ASN A 136 -13.672 0.114 -19.341 1.00 0.00 O flip ATOM 2130 ND2 ASN A 136 -12.379 1.828 -19.739 1.00 0.00 N flip ATOM 0 H ASN A 136 -15.245 2.173 -19.574 1.00 0.00 H new ATOM 0 HA ASN A 136 -15.802 1.418 -22.400 1.00 0.00 H new ATOM 0 HB2 ASN A 136 -13.469 0.422 -22.176 1.00 0.00 H new ATOM 0 HB3 ASN A 136 -13.536 2.160 -21.966 1.00 0.00 H new ATOM 0 HD21 ASN A 136 -12.045 2.572 -20.352 1.00 0.00 H new ATOM 0 HD22 ASN A 136 -11.986 1.723 -18.804 1.00 0.00 H new ATOM 2137 N TYR A 137 -17.003 -0.452 -20.614 1.00 0.00 N ATOM 2138 CA TYR A 137 -17.476 -1.817 -20.247 1.00 0.00 C ATOM 2139 C TYR A 137 -18.960 -1.953 -20.593 1.00 0.00 C ATOM 2140 O TYR A 137 -19.688 -2.696 -19.965 1.00 0.00 O ATOM 2141 CB TYR A 137 -17.280 -2.037 -18.745 1.00 0.00 C ATOM 2142 CG TYR A 137 -17.779 -3.411 -18.368 1.00 0.00 C ATOM 2143 CD1 TYR A 137 -17.129 -4.551 -18.858 1.00 0.00 C ATOM 2144 CD2 TYR A 137 -18.892 -3.547 -17.529 1.00 0.00 C ATOM 2145 CE1 TYR A 137 -17.592 -5.825 -18.509 1.00 0.00 C ATOM 2146 CE2 TYR A 137 -19.354 -4.821 -17.179 1.00 0.00 C ATOM 2147 CZ TYR A 137 -18.704 -5.961 -17.670 1.00 0.00 C ATOM 2148 OH TYR A 137 -19.160 -7.216 -17.325 1.00 0.00 O ATOM 0 H TYR A 137 -17.682 0.296 -20.473 1.00 0.00 H new ATOM 0 HA TYR A 137 -16.904 -2.561 -20.801 1.00 0.00 H new ATOM 0 HB2 TYR A 137 -16.226 -1.938 -18.487 1.00 0.00 H new ATOM 0 HB3 TYR A 137 -17.819 -1.275 -18.182 1.00 0.00 H new ATOM 0 HD1 TYR A 137 -16.271 -4.447 -19.505 1.00 0.00 H new ATOM 0 HD2 TYR A 137 -19.394 -2.668 -17.152 1.00 0.00 H new ATOM 0 HE1 TYR A 137 -17.091 -6.704 -18.887 1.00 0.00 H new ATOM 0 HE2 TYR A 137 -20.211 -4.925 -16.531 1.00 0.00 H new ATOM 0 HH TYR A 137 -19.939 -7.131 -16.736 1.00 0.00 H new ATOM 2158 N ASP A 138 -19.414 -1.242 -21.589 1.00 0.00 N ATOM 2159 CA ASP A 138 -20.850 -1.331 -21.975 1.00 0.00 C ATOM 2160 C ASP A 138 -21.035 -0.770 -23.386 1.00 0.00 C ATOM 2161 O ASP A 138 -21.745 -1.329 -24.199 1.00 0.00 O ATOM 2162 CB ASP A 138 -21.694 -0.522 -20.988 1.00 0.00 C ATOM 2163 CG ASP A 138 -21.619 0.962 -21.351 1.00 0.00 C ATOM 2164 OD1 ASP A 138 -20.528 1.508 -21.312 1.00 0.00 O ATOM 2165 OD2 ASP A 138 -22.654 1.529 -21.660 1.00 0.00 O ATOM 0 H ASP A 138 -18.852 -0.603 -22.152 1.00 0.00 H new ATOM 0 HA ASP A 138 -21.168 -2.373 -21.955 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -22.729 -0.862 -21.014 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -21.333 -0.678 -19.971 1.00 0.00 H new ATOM 2170 N ALA A 139 -20.404 0.332 -23.683 1.00 0.00 N ATOM 2171 CA ALA A 139 -20.544 0.928 -25.042 1.00 0.00 C ATOM 2172 C ALA A 139 -19.312 0.585 -25.881 1.00 0.00 C ATOM 2173 O ALA A 139 -18.897 1.345 -26.732 1.00 0.00 O ATOM 2174 CB ALA A 139 -20.672 2.448 -24.921 1.00 0.00 C ATOM 0 H ALA A 139 -19.797 0.846 -23.044 1.00 0.00 H new ATOM 0 HA ALA A 139 -21.434 0.525 -25.525 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -20.774 2.885 -25.914 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -21.551 2.693 -24.325 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -19.782 2.851 -24.438 1.00 0.00 H new ATOM 2180 N GLN A 140 -18.723 -0.556 -25.646 1.00 0.00 N ATOM 2181 CA GLN A 140 -17.517 -0.947 -26.430 1.00 0.00 C ATOM 2182 C GLN A 140 -17.804 -0.782 -27.924 1.00 0.00 C ATOM 2183 O GLN A 140 -17.044 -0.173 -28.649 1.00 0.00 O ATOM 2184 CB GLN A 140 -17.168 -2.407 -26.136 1.00 0.00 C ATOM 2185 CG GLN A 140 -15.650 -2.588 -26.181 1.00 0.00 C ATOM 2186 CD GLN A 140 -15.307 -4.070 -26.010 1.00 0.00 C ATOM 2187 OE1 GLN A 140 -16.261 -4.959 -26.072 1.00 0.00 O flip ATOM 2188 NE2 GLN A 140 -14.160 -4.422 -25.820 1.00 0.00 N flip ATOM 0 H GLN A 140 -19.024 -1.234 -24.946 1.00 0.00 H new ATOM 0 HA GLN A 140 -16.679 -0.310 -26.148 1.00 0.00 H new ATOM 0 HB2 GLN A 140 -17.550 -2.693 -25.156 1.00 0.00 H new ATOM 0 HB3 GLN A 140 -17.645 -3.060 -26.867 1.00 0.00 H new ATOM 0 HG2 GLN A 140 -15.257 -2.220 -27.129 1.00 0.00 H new ATOM 0 HG3 GLN A 140 -15.180 -2.002 -25.392 1.00 0.00 H new ATOM 0 HE21 GLN A 140 -13.415 -3.727 -25.772 1.00 0.00 H new ATOM 0 HE22 GLN A 140 -13.942 -5.412 -25.709 1.00 0.00 H new ATOM 2197 N SER A 141 -18.898 -1.320 -28.390 1.00 0.00 N ATOM 2198 CA SER A 141 -19.232 -1.194 -29.837 1.00 0.00 C ATOM 2199 C SER A 141 -19.164 0.278 -30.250 1.00 0.00 C ATOM 2200 O SER A 141 -19.383 1.167 -29.451 1.00 0.00 O ATOM 2201 CB SER A 141 -20.645 -1.726 -30.081 1.00 0.00 C ATOM 2202 OG SER A 141 -21.148 -1.184 -31.295 1.00 0.00 O ATOM 0 H SER A 141 -19.574 -1.841 -27.832 1.00 0.00 H new ATOM 0 HA SER A 141 -18.519 -1.770 -30.426 1.00 0.00 H new ATOM 0 HB2 SER A 141 -20.632 -2.815 -30.133 1.00 0.00 H new ATOM 0 HB3 SER A 141 -21.297 -1.454 -29.251 1.00 0.00 H new ATOM 0 HG SER A 141 -22.053 -1.524 -31.455 1.00 0.00 H new ATOM 2208 N GLU A 142 -18.861 0.541 -31.491 1.00 0.00 N ATOM 2209 CA GLU A 142 -18.778 1.955 -31.954 1.00 0.00 C ATOM 2210 C GLU A 142 -20.184 2.474 -32.260 1.00 0.00 C ATOM 2211 O GLU A 142 -21.020 1.674 -32.644 1.00 0.00 O ATOM 2212 CB GLU A 142 -17.920 2.029 -33.219 1.00 0.00 C ATOM 2213 CG GLU A 142 -16.967 3.222 -33.122 1.00 0.00 C ATOM 2214 CD GLU A 142 -16.232 3.397 -34.451 1.00 0.00 C ATOM 2215 OE1 GLU A 142 -16.645 2.781 -35.421 1.00 0.00 O ATOM 2216 OE2 GLU A 142 -15.269 4.145 -34.479 1.00 0.00 O ATOM 2217 OXT GLU A 142 -20.401 3.665 -32.105 1.00 0.00 O ATOM 0 H GLU A 142 -18.667 -0.162 -32.204 1.00 0.00 H new ATOM 0 HA GLU A 142 -18.326 2.567 -31.173 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -17.353 1.106 -33.341 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -18.557 2.130 -34.098 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -17.524 4.127 -32.880 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -16.250 3.064 -32.316 1.00 0.00 H new TER 2224 GLU A 142