USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1072 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 56 HIS : no HD1:sc= 0.787 K(o=2.1,f=-6.2!) USER MOD Set 1.2: A 139 SER OG : rot -122:sc= 1.27 USER MOD Set 2.1: A 70 GLN : amide:sc= -1.2 K(o=-1.2,f=0.036) USER MOD Set 2.2: A 120 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 96 THR OG1 : rot -107:sc= 0.511 USER MOD Set 3.2: A 101 GLN : amide:sc= 0.364 K(o=0.87,f=0.13) USER MOD Set 4.1: A 65 GLN : amide:sc= 0.746 K(o=1.6,f=-2.3) USER MOD Set 4.2: A 130 SER OG : rot -80:sc= 0.832 USER MOD Set 5.1: A 13 SER OG : rot -180:sc= 0.541 USER MOD Set 5.2: A 55 LYS NZ :NH3+ 175:sc= 2.32 (180deg=2.24) USER MOD Set 6.1: A 20 SER OG : rot -67:sc= 2.05 USER MOD Set 6.2: A 42 THR OG1 : rot 180:sc= 0.971 USER MOD Set 6.3: A 44 MET CE :methyl -130:sc= -0.95 (180deg=-1.79) USER MOD Set 6.4: A 47 GLN : amide:sc= -3.32! C(o=-1.3!,f=-1.8!) USER MOD Set 7.1: A 40 THR OG1 : rot 113:sc= -1.48! USER MOD Set 7.2: A 127 SER OG : rot 180:sc= 0.574 USER MOD Set 8.1: A 29 ASN : amide:sc= -2.76! C(o=-2.8!,f=-2!) USER MOD Set 8.2: A 37 THR OG1 : rot -170:sc= 0.0013 USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= 1.04 (180deg=0.52) USER MOD Single : A 7 CYS SG : rot -16:sc= -0.248 USER MOD Single : A 9 SER OG : rot -12:sc= -0.223 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -150:sc= 0.479 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= -1.14! (180deg=-3.1!) USER MOD Single : A 25 HIS : no HE2:sc= -0.306 K(o=-0.31,f=-3!) USER MOD Single : A 34 ASN : amide:sc= -1.77! K(o=-1.8!,f=-0.41) USER MOD Single : A 41 THR OG1 : rot 101:sc= -1.4! USER MOD Single : A 52 CYS SG : rot 116:sc= 0.876 USER MOD Single : A 54 HIS : no HD1:sc= -0.127 K(o=-0.13,f=-0.63) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -61:sc= 1.29 USER MOD Single : A 73 LYS NZ :NH3+ -175:sc= 0.876 (180deg=0.845) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.2) USER MOD Single : A 77 SER OG : rot 93:sc= 1.21 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -140:sc=-0.00325 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0.139 K(o=0.14,f=-2) USER MOD Single : A 91 LYS NZ :NH3+ -162:sc= 1.15 (180deg=0.483) USER MOD Single : A 95 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.061) USER MOD Single : A 99 GLN : amide:sc= -0.0557 K(o=-0.056,f=-3!) USER MOD Single : A 102 ASN : amide:sc= -1.1 K(o=-1.1,f=-2.9!) USER MOD Single : A 108 HIS : no HD1:sc= -0.244 K(o=-0.24,f=-1.8) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 154:sc= 1.2 USER MOD Single : A 113 TYR OH : rot 39:sc= 0.878 USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= -0.0848 X(o=-0.085,f=0) USER MOD Single : A 132 SER OG : rot 94:sc= -2.54! USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N ARG A 2 2.075 -13.368 5.107 1.00 0.00 N ATOM 19 CA ARG A 2 0.826 -13.041 4.425 1.00 0.00 C ATOM 20 C ARG A 2 0.665 -11.531 4.305 1.00 0.00 C ATOM 21 O ARG A 2 -0.447 -11.004 4.234 1.00 0.00 O ATOM 22 CB ARG A 2 -0.373 -13.656 5.155 1.00 0.00 C ATOM 23 CG ARG A 2 -0.648 -13.063 6.525 1.00 0.00 C ATOM 24 CD ARG A 2 -1.985 -13.541 7.064 1.00 0.00 C ATOM 25 NE ARG A 2 -3.071 -13.276 6.118 1.00 0.00 N ATOM 26 CZ ARG A 2 -4.261 -12.791 6.460 1.00 0.00 C ATOM 27 NH1 ARG A 2 -4.537 -12.525 7.731 1.00 0.00 N ATOM 28 NH2 ARG A 2 -5.179 -12.573 5.527 1.00 0.00 N ATOM 0 HA ARG A 2 0.864 -13.466 3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.261 -13.534 4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -0.205 -14.728 5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.148 -13.345 7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.645 -11.975 6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -1.934 -14.610 7.271 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -2.196 -13.043 8.010 1.00 0.00 H new ATOM 0 HE ARG A 2 -2.904 -13.477 5.132 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -3.834 -12.692 8.451 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.452 -12.153 7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.971 -12.777 4.550 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.092 -12.201 5.787 1.00 0.00 H new ATOM 42 N LYS A 3 1.795 -10.853 4.252 1.00 0.00 N ATOM 43 CA LYS A 3 1.833 -9.410 4.146 1.00 0.00 C ATOM 44 C LYS A 3 3.117 -8.999 3.438 1.00 0.00 C ATOM 45 O LYS A 3 4.167 -8.848 4.062 1.00 0.00 O ATOM 46 CB LYS A 3 1.761 -8.765 5.533 1.00 0.00 C ATOM 47 CG LYS A 3 1.676 -7.250 5.491 1.00 0.00 C ATOM 48 CD LYS A 3 1.925 -6.637 6.858 1.00 0.00 C ATOM 49 CE LYS A 3 1.865 -5.118 6.801 1.00 0.00 C ATOM 50 NZ LYS A 3 2.696 -4.579 5.692 1.00 0.00 N ATOM 0 H LYS A 3 2.716 -11.291 4.281 1.00 0.00 H new ATOM 0 HA LYS A 3 0.972 -9.068 3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 3 0.892 -9.155 6.062 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.641 -9.056 6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.406 -6.864 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.692 -6.950 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.182 -7.006 7.565 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.901 -6.951 7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.831 -4.799 6.670 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.209 -4.704 7.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.812 -3.552 5.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.630 -5.037 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.228 -4.770 4.783 1.00 0.00 H new ATOM 64 N ILE A 4 3.034 -8.854 2.131 1.00 0.00 N ATOM 65 CA ILE A 4 4.207 -8.594 1.315 1.00 0.00 C ATOM 66 C ILE A 4 3.863 -7.615 0.198 1.00 0.00 C ATOM 67 O ILE A 4 2.765 -7.663 -0.357 1.00 0.00 O ATOM 68 CB ILE A 4 4.764 -9.921 0.734 1.00 0.00 C ATOM 69 CG1 ILE A 4 5.880 -9.664 -0.282 1.00 0.00 C ATOM 70 CG2 ILE A 4 3.642 -10.742 0.112 1.00 0.00 C ATOM 71 CD1 ILE A 4 6.467 -10.929 -0.874 1.00 0.00 C ATOM 0 H ILE A 4 2.161 -8.912 1.607 1.00 0.00 H new ATOM 0 HA ILE A 4 4.979 -8.145 1.939 1.00 0.00 H new ATOM 0 HB ILE A 4 5.196 -10.491 1.556 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.489 -9.043 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 4 6.675 -9.096 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 4 4.050 -11.669 -0.291 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.896 -10.974 0.872 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.176 -10.172 -0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.251 -10.668 -1.585 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.888 -11.542 -0.077 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.684 -11.488 -1.387 1.00 0.00 H new ATOM 83 N ASP A 5 4.787 -6.713 -0.107 1.00 0.00 N ATOM 84 CA ASP A 5 4.575 -5.723 -1.154 1.00 0.00 C ATOM 85 C ASP A 5 4.789 -6.371 -2.516 1.00 0.00 C ATOM 86 O ASP A 5 5.881 -6.329 -3.081 1.00 0.00 O ATOM 87 CB ASP A 5 5.524 -4.528 -0.974 1.00 0.00 C ATOM 88 CG ASP A 5 5.290 -3.749 0.313 1.00 0.00 C ATOM 89 OD1 ASP A 5 5.432 -4.333 1.411 1.00 0.00 O ATOM 90 OD2 ASP A 5 4.987 -2.540 0.233 1.00 0.00 O ATOM 0 H ASP A 5 5.693 -6.647 0.357 1.00 0.00 H new ATOM 0 HA ASP A 5 3.552 -5.352 -1.088 1.00 0.00 H new ATOM 0 HB2 ASP A 5 6.553 -4.887 -0.989 1.00 0.00 H new ATOM 0 HB3 ASP A 5 5.410 -3.853 -1.823 1.00 0.00 H new ATOM 95 N LEU A 6 3.734 -6.979 -3.042 1.00 0.00 N ATOM 96 CA LEU A 6 3.832 -7.805 -4.241 1.00 0.00 C ATOM 97 C LEU A 6 4.059 -6.990 -5.508 1.00 0.00 C ATOM 98 O LEU A 6 4.307 -7.556 -6.575 1.00 0.00 O ATOM 99 CB LEU A 6 2.580 -8.671 -4.380 1.00 0.00 C ATOM 100 CG LEU A 6 2.415 -9.722 -3.282 1.00 0.00 C ATOM 101 CD1 LEU A 6 1.044 -10.380 -3.356 1.00 0.00 C ATOM 102 CD2 LEU A 6 3.513 -10.767 -3.391 1.00 0.00 C ATOM 0 H LEU A 6 2.793 -6.915 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 6 4.709 -8.441 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.703 -8.023 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.606 -9.174 -5.347 1.00 0.00 H new ATOM 0 HG LEU A 6 2.496 -9.224 -2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.954 -11.123 -2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.270 -9.623 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.925 -10.866 -4.324 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.387 -11.511 -2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.456 -11.254 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.485 -10.286 -3.283 1.00 0.00 H new ATOM 114 N CYS A 7 3.992 -5.678 -5.399 1.00 0.00 N ATOM 115 CA CYS A 7 4.148 -4.817 -6.561 1.00 0.00 C ATOM 116 C CYS A 7 5.588 -4.351 -6.737 1.00 0.00 C ATOM 117 O CYS A 7 5.893 -3.695 -7.713 1.00 0.00 O ATOM 118 CB CYS A 7 3.216 -3.614 -6.466 1.00 0.00 C ATOM 119 SG CYS A 7 1.458 -4.035 -6.469 1.00 0.00 S ATOM 0 H CYS A 7 3.831 -5.183 -4.522 1.00 0.00 H new ATOM 0 HA CYS A 7 3.882 -5.408 -7.437 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.444 -3.063 -5.554 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.419 -2.945 -7.302 1.00 0.00 H new ATOM 0 HG CYS A 7 1.304 -5.252 -6.899 1.00 0.00 H new ATOM 125 N LEU A 8 6.471 -4.698 -5.803 1.00 0.00 N ATOM 126 CA LEU A 8 7.843 -4.204 -5.848 1.00 0.00 C ATOM 127 C LEU A 8 8.620 -4.813 -7.003 1.00 0.00 C ATOM 128 O LEU A 8 8.386 -5.960 -7.390 1.00 0.00 O ATOM 129 CB LEU A 8 8.570 -4.507 -4.537 1.00 0.00 C ATOM 130 CG LEU A 8 7.979 -3.837 -3.305 1.00 0.00 C ATOM 131 CD1 LEU A 8 8.896 -4.012 -2.107 1.00 0.00 C ATOM 132 CD2 LEU A 8 7.721 -2.368 -3.582 1.00 0.00 C ATOM 0 H LEU A 8 6.264 -5.312 -5.015 1.00 0.00 H new ATOM 0 HA LEU A 8 7.790 -3.125 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 8 8.571 -5.586 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.611 -4.198 -4.636 1.00 0.00 H new ATOM 0 HG LEU A 8 7.028 -4.315 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.455 -3.526 -1.237 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.027 -5.074 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.865 -3.562 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.298 -1.899 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.659 -1.876 -3.840 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.020 -2.272 -4.411 1.00 0.00 H new ATOM 144 N SER A 9 9.563 -4.048 -7.536 1.00 0.00 N ATOM 145 CA SER A 9 10.452 -4.549 -8.570 1.00 0.00 C ATOM 146 C SER A 9 11.398 -5.576 -7.964 1.00 0.00 C ATOM 147 O SER A 9 11.955 -6.422 -8.663 1.00 0.00 O ATOM 148 CB SER A 9 11.243 -3.402 -9.201 1.00 0.00 C ATOM 149 OG SER A 9 12.015 -2.713 -8.230 1.00 0.00 O ATOM 0 H SER A 9 9.730 -3.078 -7.268 1.00 0.00 H new ATOM 0 HA SER A 9 9.860 -5.021 -9.354 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.899 -3.794 -9.979 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.557 -2.706 -9.684 1.00 0.00 H new ATOM 0 HG SER A 9 11.734 -2.990 -7.333 1.00 0.00 H new ATOM 155 N SER A 10 11.549 -5.508 -6.644 1.00 0.00 N ATOM 156 CA SER A 10 12.370 -6.461 -5.918 1.00 0.00 C ATOM 157 C SER A 10 11.657 -7.808 -5.892 1.00 0.00 C ATOM 158 O SER A 10 12.272 -8.860 -5.713 1.00 0.00 O ATOM 159 CB SER A 10 12.634 -5.956 -4.495 1.00 0.00 C ATOM 160 OG SER A 10 13.597 -6.756 -3.826 1.00 0.00 O ATOM 0 H SER A 10 11.110 -4.798 -6.057 1.00 0.00 H new ATOM 0 HA SER A 10 13.333 -6.575 -6.416 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.982 -4.924 -4.533 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.702 -5.958 -3.929 1.00 0.00 H new ATOM 0 HG SER A 10 13.743 -6.406 -2.922 1.00 0.00 H new ATOM 166 N GLU A 11 10.348 -7.756 -6.106 1.00 0.00 N ATOM 167 CA GLU A 11 9.525 -8.949 -6.184 1.00 0.00 C ATOM 168 C GLU A 11 9.384 -9.394 -7.639 1.00 0.00 C ATOM 169 O GLU A 11 8.565 -10.257 -7.971 1.00 0.00 O ATOM 170 CB GLU A 11 8.155 -8.678 -5.559 1.00 0.00 C ATOM 171 CG GLU A 11 8.220 -8.412 -4.064 1.00 0.00 C ATOM 172 CD GLU A 11 9.106 -9.405 -3.344 1.00 0.00 C ATOM 173 OE1 GLU A 11 8.874 -10.624 -3.479 1.00 0.00 O ATOM 174 OE2 GLU A 11 10.065 -8.973 -2.674 1.00 0.00 O ATOM 0 H GLU A 11 9.831 -6.885 -6.230 1.00 0.00 H new ATOM 0 HA GLU A 11 10.004 -9.754 -5.627 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.700 -7.820 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.504 -9.533 -5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.594 -7.403 -3.892 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.215 -8.455 -3.645 1.00 0.00 H new ATOM 181 N GLY A 12 10.190 -8.780 -8.502 1.00 0.00 N ATOM 182 CA GLY A 12 10.237 -9.165 -9.897 1.00 0.00 C ATOM 183 C GLY A 12 9.094 -8.595 -10.713 1.00 0.00 C ATOM 184 O GLY A 12 8.838 -9.053 -11.821 1.00 0.00 O ATOM 0 H GLY A 12 10.817 -8.015 -8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 12 11.182 -8.834 -10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 12 10.218 -10.253 -9.968 1.00 0.00 H new ATOM 188 N SER A 13 8.410 -7.595 -10.176 1.00 0.00 N ATOM 189 CA SER A 13 7.268 -7.016 -10.859 1.00 0.00 C ATOM 190 C SER A 13 7.731 -5.944 -11.838 1.00 0.00 C ATOM 191 O SER A 13 8.670 -5.196 -11.554 1.00 0.00 O ATOM 192 CB SER A 13 6.284 -6.435 -9.840 1.00 0.00 C ATOM 193 OG SER A 13 5.924 -7.408 -8.865 1.00 0.00 O ATOM 0 H SER A 13 8.626 -7.171 -9.274 1.00 0.00 H new ATOM 0 HA SER A 13 6.757 -7.797 -11.422 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.732 -5.571 -9.349 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.390 -6.082 -10.353 1.00 0.00 H new ATOM 0 HG SER A 13 5.296 -7.013 -8.225 1.00 0.00 H new ATOM 199 N GLU A 14 7.080 -5.883 -12.990 1.00 0.00 N ATOM 200 CA GLU A 14 7.492 -4.980 -14.055 1.00 0.00 C ATOM 201 C GLU A 14 6.296 -4.186 -14.557 1.00 0.00 C ATOM 202 O GLU A 14 5.159 -4.643 -14.455 1.00 0.00 O ATOM 203 CB GLU A 14 8.107 -5.783 -15.205 1.00 0.00 C ATOM 204 CG GLU A 14 9.191 -6.751 -14.753 1.00 0.00 C ATOM 205 CD GLU A 14 9.686 -7.639 -15.874 1.00 0.00 C ATOM 206 OE1 GLU A 14 8.862 -8.353 -16.484 1.00 0.00 O ATOM 207 OE2 GLU A 14 10.905 -7.645 -16.136 1.00 0.00 O ATOM 0 H GLU A 14 6.262 -6.450 -13.212 1.00 0.00 H new ATOM 0 HA GLU A 14 8.237 -4.286 -13.665 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.319 -6.341 -15.711 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.528 -5.093 -15.936 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.029 -6.186 -14.345 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.803 -7.373 -13.946 1.00 0.00 H new ATOM 214 N VAL A 15 6.543 -3.004 -15.098 1.00 0.00 N ATOM 215 CA VAL A 15 5.466 -2.175 -15.617 1.00 0.00 C ATOM 216 C VAL A 15 5.486 -2.170 -17.142 1.00 0.00 C ATOM 217 O VAL A 15 6.548 -2.230 -17.760 1.00 0.00 O ATOM 218 CB VAL A 15 5.541 -0.726 -15.086 1.00 0.00 C ATOM 219 CG1 VAL A 15 5.329 -0.697 -13.580 1.00 0.00 C ATOM 220 CG2 VAL A 15 6.873 -0.089 -15.450 1.00 0.00 C ATOM 0 H VAL A 15 7.474 -2.598 -15.189 1.00 0.00 H new ATOM 0 HA VAL A 15 4.529 -2.609 -15.267 1.00 0.00 H new ATOM 0 HB VAL A 15 4.746 -0.148 -15.557 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.385 0.332 -13.224 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.349 -1.110 -13.343 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.101 -1.292 -13.092 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.905 0.931 -15.067 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.685 -0.668 -15.010 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.984 -0.073 -16.534 1.00 0.00 H new ATOM 230 N ILE A 16 4.309 -2.115 -17.739 1.00 0.00 N ATOM 231 CA ILE A 16 4.178 -2.141 -19.183 1.00 0.00 C ATOM 232 C ILE A 16 3.241 -1.015 -19.644 1.00 0.00 C ATOM 233 O ILE A 16 2.418 -0.524 -18.860 1.00 0.00 O ATOM 234 CB ILE A 16 3.672 -3.530 -19.664 1.00 0.00 C ATOM 235 CG1 ILE A 16 3.686 -3.627 -21.193 1.00 0.00 C ATOM 236 CG2 ILE A 16 2.282 -3.820 -19.115 1.00 0.00 C ATOM 237 CD1 ILE A 16 3.292 -4.991 -21.722 1.00 0.00 C ATOM 0 H ILE A 16 3.422 -2.051 -17.239 1.00 0.00 H new ATOM 0 HA ILE A 16 5.158 -1.976 -19.631 1.00 0.00 H new ATOM 0 HB ILE A 16 4.355 -4.286 -19.277 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.007 -2.879 -21.602 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.685 -3.382 -21.554 1.00 0.00 H new ATOM 0 HG21 ILE A 16 1.949 -4.797 -19.465 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.313 -3.816 -18.025 1.00 0.00 H new ATOM 0 HG23 ILE A 16 1.587 -3.055 -19.461 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.325 -4.982 -22.811 1.00 0.00 H new ATOM 0 HD12 ILE A 16 3.985 -5.742 -21.344 1.00 0.00 H new ATOM 0 HD13 ILE A 16 2.281 -5.231 -21.392 1.00 0.00 H new ATOM 249 N LEU A 17 3.399 -0.605 -20.904 1.00 0.00 N ATOM 250 CA LEU A 17 2.677 0.531 -21.485 1.00 0.00 C ATOM 251 C LEU A 17 3.238 1.845 -20.951 1.00 0.00 C ATOM 252 O LEU A 17 4.191 2.383 -21.517 1.00 0.00 O ATOM 253 CB LEU A 17 1.154 0.464 -21.248 1.00 0.00 C ATOM 254 CG LEU A 17 0.364 -0.432 -22.209 1.00 0.00 C ATOM 255 CD1 LEU A 17 0.672 -1.900 -21.976 1.00 0.00 C ATOM 256 CD2 LEU A 17 -1.128 -0.172 -22.063 1.00 0.00 C ATOM 0 H LEU A 17 4.039 -1.057 -21.558 1.00 0.00 H new ATOM 0 HA LEU A 17 2.829 0.479 -22.563 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.980 0.115 -20.230 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.751 1.475 -21.311 1.00 0.00 H new ATOM 0 HG LEU A 17 0.669 -0.186 -23.226 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.096 -2.508 -22.673 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.736 -2.078 -22.133 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.406 -2.170 -20.954 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.678 -0.814 -22.751 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.436 -0.387 -21.040 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.340 0.872 -22.294 1.00 0.00 H new ATOM 268 N ALA A 18 2.664 2.323 -19.846 1.00 0.00 N ATOM 269 CA ALA A 18 3.078 3.573 -19.206 1.00 0.00 C ATOM 270 C ALA A 18 3.065 4.747 -20.185 1.00 0.00 C ATOM 271 O ALA A 18 4.047 5.003 -20.883 1.00 0.00 O ATOM 272 CB ALA A 18 4.451 3.423 -18.556 1.00 0.00 C ATOM 0 H ALA A 18 1.896 1.852 -19.368 1.00 0.00 H new ATOM 0 HA ALA A 18 2.350 3.793 -18.426 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.737 4.365 -18.087 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.412 2.639 -17.800 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.186 3.158 -19.316 1.00 0.00 H new ATOM 278 N THR A 19 1.943 5.463 -20.223 1.00 0.00 N ATOM 279 CA THR A 19 1.777 6.614 -21.109 1.00 0.00 C ATOM 280 C THR A 19 2.847 7.688 -20.847 1.00 0.00 C ATOM 281 O THR A 19 3.123 8.529 -21.702 1.00 0.00 O ATOM 282 CB THR A 19 0.374 7.230 -20.929 1.00 0.00 C ATOM 283 OG1 THR A 19 -0.600 6.182 -20.833 1.00 0.00 O ATOM 284 CG2 THR A 19 0.019 8.143 -22.095 1.00 0.00 C ATOM 0 H THR A 19 1.127 5.263 -19.644 1.00 0.00 H new ATOM 0 HA THR A 19 1.892 6.258 -22.133 1.00 0.00 H new ATOM 0 HB THR A 19 0.377 7.825 -20.015 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.457 6.498 -21.188 1.00 0.00 H new ATOM 0 HG21 THR A 19 -0.975 8.562 -21.939 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.747 8.951 -22.159 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.030 7.570 -23.022 1.00 0.00 H new ATOM 292 N SER A 20 3.455 7.648 -19.667 1.00 0.00 N ATOM 293 CA SER A 20 4.495 8.599 -19.315 1.00 0.00 C ATOM 294 C SER A 20 5.768 7.868 -18.909 1.00 0.00 C ATOM 295 O SER A 20 5.732 6.951 -18.088 1.00 0.00 O ATOM 296 CB SER A 20 4.018 9.503 -18.182 1.00 0.00 C ATOM 297 OG SER A 20 2.830 10.184 -18.553 1.00 0.00 O ATOM 0 H SER A 20 3.243 6.965 -18.939 1.00 0.00 H new ATOM 0 HA SER A 20 4.714 9.216 -20.187 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.838 8.908 -17.286 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.796 10.226 -17.934 1.00 0.00 H new ATOM 0 HG SER A 20 3.027 10.815 -19.276 1.00 0.00 H new ATOM 303 N SER A 21 6.883 8.265 -19.501 1.00 0.00 N ATOM 304 CA SER A 21 8.167 7.666 -19.188 1.00 0.00 C ATOM 305 C SER A 21 9.296 8.656 -19.450 1.00 0.00 C ATOM 306 O SER A 21 9.329 9.322 -20.489 1.00 0.00 O ATOM 307 CB SER A 21 8.364 6.391 -20.015 1.00 0.00 C ATOM 308 OG SER A 21 9.594 5.756 -19.714 1.00 0.00 O ATOM 0 H SER A 21 6.923 9.003 -20.204 1.00 0.00 H new ATOM 0 HA SER A 21 8.185 7.403 -18.130 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.542 5.702 -19.822 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.332 6.637 -21.076 1.00 0.00 H new ATOM 0 HG SER A 21 9.686 4.946 -20.258 1.00 0.00 H new ATOM 314 N ASP A 22 10.205 8.761 -18.493 1.00 0.00 N ATOM 315 CA ASP A 22 11.372 9.622 -18.618 1.00 0.00 C ATOM 316 C ASP A 22 12.626 8.748 -18.594 1.00 0.00 C ATOM 317 O ASP A 22 12.585 7.629 -18.079 1.00 0.00 O ATOM 318 CB ASP A 22 11.395 10.638 -17.468 1.00 0.00 C ATOM 319 CG ASP A 22 12.488 11.683 -17.599 1.00 0.00 C ATOM 320 OD1 ASP A 22 13.626 11.423 -17.160 1.00 0.00 O ATOM 321 OD2 ASP A 22 12.210 12.779 -18.117 1.00 0.00 O ATOM 0 H ASP A 22 10.155 8.253 -17.610 1.00 0.00 H new ATOM 0 HA ASP A 22 11.335 10.175 -19.557 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.429 11.140 -17.419 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.525 10.105 -16.526 1.00 0.00 H new ATOM 326 N GLU A 23 13.726 9.223 -19.158 1.00 0.00 N ATOM 327 CA GLU A 23 14.951 8.429 -19.186 1.00 0.00 C ATOM 328 C GLU A 23 15.677 8.517 -17.844 1.00 0.00 C ATOM 329 O GLU A 23 16.221 7.530 -17.353 1.00 0.00 O ATOM 330 CB GLU A 23 15.869 8.892 -20.322 1.00 0.00 C ATOM 331 CG GLU A 23 17.123 8.044 -20.484 1.00 0.00 C ATOM 332 CD GLU A 23 16.818 6.590 -20.794 1.00 0.00 C ATOM 333 OE1 GLU A 23 16.439 6.288 -21.944 1.00 0.00 O ATOM 334 OE2 GLU A 23 16.976 5.734 -19.897 1.00 0.00 O ATOM 0 H GLU A 23 13.799 10.141 -19.597 1.00 0.00 H new ATOM 0 HA GLU A 23 14.680 7.389 -19.365 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.309 8.878 -21.257 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.162 9.926 -20.141 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.736 8.460 -21.284 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.713 8.099 -19.569 1.00 0.00 H new ATOM 341 N LYS A 24 15.662 9.700 -17.248 1.00 0.00 N ATOM 342 CA LYS A 24 16.296 9.909 -15.953 1.00 0.00 C ATOM 343 C LYS A 24 15.350 9.449 -14.856 1.00 0.00 C ATOM 344 O LYS A 24 15.775 9.018 -13.783 1.00 0.00 O ATOM 345 CB LYS A 24 16.665 11.384 -15.735 1.00 0.00 C ATOM 346 CG LYS A 24 17.623 11.959 -16.773 1.00 0.00 C ATOM 347 CD LYS A 24 16.915 12.356 -18.070 1.00 0.00 C ATOM 348 CE LYS A 24 16.192 13.696 -17.962 1.00 0.00 C ATOM 349 NZ LYS A 24 15.067 13.671 -16.990 1.00 0.00 N ATOM 0 H LYS A 24 15.218 10.530 -17.640 1.00 0.00 H new ATOM 0 HA LYS A 24 17.218 9.329 -15.925 1.00 0.00 H new ATOM 0 HB2 LYS A 24 15.751 11.977 -15.735 1.00 0.00 H new ATOM 0 HB3 LYS A 24 17.114 11.491 -14.747 1.00 0.00 H new ATOM 0 HG2 LYS A 24 18.125 12.832 -16.355 1.00 0.00 H new ATOM 0 HG3 LYS A 24 18.396 11.223 -16.996 1.00 0.00 H new ATOM 0 HD2 LYS A 24 17.646 12.407 -18.877 1.00 0.00 H new ATOM 0 HD3 LYS A 24 16.197 11.581 -18.339 1.00 0.00 H new ATOM 0 HE2 LYS A 24 16.905 14.465 -17.665 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.811 13.977 -18.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.373 14.403 -17.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.609 12.737 -17.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.431 13.855 -16.033 1.00 0.00 H new ATOM 363 N HIS A 25 14.058 9.557 -15.140 1.00 0.00 N ATOM 364 CA HIS A 25 13.021 9.056 -14.247 1.00 0.00 C ATOM 365 C HIS A 25 12.322 7.856 -14.870 1.00 0.00 C ATOM 366 O HIS A 25 11.269 7.994 -15.495 1.00 0.00 O ATOM 367 CB HIS A 25 11.995 10.149 -13.921 1.00 0.00 C ATOM 368 CG HIS A 25 12.471 11.135 -12.906 1.00 0.00 C ATOM 369 ND1 HIS A 25 11.731 11.493 -11.800 1.00 0.00 N ATOM 370 CD2 HIS A 25 13.625 11.838 -12.829 1.00 0.00 C ATOM 371 CE1 HIS A 25 12.414 12.370 -11.087 1.00 0.00 C ATOM 372 NE2 HIS A 25 13.566 12.595 -11.690 1.00 0.00 N ATOM 0 H HIS A 25 13.701 9.992 -15.991 1.00 0.00 H new ATOM 0 HA HIS A 25 13.499 8.748 -13.317 1.00 0.00 H new ATOM 0 HB2 HIS A 25 11.739 10.680 -14.838 1.00 0.00 H new ATOM 0 HB3 HIS A 25 11.080 9.680 -13.558 1.00 0.00 H new ATOM 0 HD1 HIS A 25 10.803 11.137 -11.569 1.00 0.00 H new ATOM 0 HD2 HIS A 25 14.441 11.807 -13.535 1.00 0.00 H new ATOM 0 HE1 HIS A 25 12.085 12.826 -10.165 1.00 0.00 H new ATOM 380 N PRO A 26 12.908 6.661 -14.718 1.00 0.00 N ATOM 381 CA PRO A 26 12.393 5.453 -15.349 1.00 0.00 C ATOM 382 C PRO A 26 11.215 4.847 -14.589 1.00 0.00 C ATOM 383 O PRO A 26 11.137 4.928 -13.358 1.00 0.00 O ATOM 384 CB PRO A 26 13.596 4.514 -15.319 1.00 0.00 C ATOM 385 CG PRO A 26 14.344 4.907 -14.092 1.00 0.00 C ATOM 386 CD PRO A 26 14.120 6.389 -13.917 1.00 0.00 C ATOM 0 HA PRO A 26 12.003 5.645 -16.349 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.284 3.470 -15.277 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.211 4.627 -16.212 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.985 4.354 -13.224 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.406 4.684 -14.195 1.00 0.00 H new ATOM 0 HD2 PRO A 26 13.973 6.650 -12.869 1.00 0.00 H new ATOM 0 HD3 PRO A 26 14.973 6.967 -14.273 1.00 0.00 H new ATOM 394 N PRO A 27 10.285 4.215 -15.319 1.00 0.00 N ATOM 395 CA PRO A 27 9.112 3.555 -14.737 1.00 0.00 C ATOM 396 C PRO A 27 9.475 2.306 -13.934 1.00 0.00 C ATOM 397 O PRO A 27 8.606 1.576 -13.479 1.00 0.00 O ATOM 398 CB PRO A 27 8.253 3.179 -15.954 1.00 0.00 C ATOM 399 CG PRO A 27 8.825 3.948 -17.094 1.00 0.00 C ATOM 400 CD PRO A 27 10.284 4.111 -16.785 1.00 0.00 C ATOM 0 HA PRO A 27 8.602 4.208 -14.029 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.291 2.107 -16.145 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.207 3.437 -15.791 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.681 3.417 -18.035 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.336 4.917 -17.197 1.00 0.00 H new ATOM 0 HD2 PRO A 27 10.871 3.261 -17.133 1.00 0.00 H new ATOM 0 HD3 PRO A 27 10.702 5.001 -17.256 1.00 0.00 H new ATOM 408 N GLU A 28 10.758 2.052 -13.770 1.00 0.00 N ATOM 409 CA GLU A 28 11.200 0.917 -12.977 1.00 0.00 C ATOM 410 C GLU A 28 11.222 1.276 -11.489 1.00 0.00 C ATOM 411 O GLU A 28 11.071 0.412 -10.625 1.00 0.00 O ATOM 412 CB GLU A 28 12.576 0.446 -13.447 1.00 0.00 C ATOM 413 CG GLU A 28 13.116 -0.740 -12.669 1.00 0.00 C ATOM 414 CD GLU A 28 14.271 -1.413 -13.374 1.00 0.00 C ATOM 415 OE1 GLU A 28 15.280 -0.730 -13.653 1.00 0.00 O ATOM 416 OE2 GLU A 28 14.171 -2.628 -13.652 1.00 0.00 O ATOM 0 H GLU A 28 11.511 2.611 -14.172 1.00 0.00 H new ATOM 0 HA GLU A 28 10.493 0.098 -13.115 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.518 0.180 -14.502 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.281 1.274 -13.365 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.440 -0.407 -11.683 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.316 -1.464 -12.514 1.00 0.00 H new ATOM 423 N ASN A 29 11.375 2.558 -11.190 1.00 0.00 N ATOM 424 CA ASN A 29 11.460 2.999 -9.800 1.00 0.00 C ATOM 425 C ASN A 29 10.083 3.216 -9.183 1.00 0.00 C ATOM 426 O ASN A 29 9.951 3.252 -7.961 1.00 0.00 O ATOM 427 CB ASN A 29 12.312 4.266 -9.679 1.00 0.00 C ATOM 428 CG ASN A 29 13.795 3.948 -9.594 1.00 0.00 C ATOM 429 OD1 ASN A 29 14.184 2.897 -9.087 1.00 0.00 O ATOM 430 ND2 ASN A 29 14.631 4.853 -10.079 1.00 0.00 N ATOM 0 H ASN A 29 11.442 3.306 -11.880 1.00 0.00 H new ATOM 0 HA ASN A 29 11.945 2.200 -9.240 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.128 4.910 -10.539 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.009 4.823 -8.793 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.637 4.691 -10.040 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.269 5.713 -10.492 1.00 0.00 H new ATOM 437 N ILE A 30 9.055 3.339 -10.021 1.00 0.00 N ATOM 438 CA ILE A 30 7.684 3.482 -9.526 1.00 0.00 C ATOM 439 C ILE A 30 7.176 2.152 -8.970 1.00 0.00 C ATOM 440 O ILE A 30 6.393 2.122 -8.022 1.00 0.00 O ATOM 441 CB ILE A 30 6.718 3.989 -10.630 1.00 0.00 C ATOM 442 CG1 ILE A 30 5.267 4.010 -10.130 1.00 0.00 C ATOM 443 CG2 ILE A 30 6.824 3.141 -11.880 1.00 0.00 C ATOM 444 CD1 ILE A 30 4.241 4.183 -11.235 1.00 0.00 C ATOM 0 H ILE A 30 9.142 3.343 -11.037 1.00 0.00 H new ATOM 0 HA ILE A 30 7.706 4.226 -8.730 1.00 0.00 H new ATOM 0 HB ILE A 30 7.013 5.009 -10.877 1.00 0.00 H new ATOM 0 HG12 ILE A 30 5.062 3.080 -9.599 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.152 4.820 -9.410 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.136 3.520 -12.636 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.844 3.184 -12.263 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.569 2.108 -11.642 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.240 4.188 -10.804 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.419 5.126 -11.752 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.327 3.359 -11.943 1.00 0.00 H new ATOM 456 N ILE A 31 7.649 1.055 -9.556 1.00 0.00 N ATOM 457 CA ILE A 31 7.231 -0.281 -9.142 1.00 0.00 C ATOM 458 C ILE A 31 7.658 -0.544 -7.705 1.00 0.00 C ATOM 459 O ILE A 31 6.916 -1.114 -6.910 1.00 0.00 O ATOM 460 CB ILE A 31 7.851 -1.384 -10.033 1.00 0.00 C ATOM 461 CG1 ILE A 31 8.205 -0.858 -11.422 1.00 0.00 C ATOM 462 CG2 ILE A 31 6.895 -2.551 -10.167 1.00 0.00 C ATOM 463 CD1 ILE A 31 8.876 -1.894 -12.297 1.00 0.00 C ATOM 0 H ILE A 31 8.324 1.066 -10.321 1.00 0.00 H new ATOM 0 HA ILE A 31 6.146 -0.314 -9.237 1.00 0.00 H new ATOM 0 HB ILE A 31 8.770 -1.713 -9.548 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.297 -0.509 -11.914 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.864 0.004 -11.320 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.344 -3.319 -10.796 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.687 -2.966 -9.181 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.965 -2.209 -10.620 1.00 0.00 H new ATOM 0 HD11 ILE A 31 9.102 -1.457 -13.270 1.00 0.00 H new ATOM 0 HD12 ILE A 31 9.801 -2.225 -11.825 1.00 0.00 H new ATOM 0 HD13 ILE A 31 8.210 -2.747 -12.428 1.00 0.00 H new ATOM 475 N ASP A 32 8.863 -0.104 -7.380 1.00 0.00 N ATOM 476 CA ASP A 32 9.457 -0.384 -6.084 1.00 0.00 C ATOM 477 C ASP A 32 9.205 0.757 -5.106 1.00 0.00 C ATOM 478 O ASP A 32 9.273 0.575 -3.893 1.00 0.00 O ATOM 479 CB ASP A 32 10.957 -0.605 -6.250 1.00 0.00 C ATOM 480 CG ASP A 32 11.499 -1.663 -5.317 1.00 0.00 C ATOM 481 OD1 ASP A 32 11.307 -2.865 -5.610 1.00 0.00 O ATOM 482 OD2 ASP A 32 12.143 -1.302 -4.310 1.00 0.00 O ATOM 0 H ASP A 32 9.451 0.452 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 32 8.995 -1.284 -5.678 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.165 -0.894 -7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.480 0.334 -6.070 1.00 0.00 H new ATOM 487 N GLY A 33 8.908 1.933 -5.646 1.00 0.00 N ATOM 488 CA GLY A 33 8.683 3.096 -4.810 1.00 0.00 C ATOM 489 C GLY A 33 9.979 3.687 -4.296 1.00 0.00 C ATOM 490 O GLY A 33 10.131 3.927 -3.098 1.00 0.00 O ATOM 0 H GLY A 33 8.819 2.102 -6.648 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.141 3.851 -5.379 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.052 2.819 -3.966 1.00 0.00 H new ATOM 494 N ASN A 34 10.916 3.927 -5.203 1.00 0.00 N ATOM 495 CA ASN A 34 12.217 4.477 -4.830 1.00 0.00 C ATOM 496 C ASN A 34 12.169 5.997 -4.780 1.00 0.00 C ATOM 497 O ASN A 34 11.896 6.646 -5.786 1.00 0.00 O ATOM 498 CB ASN A 34 13.307 4.024 -5.808 1.00 0.00 C ATOM 499 CG ASN A 34 13.977 2.731 -5.383 1.00 0.00 C ATOM 500 OD1 ASN A 34 14.975 2.745 -4.662 1.00 0.00 O ATOM 501 ND2 ASN A 34 13.444 1.607 -5.831 1.00 0.00 N ATOM 0 H ASN A 34 10.802 3.751 -6.201 1.00 0.00 H new ATOM 0 HA ASN A 34 12.461 4.100 -3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.869 3.893 -6.798 1.00 0.00 H new ATOM 0 HB3 ASN A 34 14.060 4.807 -5.894 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.860 0.710 -5.581 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.616 1.637 -6.427 1.00 0.00 H new ATOM 508 N PRO A 35 12.454 6.585 -3.605 1.00 0.00 N ATOM 509 CA PRO A 35 12.433 8.042 -3.408 1.00 0.00 C ATOM 510 C PRO A 35 13.410 8.779 -4.324 1.00 0.00 C ATOM 511 O PRO A 35 13.270 9.979 -4.559 1.00 0.00 O ATOM 512 CB PRO A 35 12.843 8.221 -1.941 1.00 0.00 C ATOM 513 CG PRO A 35 13.490 6.938 -1.553 1.00 0.00 C ATOM 514 CD PRO A 35 12.815 5.874 -2.369 1.00 0.00 C ATOM 0 HA PRO A 35 11.454 8.459 -3.645 1.00 0.00 H new ATOM 0 HB2 PRO A 35 13.530 9.059 -1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 35 11.977 8.430 -1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.561 6.964 -1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.371 6.747 -0.487 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.481 5.034 -2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 35 11.937 5.473 -1.863 1.00 0.00 H new ATOM 522 N GLU A 36 14.400 8.049 -4.835 1.00 0.00 N ATOM 523 CA GLU A 36 15.376 8.611 -5.760 1.00 0.00 C ATOM 524 C GLU A 36 14.697 9.055 -7.053 1.00 0.00 C ATOM 525 O GLU A 36 15.108 10.031 -7.683 1.00 0.00 O ATOM 526 CB GLU A 36 16.469 7.583 -6.063 1.00 0.00 C ATOM 527 CG GLU A 36 17.529 8.079 -7.036 1.00 0.00 C ATOM 528 CD GLU A 36 18.663 7.093 -7.212 1.00 0.00 C ATOM 529 OE1 GLU A 36 19.535 7.030 -6.322 1.00 0.00 O ATOM 530 OE2 GLU A 36 18.687 6.373 -8.234 1.00 0.00 O ATOM 0 H GLU A 36 14.546 7.062 -4.621 1.00 0.00 H new ATOM 0 HA GLU A 36 15.832 9.484 -5.293 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.953 7.296 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.006 6.685 -6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.067 8.272 -8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.929 9.028 -6.679 1.00 0.00 H new ATOM 537 N THR A 37 13.650 8.345 -7.441 1.00 0.00 N ATOM 538 CA THR A 37 12.942 8.654 -8.666 1.00 0.00 C ATOM 539 C THR A 37 11.439 8.475 -8.494 1.00 0.00 C ATOM 540 O THR A 37 10.956 7.364 -8.286 1.00 0.00 O ATOM 541 CB THR A 37 13.423 7.750 -9.814 1.00 0.00 C ATOM 542 OG1 THR A 37 14.820 7.956 -10.054 1.00 0.00 O ATOM 543 CG2 THR A 37 12.639 8.018 -11.084 1.00 0.00 C ATOM 0 H THR A 37 13.274 7.551 -6.923 1.00 0.00 H new ATOM 0 HA THR A 37 13.152 9.696 -8.907 1.00 0.00 H new ATOM 0 HB THR A 37 13.257 6.714 -9.519 1.00 0.00 H new ATOM 0 HG1 THR A 37 15.081 7.499 -10.881 1.00 0.00 H new ATOM 0 HG21 THR A 37 13.000 7.365 -11.879 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.581 7.823 -10.907 1.00 0.00 H new ATOM 0 HG23 THR A 37 12.772 9.058 -11.381 1.00 0.00 H new ATOM 551 N PHE A 38 10.707 9.568 -8.603 1.00 0.00 N ATOM 552 CA PHE A 38 9.259 9.514 -8.553 1.00 0.00 C ATOM 553 C PHE A 38 8.698 9.518 -9.966 1.00 0.00 C ATOM 554 O PHE A 38 9.246 10.175 -10.860 1.00 0.00 O ATOM 555 CB PHE A 38 8.695 10.690 -7.740 1.00 0.00 C ATOM 556 CG PHE A 38 9.066 12.052 -8.268 1.00 0.00 C ATOM 557 CD1 PHE A 38 10.235 12.676 -7.857 1.00 0.00 C ATOM 558 CD2 PHE A 38 8.242 12.711 -9.169 1.00 0.00 C ATOM 559 CE1 PHE A 38 10.574 13.926 -8.336 1.00 0.00 C ATOM 560 CE2 PHE A 38 8.579 13.962 -9.650 1.00 0.00 C ATOM 561 CZ PHE A 38 9.746 14.568 -9.234 1.00 0.00 C ATOM 0 H PHE A 38 11.092 10.504 -8.727 1.00 0.00 H new ATOM 0 HA PHE A 38 8.958 8.592 -8.055 1.00 0.00 H new ATOM 0 HB2 PHE A 38 7.608 10.609 -7.714 1.00 0.00 H new ATOM 0 HB3 PHE A 38 9.046 10.605 -6.712 1.00 0.00 H new ATOM 0 HD1 PHE A 38 10.887 12.179 -7.155 1.00 0.00 H new ATOM 0 HD2 PHE A 38 7.327 12.241 -9.498 1.00 0.00 H new ATOM 0 HE1 PHE A 38 11.487 14.401 -8.008 1.00 0.00 H new ATOM 0 HE2 PHE A 38 7.929 14.465 -10.351 1.00 0.00 H new ATOM 0 HZ PHE A 38 10.012 15.545 -9.611 1.00 0.00 H new ATOM 571 N TRP A 39 7.632 8.764 -10.170 1.00 0.00 N ATOM 572 CA TRP A 39 6.960 8.724 -11.455 1.00 0.00 C ATOM 573 C TRP A 39 5.732 9.618 -11.405 1.00 0.00 C ATOM 574 O TRP A 39 5.024 9.658 -10.395 1.00 0.00 O ATOM 575 CB TRP A 39 6.568 7.284 -11.812 1.00 0.00 C ATOM 576 CG TRP A 39 5.929 7.140 -13.164 1.00 0.00 C ATOM 577 CD1 TRP A 39 6.559 6.888 -14.352 1.00 0.00 C ATOM 578 CD2 TRP A 39 4.528 7.233 -13.467 1.00 0.00 C ATOM 579 NE1 TRP A 39 5.639 6.823 -15.368 1.00 0.00 N ATOM 580 CE2 TRP A 39 4.386 7.031 -14.852 1.00 0.00 C ATOM 581 CE3 TRP A 39 3.382 7.468 -12.701 1.00 0.00 C ATOM 582 CZ2 TRP A 39 3.147 7.058 -15.485 1.00 0.00 C ATOM 583 CZ3 TRP A 39 2.152 7.496 -13.331 1.00 0.00 C ATOM 584 CH2 TRP A 39 2.044 7.289 -14.710 1.00 0.00 C ATOM 0 H TRP A 39 7.212 8.168 -9.457 1.00 0.00 H new ATOM 0 HA TRP A 39 7.637 9.088 -12.228 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.458 6.656 -11.774 1.00 0.00 H new ATOM 0 HB3 TRP A 39 5.880 6.908 -11.055 1.00 0.00 H new ATOM 0 HD1 TRP A 39 7.624 6.759 -14.473 1.00 0.00 H new ATOM 0 HE1 TRP A 39 5.853 6.648 -16.350 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.457 7.625 -11.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 3.060 6.902 -16.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.261 7.681 -12.750 1.00 0.00 H new ATOM 0 HH2 TRP A 39 1.068 7.312 -15.173 1.00 0.00 H new ATOM 595 N THR A 40 5.493 10.341 -12.480 1.00 0.00 N ATOM 596 CA THR A 40 4.361 11.236 -12.553 1.00 0.00 C ATOM 597 C THR A 40 3.845 11.295 -13.984 1.00 0.00 C ATOM 598 O THR A 40 4.523 10.850 -14.914 1.00 0.00 O ATOM 599 CB THR A 40 4.736 12.650 -12.051 1.00 0.00 C ATOM 600 OG1 THR A 40 3.566 13.469 -11.935 1.00 0.00 O ATOM 601 CG2 THR A 40 5.738 13.321 -12.984 1.00 0.00 C ATOM 0 H THR A 40 6.073 10.324 -13.319 1.00 0.00 H new ATOM 0 HA THR A 40 3.573 10.853 -11.905 1.00 0.00 H new ATOM 0 HB THR A 40 5.197 12.538 -11.070 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.398 13.668 -10.990 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.981 14.313 -12.604 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.646 12.720 -13.036 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.304 13.411 -13.980 1.00 0.00 H new ATOM 609 N THR A 41 2.649 11.831 -14.158 1.00 0.00 N ATOM 610 CA THR A 41 2.046 11.935 -15.473 1.00 0.00 C ATOM 611 C THR A 41 2.675 13.077 -16.266 1.00 0.00 C ATOM 612 O THR A 41 3.014 14.120 -15.704 1.00 0.00 O ATOM 613 CB THR A 41 0.524 12.156 -15.354 1.00 0.00 C ATOM 614 OG1 THR A 41 0.259 13.314 -14.556 1.00 0.00 O ATOM 615 CG2 THR A 41 -0.146 10.949 -14.718 1.00 0.00 C ATOM 0 H THR A 41 2.075 12.202 -13.401 1.00 0.00 H new ATOM 0 HA THR A 41 2.227 11.000 -16.002 1.00 0.00 H new ATOM 0 HB THR A 41 0.122 12.299 -16.357 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.041 14.071 -15.140 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.219 11.126 -14.643 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.035 10.067 -15.332 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.265 10.788 -13.722 1.00 0.00 H new ATOM 623 N THR A 42 2.850 12.872 -17.565 1.00 0.00 N ATOM 624 CA THR A 42 3.440 13.890 -18.424 1.00 0.00 C ATOM 625 C THR A 42 2.395 14.916 -18.872 1.00 0.00 C ATOM 626 O THR A 42 2.699 15.829 -19.639 1.00 0.00 O ATOM 627 CB THR A 42 4.121 13.263 -19.659 1.00 0.00 C ATOM 628 OG1 THR A 42 3.270 12.258 -20.234 1.00 0.00 O ATOM 629 CG2 THR A 42 5.473 12.651 -19.296 1.00 0.00 C ATOM 0 H THR A 42 2.592 12.011 -18.047 1.00 0.00 H new ATOM 0 HA THR A 42 4.200 14.401 -17.833 1.00 0.00 H new ATOM 0 HB THR A 42 4.291 14.056 -20.388 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.709 11.867 -21.018 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.927 12.218 -20.187 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.127 13.425 -18.895 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.331 11.873 -18.546 1.00 0.00 H new ATOM 637 N GLY A 43 1.165 14.753 -18.387 1.00 0.00 N ATOM 638 CA GLY A 43 0.119 15.722 -18.664 1.00 0.00 C ATOM 639 C GLY A 43 -1.013 15.156 -19.499 1.00 0.00 C ATOM 640 O GLY A 43 -2.099 15.737 -19.549 1.00 0.00 O ATOM 0 H GLY A 43 0.875 13.966 -17.807 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.283 16.092 -17.721 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.553 16.577 -19.183 1.00 0.00 H new ATOM 644 N MET A 44 -0.772 14.022 -20.140 1.00 0.00 N ATOM 645 CA MET A 44 -1.759 13.433 -21.040 1.00 0.00 C ATOM 646 C MET A 44 -2.720 12.516 -20.290 1.00 0.00 C ATOM 647 O MET A 44 -2.358 11.412 -19.892 1.00 0.00 O ATOM 648 CB MET A 44 -1.069 12.652 -22.163 1.00 0.00 C ATOM 649 CG MET A 44 -0.199 13.514 -23.063 1.00 0.00 C ATOM 650 SD MET A 44 0.554 12.584 -24.415 1.00 0.00 S ATOM 651 CE MET A 44 1.512 11.371 -23.508 1.00 0.00 C ATOM 0 H MET A 44 0.095 13.491 -20.056 1.00 0.00 H new ATOM 0 HA MET A 44 -2.333 14.251 -21.474 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.454 11.867 -21.723 1.00 0.00 H new ATOM 0 HB3 MET A 44 -1.828 12.160 -22.770 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.802 14.322 -23.477 1.00 0.00 H new ATOM 0 HG3 MET A 44 0.587 13.976 -22.465 1.00 0.00 H new ATOM 0 HE1 MET A 44 2.534 11.356 -23.888 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.522 11.633 -22.450 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.064 10.385 -23.634 1.00 0.00 H new ATOM 661 N PHE A 45 -3.936 12.996 -20.080 1.00 0.00 N ATOM 662 CA PHE A 45 -4.986 12.188 -19.470 1.00 0.00 C ATOM 663 C PHE A 45 -6.016 11.782 -20.522 1.00 0.00 C ATOM 664 O PHE A 45 -6.252 12.526 -21.478 1.00 0.00 O ATOM 665 CB PHE A 45 -5.665 12.952 -18.330 1.00 0.00 C ATOM 666 CG PHE A 45 -4.762 13.214 -17.160 1.00 0.00 C ATOM 667 CD1 PHE A 45 -4.511 12.219 -16.229 1.00 0.00 C ATOM 668 CD2 PHE A 45 -4.160 14.452 -16.996 1.00 0.00 C ATOM 669 CE1 PHE A 45 -3.677 12.454 -15.153 1.00 0.00 C ATOM 670 CE2 PHE A 45 -3.325 14.690 -15.923 1.00 0.00 C ATOM 671 CZ PHE A 45 -3.083 13.690 -15.001 1.00 0.00 C ATOM 0 H PHE A 45 -4.223 13.944 -20.323 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.531 11.288 -19.056 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.036 13.903 -18.712 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.532 12.385 -17.990 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.972 11.249 -16.346 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.346 15.237 -17.714 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.490 11.672 -14.432 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.861 15.658 -15.804 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.429 13.876 -14.162 1.00 0.00 H new ATOM 681 N PRO A 46 -6.651 10.605 -20.372 1.00 0.00 N ATOM 682 CA PRO A 46 -6.404 9.676 -19.259 1.00 0.00 C ATOM 683 C PRO A 46 -5.015 9.041 -19.312 1.00 0.00 C ATOM 684 O PRO A 46 -4.410 8.924 -20.378 1.00 0.00 O ATOM 685 CB PRO A 46 -7.485 8.596 -19.433 1.00 0.00 C ATOM 686 CG PRO A 46 -8.468 9.169 -20.394 1.00 0.00 C ATOM 687 CD PRO A 46 -7.683 10.091 -21.279 1.00 0.00 C ATOM 0 HA PRO A 46 -6.444 10.192 -18.299 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.056 7.670 -19.815 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.959 8.358 -18.481 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.949 8.383 -20.976 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.258 9.708 -19.871 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.249 9.565 -22.129 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -8.303 10.891 -21.682 1.00 0.00 H new ATOM 695 N GLN A 47 -4.537 8.619 -18.153 1.00 0.00 N ATOM 696 CA GLN A 47 -3.203 8.057 -18.018 1.00 0.00 C ATOM 697 C GLN A 47 -3.286 6.548 -17.807 1.00 0.00 C ATOM 698 O GLN A 47 -3.999 6.082 -16.919 1.00 0.00 O ATOM 699 CB GLN A 47 -2.499 8.701 -16.824 1.00 0.00 C ATOM 700 CG GLN A 47 -1.076 8.219 -16.611 1.00 0.00 C ATOM 701 CD GLN A 47 -0.096 8.840 -17.583 1.00 0.00 C ATOM 702 OE1 GLN A 47 -0.273 9.970 -18.034 1.00 0.00 O ATOM 703 NE2 GLN A 47 0.958 8.110 -17.901 1.00 0.00 N ATOM 0 H GLN A 47 -5.062 8.656 -17.280 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.639 8.257 -18.929 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.488 9.782 -16.962 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.078 8.500 -15.923 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.767 8.451 -15.592 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.045 7.134 -16.714 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.070 7.176 -17.506 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.660 8.480 -18.542 1.00 0.00 H new ATOM 712 N GLU A 48 -2.559 5.790 -18.613 1.00 0.00 N ATOM 713 CA GLU A 48 -2.571 4.340 -18.496 1.00 0.00 C ATOM 714 C GLU A 48 -1.199 3.804 -18.104 1.00 0.00 C ATOM 715 O GLU A 48 -0.184 4.157 -18.710 1.00 0.00 O ATOM 716 CB GLU A 48 -2.999 3.689 -19.812 1.00 0.00 C ATOM 717 CG GLU A 48 -4.428 3.995 -20.222 1.00 0.00 C ATOM 718 CD GLU A 48 -4.808 3.303 -21.515 1.00 0.00 C ATOM 719 OE1 GLU A 48 -5.273 2.143 -21.461 1.00 0.00 O ATOM 720 OE2 GLU A 48 -4.630 3.912 -22.593 1.00 0.00 O ATOM 0 H GLU A 48 -1.956 6.152 -19.352 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.289 4.089 -17.715 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.327 4.020 -20.604 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.881 2.609 -19.725 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.108 3.681 -19.430 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.549 5.072 -20.338 1.00 0.00 H new ATOM 727 N PHE A 49 -1.167 2.969 -17.077 1.00 0.00 N ATOM 728 CA PHE A 49 0.030 2.206 -16.758 1.00 0.00 C ATOM 729 C PHE A 49 -0.354 0.865 -16.147 1.00 0.00 C ATOM 730 O PHE A 49 -1.157 0.797 -15.214 1.00 0.00 O ATOM 731 CB PHE A 49 0.993 2.992 -15.845 1.00 0.00 C ATOM 732 CG PHE A 49 0.441 3.394 -14.500 1.00 0.00 C ATOM 733 CD1 PHE A 49 -0.389 4.497 -14.373 1.00 0.00 C ATOM 734 CD2 PHE A 49 0.781 2.682 -13.359 1.00 0.00 C ATOM 735 CE1 PHE A 49 -0.870 4.880 -13.135 1.00 0.00 C ATOM 736 CE2 PHE A 49 0.300 3.059 -12.121 1.00 0.00 C ATOM 737 CZ PHE A 49 -0.526 4.161 -12.008 1.00 0.00 C ATOM 0 H PHE A 49 -1.955 2.802 -16.451 1.00 0.00 H new ATOM 0 HA PHE A 49 0.570 2.022 -17.686 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.886 2.388 -15.684 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.308 3.893 -16.371 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.663 5.063 -15.251 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.430 1.822 -13.440 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.515 5.742 -13.049 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.569 2.493 -11.241 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.902 4.459 -11.040 1.00 0.00 H new ATOM 747 N ILE A 50 0.192 -0.204 -16.709 1.00 0.00 N ATOM 748 CA ILE A 50 -0.131 -1.549 -16.264 1.00 0.00 C ATOM 749 C ILE A 50 1.033 -2.139 -15.487 1.00 0.00 C ATOM 750 O ILE A 50 2.163 -2.141 -15.960 1.00 0.00 O ATOM 751 CB ILE A 50 -0.464 -2.480 -17.454 1.00 0.00 C ATOM 752 CG1 ILE A 50 -1.606 -1.896 -18.289 1.00 0.00 C ATOM 753 CG2 ILE A 50 -0.822 -3.877 -16.958 1.00 0.00 C ATOM 754 CD1 ILE A 50 -2.007 -2.762 -19.466 1.00 0.00 C ATOM 0 H ILE A 50 0.863 -0.164 -17.476 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.010 -1.476 -15.623 1.00 0.00 H new ATOM 0 HB ILE A 50 0.420 -2.558 -18.087 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.474 -1.747 -17.647 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.309 -0.914 -18.657 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.053 -4.517 -17.809 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.021 -4.295 -16.408 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.690 -3.819 -16.302 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.821 -2.283 -20.010 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.153 -2.890 -20.131 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.336 -3.737 -19.105 1.00 0.00 H new ATOM 766 N ILE A 51 0.759 -2.630 -14.295 1.00 0.00 N ATOM 767 CA ILE A 51 1.779 -3.279 -13.499 1.00 0.00 C ATOM 768 C ILE A 51 1.557 -4.785 -13.507 1.00 0.00 C ATOM 769 O ILE A 51 0.500 -5.274 -13.102 1.00 0.00 O ATOM 770 CB ILE A 51 1.791 -2.762 -12.044 1.00 0.00 C ATOM 771 CG1 ILE A 51 1.933 -1.236 -12.026 1.00 0.00 C ATOM 772 CG2 ILE A 51 2.924 -3.411 -11.259 1.00 0.00 C ATOM 773 CD1 ILE A 51 1.924 -0.640 -10.636 1.00 0.00 C ATOM 0 H ILE A 51 -0.161 -2.592 -13.857 1.00 0.00 H new ATOM 0 HA ILE A 51 2.746 -3.043 -13.943 1.00 0.00 H new ATOM 0 HB ILE A 51 0.846 -3.030 -11.571 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.863 -0.961 -12.524 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.120 -0.798 -12.605 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.919 -3.036 -10.236 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.788 -4.492 -11.250 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.877 -3.169 -11.729 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.029 0.443 -10.704 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.984 -0.884 -10.142 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.753 -1.049 -10.059 1.00 0.00 H new ATOM 785 N CYS A 52 2.544 -5.506 -13.998 1.00 0.00 N ATOM 786 CA CYS A 52 2.488 -6.952 -14.038 1.00 0.00 C ATOM 787 C CYS A 52 3.170 -7.522 -12.805 1.00 0.00 C ATOM 788 O CYS A 52 4.314 -7.176 -12.507 1.00 0.00 O ATOM 789 CB CYS A 52 3.167 -7.479 -15.305 1.00 0.00 C ATOM 790 SG CYS A 52 3.155 -9.283 -15.456 1.00 0.00 S ATOM 0 H CYS A 52 3.403 -5.109 -14.378 1.00 0.00 H new ATOM 0 HA CYS A 52 1.444 -7.266 -14.051 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.671 -7.049 -16.175 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.200 -7.131 -15.322 1.00 0.00 H new ATOM 0 HG CYS A 52 2.446 -9.627 -16.490 1.00 0.00 H new ATOM 796 N PHE A 53 2.467 -8.390 -12.091 1.00 0.00 N ATOM 797 CA PHE A 53 3.015 -9.012 -10.895 1.00 0.00 C ATOM 798 C PHE A 53 4.163 -9.943 -11.249 1.00 0.00 C ATOM 799 O PHE A 53 5.025 -10.213 -10.412 1.00 0.00 O ATOM 800 CB PHE A 53 1.933 -9.786 -10.139 1.00 0.00 C ATOM 801 CG PHE A 53 0.919 -8.903 -9.480 1.00 0.00 C ATOM 802 CD1 PHE A 53 1.182 -8.336 -8.244 1.00 0.00 C ATOM 803 CD2 PHE A 53 -0.294 -8.641 -10.090 1.00 0.00 C ATOM 804 CE1 PHE A 53 0.252 -7.524 -7.629 1.00 0.00 C ATOM 805 CE2 PHE A 53 -1.229 -7.830 -9.481 1.00 0.00 C ATOM 806 CZ PHE A 53 -0.955 -7.270 -8.248 1.00 0.00 C ATOM 0 H PHE A 53 1.516 -8.679 -12.320 1.00 0.00 H new ATOM 0 HA PHE A 53 3.392 -8.218 -10.251 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.424 -10.456 -10.833 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.406 -10.411 -9.382 1.00 0.00 H new ATOM 0 HD1 PHE A 53 2.126 -8.532 -7.756 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.512 -9.076 -11.054 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.468 -7.088 -6.665 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.173 -7.633 -9.967 1.00 0.00 H new ATOM 0 HZ PHE A 53 -1.685 -6.634 -7.769 1.00 0.00 H new ATOM 816 N HIS A 54 4.159 -10.435 -12.490 1.00 0.00 N ATOM 817 CA HIS A 54 5.196 -11.346 -12.977 1.00 0.00 C ATOM 818 C HIS A 54 5.148 -12.656 -12.192 1.00 0.00 C ATOM 819 O HIS A 54 6.122 -13.403 -12.132 1.00 0.00 O ATOM 820 CB HIS A 54 6.577 -10.688 -12.850 1.00 0.00 C ATOM 821 CG HIS A 54 7.642 -11.309 -13.701 1.00 0.00 C ATOM 822 ND1 HIS A 54 8.512 -12.275 -13.244 1.00 0.00 N ATOM 823 CD2 HIS A 54 7.972 -11.087 -14.991 1.00 0.00 C ATOM 824 CE1 HIS A 54 9.331 -12.621 -14.220 1.00 0.00 C ATOM 825 NE2 HIS A 54 9.023 -11.917 -15.294 1.00 0.00 N ATOM 0 H HIS A 54 3.442 -10.215 -13.181 1.00 0.00 H new ATOM 0 HA HIS A 54 5.015 -11.565 -14.029 1.00 0.00 H new ATOM 0 HB2 HIS A 54 6.489 -9.634 -13.113 1.00 0.00 H new ATOM 0 HB3 HIS A 54 6.892 -10.731 -11.807 1.00 0.00 H new ATOM 0 HD2 HIS A 54 7.497 -10.386 -15.661 1.00 0.00 H new ATOM 0 HE1 HIS A 54 10.120 -13.356 -14.152 1.00 0.00 H new ATOM 0 HE2 HIS A 54 9.489 -11.980 -16.199 1.00 0.00 H new ATOM 833 N LYS A 55 3.994 -12.924 -11.598 1.00 0.00 N ATOM 834 CA LYS A 55 3.792 -14.105 -10.774 1.00 0.00 C ATOM 835 C LYS A 55 2.305 -14.279 -10.482 1.00 0.00 C ATOM 836 O LYS A 55 1.491 -13.449 -10.880 1.00 0.00 O ATOM 837 CB LYS A 55 4.593 -13.991 -9.467 1.00 0.00 C ATOM 838 CG LYS A 55 4.384 -12.677 -8.732 1.00 0.00 C ATOM 839 CD LYS A 55 5.309 -12.550 -7.532 1.00 0.00 C ATOM 840 CE LYS A 55 5.248 -11.160 -6.917 1.00 0.00 C ATOM 841 NZ LYS A 55 5.809 -10.120 -7.823 1.00 0.00 N ATOM 0 H LYS A 55 3.171 -12.327 -11.675 1.00 0.00 H new ATOM 0 HA LYS A 55 4.150 -14.982 -11.314 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.314 -14.813 -8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.654 -14.107 -9.690 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.559 -11.846 -9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.348 -12.606 -8.402 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.035 -13.292 -6.782 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.332 -12.768 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.213 -10.914 -6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.799 -11.156 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.670 -9.180 -7.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.826 -10.291 -7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.323 -10.161 -8.742 1.00 0.00 H new ATOM 855 N HIS A 56 1.957 -15.356 -9.794 1.00 0.00 N ATOM 856 CA HIS A 56 0.569 -15.639 -9.454 1.00 0.00 C ATOM 857 C HIS A 56 0.341 -15.341 -7.981 1.00 0.00 C ATOM 858 O HIS A 56 0.850 -16.055 -7.115 1.00 0.00 O ATOM 859 CB HIS A 56 0.223 -17.108 -9.738 1.00 0.00 C ATOM 860 CG HIS A 56 0.419 -17.537 -11.163 1.00 0.00 C ATOM 861 ND1 HIS A 56 1.466 -18.336 -11.574 1.00 0.00 N ATOM 862 CD2 HIS A 56 -0.326 -17.304 -12.271 1.00 0.00 C ATOM 863 CE1 HIS A 56 1.357 -18.574 -12.865 1.00 0.00 C ATOM 864 NE2 HIS A 56 0.275 -17.963 -13.318 1.00 0.00 N ATOM 0 H HIS A 56 2.621 -16.053 -9.458 1.00 0.00 H new ATOM 0 HA HIS A 56 -0.074 -15.008 -10.067 1.00 0.00 H new ATOM 0 HB2 HIS A 56 0.834 -17.741 -9.095 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -0.817 -17.282 -9.461 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -1.226 -16.710 -12.322 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.038 -19.169 -13.455 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.058 -17.978 -14.282 1.00 0.00 H new ATOM 872 N VAL A 57 -0.400 -14.284 -7.694 1.00 0.00 N ATOM 873 CA VAL A 57 -0.621 -13.869 -6.315 1.00 0.00 C ATOM 874 C VAL A 57 -2.104 -13.687 -6.017 1.00 0.00 C ATOM 875 O VAL A 57 -2.927 -13.606 -6.930 1.00 0.00 O ATOM 876 CB VAL A 57 0.106 -12.542 -5.992 1.00 0.00 C ATOM 877 CG1 VAL A 57 1.590 -12.642 -6.306 1.00 0.00 C ATOM 878 CG2 VAL A 57 -0.531 -11.377 -6.742 1.00 0.00 C ATOM 0 H VAL A 57 -0.858 -13.698 -8.393 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.216 -14.666 -5.691 1.00 0.00 H new ATOM 0 HB VAL A 57 0.002 -12.354 -4.923 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.076 -11.696 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.035 -13.438 -5.709 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.724 -12.864 -7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.003 -10.455 -6.499 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.470 -11.558 -7.815 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.577 -11.284 -6.449 1.00 0.00 H new ATOM 888 N ARG A 58 -2.433 -13.629 -4.734 1.00 0.00 N ATOM 889 CA ARG A 58 -3.772 -13.281 -4.303 1.00 0.00 C ATOM 890 C ARG A 58 -3.687 -12.080 -3.371 1.00 0.00 C ATOM 891 O ARG A 58 -2.970 -12.109 -2.364 1.00 0.00 O ATOM 892 CB ARG A 58 -4.460 -14.463 -3.615 1.00 0.00 C ATOM 893 CG ARG A 58 -5.946 -14.238 -3.382 1.00 0.00 C ATOM 894 CD ARG A 58 -6.642 -15.497 -2.888 1.00 0.00 C ATOM 895 NE ARG A 58 -6.215 -15.880 -1.544 1.00 0.00 N ATOM 896 CZ ARG A 58 -6.667 -16.954 -0.898 1.00 0.00 C ATOM 897 NH1 ARG A 58 -7.536 -17.772 -1.489 1.00 0.00 N ATOM 898 NH2 ARG A 58 -6.248 -17.211 0.338 1.00 0.00 N ATOM 0 H ARG A 58 -1.783 -13.821 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.376 -13.026 -5.174 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.325 -15.358 -4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.973 -14.652 -2.658 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.082 -13.439 -2.653 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.412 -13.906 -4.310 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.720 -15.338 -2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.438 -16.316 -3.578 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.530 -15.290 -1.072 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.856 -17.577 -2.437 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.881 -18.594 -0.993 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.581 -16.586 0.791 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.594 -18.033 0.833 1.00 0.00 H new ATOM 912 N ILE A 59 -4.408 -11.028 -3.718 1.00 0.00 N ATOM 913 CA ILE A 59 -4.298 -9.757 -3.024 1.00 0.00 C ATOM 914 C ILE A 59 -5.283 -9.679 -1.860 1.00 0.00 C ATOM 915 O ILE A 59 -6.429 -10.118 -1.972 1.00 0.00 O ATOM 916 CB ILE A 59 -4.560 -8.589 -4.004 1.00 0.00 C ATOM 917 CG1 ILE A 59 -3.579 -8.655 -5.178 1.00 0.00 C ATOM 918 CG2 ILE A 59 -4.452 -7.247 -3.292 1.00 0.00 C ATOM 919 CD1 ILE A 59 -3.868 -7.647 -6.266 1.00 0.00 C ATOM 0 H ILE A 59 -5.082 -11.030 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.286 -9.678 -2.627 1.00 0.00 H new ATOM 0 HB ILE A 59 -5.575 -8.685 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.568 -8.494 -4.805 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.605 -9.657 -5.606 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.640 -6.442 -4.002 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.187 -7.201 -2.488 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.451 -7.136 -2.875 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.133 -7.752 -7.064 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.867 -7.821 -6.667 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.813 -6.640 -5.853 1.00 0.00 H new ATOM 931 N GLU A 60 -4.811 -9.144 -0.739 1.00 0.00 N ATOM 932 CA GLU A 60 -5.651 -8.917 0.429 1.00 0.00 C ATOM 933 C GLU A 60 -6.013 -7.439 0.531 1.00 0.00 C ATOM 934 O GLU A 60 -7.180 -7.083 0.700 1.00 0.00 O ATOM 935 CB GLU A 60 -4.924 -9.366 1.696 1.00 0.00 C ATOM 936 CG GLU A 60 -4.691 -10.865 1.770 1.00 0.00 C ATOM 937 CD GLU A 60 -5.961 -11.640 2.040 1.00 0.00 C ATOM 938 OE1 GLU A 60 -6.681 -11.292 3.003 1.00 0.00 O ATOM 939 OE2 GLU A 60 -6.250 -12.597 1.297 1.00 0.00 O ATOM 0 H GLU A 60 -3.840 -8.857 -0.616 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.566 -9.500 0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.963 -8.855 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.503 -9.054 2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.254 -11.207 0.832 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.966 -11.078 2.556 1.00 0.00 H new ATOM 946 N ARG A 61 -5.002 -6.579 0.440 1.00 0.00 N ATOM 947 CA ARG A 61 -5.223 -5.138 0.448 1.00 0.00 C ATOM 948 C ARG A 61 -4.278 -4.440 -0.521 1.00 0.00 C ATOM 949 O ARG A 61 -3.217 -4.965 -0.865 1.00 0.00 O ATOM 950 CB ARG A 61 -5.029 -4.540 1.848 1.00 0.00 C ATOM 951 CG ARG A 61 -5.999 -5.059 2.898 1.00 0.00 C ATOM 952 CD ARG A 61 -6.061 -4.139 4.109 1.00 0.00 C ATOM 953 NE ARG A 61 -4.731 -3.757 4.587 1.00 0.00 N ATOM 954 CZ ARG A 61 -4.440 -2.557 5.087 1.00 0.00 C ATOM 955 NH1 ARG A 61 -5.403 -1.667 5.287 1.00 0.00 N ATOM 956 NH2 ARG A 61 -3.194 -2.247 5.414 1.00 0.00 N ATOM 0 H ARG A 61 -4.023 -6.856 0.360 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.255 -4.977 0.137 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.011 -4.746 2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.130 -3.457 1.783 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.993 -5.153 2.461 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.694 -6.057 3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.624 -3.241 3.852 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -6.604 -4.636 4.913 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.984 -4.450 4.534 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.369 -1.901 5.058 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.177 -0.749 5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.448 -2.930 5.284 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -2.981 -1.326 5.796 1.00 0.00 H new ATOM 970 N LEU A 62 -4.674 -3.254 -0.946 1.00 0.00 N ATOM 971 CA LEU A 62 -3.840 -2.411 -1.784 1.00 0.00 C ATOM 972 C LEU A 62 -3.379 -1.211 -0.976 1.00 0.00 C ATOM 973 O LEU A 62 -4.180 -0.590 -0.280 1.00 0.00 O ATOM 974 CB LEU A 62 -4.614 -1.909 -3.010 1.00 0.00 C ATOM 975 CG LEU A 62 -5.173 -2.982 -3.943 1.00 0.00 C ATOM 976 CD1 LEU A 62 -6.015 -2.347 -5.035 1.00 0.00 C ATOM 977 CD2 LEU A 62 -4.050 -3.805 -4.554 1.00 0.00 C ATOM 0 H LEU A 62 -5.582 -2.848 -0.720 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.989 -3.001 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.443 -1.292 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.955 -1.261 -3.589 1.00 0.00 H new ATOM 0 HG LEU A 62 -5.805 -3.648 -3.356 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.406 -3.124 -5.691 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.844 -1.802 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.400 -1.658 -5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.472 -4.563 -5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.390 -3.152 -5.125 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.482 -4.291 -3.761 1.00 0.00 H new ATOM 989 N VAL A 63 -2.100 -0.902 -1.043 1.00 0.00 N ATOM 990 CA VAL A 63 -1.581 0.301 -0.420 1.00 0.00 C ATOM 991 C VAL A 63 -1.080 1.246 -1.497 1.00 0.00 C ATOM 992 O VAL A 63 -0.047 1.005 -2.122 1.00 0.00 O ATOM 993 CB VAL A 63 -0.450 0.000 0.582 1.00 0.00 C ATOM 994 CG1 VAL A 63 0.090 1.289 1.185 1.00 0.00 C ATOM 995 CG2 VAL A 63 -0.942 -0.936 1.674 1.00 0.00 C ATOM 0 H VAL A 63 -1.399 -1.467 -1.523 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.393 0.763 0.142 1.00 0.00 H new ATOM 0 HB VAL A 63 0.362 -0.492 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.888 1.055 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.482 1.925 0.392 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.713 1.811 1.706 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.130 -1.138 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.772 -0.470 2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.277 -1.872 1.227 1.00 0.00 H new ATOM 1005 N ILE A 64 -1.843 2.296 -1.737 1.00 0.00 N ATOM 1006 CA ILE A 64 -1.535 3.223 -2.809 1.00 0.00 C ATOM 1007 C ILE A 64 -1.266 4.619 -2.257 1.00 0.00 C ATOM 1008 O ILE A 64 -2.153 5.250 -1.677 1.00 0.00 O ATOM 1009 CB ILE A 64 -2.692 3.282 -3.832 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -3.153 1.858 -4.191 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -2.258 4.043 -5.081 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -4.187 1.802 -5.293 1.00 0.00 C ATOM 0 H ILE A 64 -2.681 2.528 -1.204 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.637 2.863 -3.312 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.532 3.814 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.285 1.272 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.563 1.385 -3.299 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.083 4.076 -5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.974 5.059 -4.808 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.406 3.538 -5.537 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.458 0.764 -5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.074 2.358 -4.989 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.776 2.244 -6.201 1.00 0.00 H new ATOM 1024 N GLN A 65 -0.033 5.082 -2.409 1.00 0.00 N ATOM 1025 CA GLN A 65 0.330 6.436 -2.006 1.00 0.00 C ATOM 1026 C GLN A 65 0.374 7.337 -3.230 1.00 0.00 C ATOM 1027 O GLN A 65 1.335 7.301 -3.997 1.00 0.00 O ATOM 1028 CB GLN A 65 1.698 6.456 -1.316 1.00 0.00 C ATOM 1029 CG GLN A 65 1.798 5.547 -0.104 1.00 0.00 C ATOM 1030 CD GLN A 65 3.161 5.616 0.557 1.00 0.00 C ATOM 1031 OE1 GLN A 65 4.171 5.886 -0.097 1.00 0.00 O ATOM 1032 NE2 GLN A 65 3.199 5.367 1.858 1.00 0.00 N ATOM 0 H GLN A 65 0.734 4.541 -2.808 1.00 0.00 H new ATOM 0 HA GLN A 65 -0.420 6.796 -1.302 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.461 6.165 -2.038 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.923 7.478 -1.009 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.031 5.824 0.620 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.595 4.519 -0.406 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.339 5.148 2.361 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.088 5.395 2.357 1.00 0.00 H new ATOM 1041 N SER A 66 -0.661 8.138 -3.415 1.00 0.00 N ATOM 1042 CA SER A 66 -0.762 8.979 -4.596 1.00 0.00 C ATOM 1043 C SER A 66 -1.096 10.416 -4.215 1.00 0.00 C ATOM 1044 O SER A 66 -1.863 10.657 -3.285 1.00 0.00 O ATOM 1045 CB SER A 66 -1.828 8.410 -5.534 1.00 0.00 C ATOM 1046 OG SER A 66 -3.047 8.179 -4.845 1.00 0.00 O ATOM 0 H SER A 66 -1.442 8.224 -2.764 1.00 0.00 H new ATOM 0 HA SER A 66 0.201 8.988 -5.107 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.999 9.103 -6.358 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.472 7.477 -5.971 1.00 0.00 H new ATOM 0 HG SER A 66 -3.711 7.817 -5.468 1.00 0.00 H new ATOM 1052 N TYR A 67 -0.508 11.365 -4.932 1.00 0.00 N ATOM 1053 CA TYR A 67 -0.770 12.772 -4.686 1.00 0.00 C ATOM 1054 C TYR A 67 -1.563 13.363 -5.850 1.00 0.00 C ATOM 1055 O TYR A 67 -1.322 13.017 -7.010 1.00 0.00 O ATOM 1056 CB TYR A 67 0.547 13.527 -4.485 1.00 0.00 C ATOM 1057 CG TYR A 67 0.387 14.851 -3.768 1.00 0.00 C ATOM 1058 CD1 TYR A 67 -0.016 14.895 -2.439 1.00 0.00 C ATOM 1059 CD2 TYR A 67 0.647 16.052 -4.412 1.00 0.00 C ATOM 1060 CE1 TYR A 67 -0.158 16.098 -1.774 1.00 0.00 C ATOM 1061 CE2 TYR A 67 0.507 17.259 -3.754 1.00 0.00 C ATOM 1062 CZ TYR A 67 0.105 17.276 -2.436 1.00 0.00 C ATOM 1063 OH TYR A 67 -0.035 18.480 -1.780 1.00 0.00 O ATOM 0 H TYR A 67 0.153 11.183 -5.688 1.00 0.00 H new ATOM 0 HA TYR A 67 -1.362 12.873 -3.777 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.233 12.898 -3.918 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.006 13.704 -5.458 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.222 13.973 -1.916 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.964 16.043 -5.444 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.473 16.114 -0.741 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.712 18.185 -4.270 1.00 0.00 H new ATOM 0 HH TYR A 67 0.191 19.213 -2.390 1.00 0.00 H new ATOM 1073 N PHE A 68 -2.502 14.251 -5.521 1.00 0.00 N ATOM 1074 CA PHE A 68 -3.448 14.812 -6.487 1.00 0.00 C ATOM 1075 C PHE A 68 -4.409 13.737 -6.990 1.00 0.00 C ATOM 1076 O PHE A 68 -5.361 13.391 -6.292 1.00 0.00 O ATOM 1077 CB PHE A 68 -2.750 15.501 -7.670 1.00 0.00 C ATOM 1078 CG PHE A 68 -2.111 16.817 -7.323 1.00 0.00 C ATOM 1079 CD1 PHE A 68 -2.883 17.880 -6.883 1.00 0.00 C ATOM 1080 CD2 PHE A 68 -0.743 16.990 -7.443 1.00 0.00 C ATOM 1081 CE1 PHE A 68 -2.300 19.093 -6.569 1.00 0.00 C ATOM 1082 CE2 PHE A 68 -0.156 18.203 -7.131 1.00 0.00 C ATOM 1083 CZ PHE A 68 -0.936 19.255 -6.694 1.00 0.00 C ATOM 0 H PHE A 68 -2.628 14.603 -4.572 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.014 15.579 -5.959 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.987 14.832 -8.067 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.479 15.661 -8.465 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.952 17.759 -6.784 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -0.128 16.170 -7.783 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.912 19.914 -6.226 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.912 18.327 -7.229 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.479 20.203 -6.451 1.00 0.00 H new ATOM 1093 N VAL A 69 -4.130 13.196 -8.183 1.00 0.00 N ATOM 1094 CA VAL A 69 -5.005 12.208 -8.829 1.00 0.00 C ATOM 1095 C VAL A 69 -6.457 12.711 -8.813 1.00 0.00 C ATOM 1096 O VAL A 69 -6.678 13.921 -8.859 1.00 0.00 O ATOM 1097 CB VAL A 69 -4.896 10.818 -8.141 1.00 0.00 C ATOM 1098 CG1 VAL A 69 -5.368 9.702 -9.069 1.00 0.00 C ATOM 1099 CG2 VAL A 69 -3.469 10.548 -7.691 1.00 0.00 C ATOM 0 H VAL A 69 -3.298 13.428 -8.725 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.682 12.086 -9.863 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.545 10.835 -7.265 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.279 8.743 -8.559 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.409 9.873 -9.343 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.753 9.693 -9.969 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.417 9.570 -7.213 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.806 10.564 -8.556 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.160 11.316 -6.982 1.00 0.00 H new ATOM 1109 N GLN A 70 -7.419 11.791 -8.789 1.00 0.00 N ATOM 1110 CA GLN A 70 -8.841 12.117 -8.662 1.00 0.00 C ATOM 1111 C GLN A 70 -9.669 10.852 -8.851 1.00 0.00 C ATOM 1112 O GLN A 70 -10.192 10.286 -7.893 1.00 0.00 O ATOM 1113 CB GLN A 70 -9.282 13.172 -9.684 1.00 0.00 C ATOM 1114 CG GLN A 70 -10.732 13.603 -9.532 1.00 0.00 C ATOM 1115 CD GLN A 70 -11.123 14.707 -10.495 1.00 0.00 C ATOM 1116 OE1 GLN A 70 -11.979 15.534 -10.192 1.00 0.00 O ATOM 1117 NE2 GLN A 70 -10.507 14.724 -11.665 1.00 0.00 N ATOM 0 H GLN A 70 -7.234 10.790 -8.858 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.000 12.531 -7.666 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.640 14.048 -9.589 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.134 12.776 -10.689 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.381 12.742 -9.692 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -10.900 13.943 -8.510 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.801 14.020 -11.880 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.738 15.441 -12.352 1.00 0.00 H new ATOM 1126 N THR A 71 -9.749 10.400 -10.093 1.00 0.00 N ATOM 1127 CA THR A 71 -10.509 9.209 -10.424 1.00 0.00 C ATOM 1128 C THR A 71 -9.576 8.127 -10.961 1.00 0.00 C ATOM 1129 O THR A 71 -9.101 8.210 -12.097 1.00 0.00 O ATOM 1130 CB THR A 71 -11.590 9.525 -11.474 1.00 0.00 C ATOM 1131 OG1 THR A 71 -12.265 10.742 -11.126 1.00 0.00 O ATOM 1132 CG2 THR A 71 -12.600 8.390 -11.573 1.00 0.00 C ATOM 0 H THR A 71 -9.294 10.844 -10.891 1.00 0.00 H new ATOM 0 HA THR A 71 -10.997 8.852 -9.517 1.00 0.00 H new ATOM 0 HB THR A 71 -11.103 9.640 -12.443 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.706 10.635 -10.257 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.353 8.637 -12.321 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.089 7.472 -11.863 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.082 8.247 -10.606 1.00 0.00 H new ATOM 1140 N LEU A 72 -9.296 7.132 -10.133 1.00 0.00 N ATOM 1141 CA LEU A 72 -8.374 6.066 -10.499 1.00 0.00 C ATOM 1142 C LEU A 72 -9.111 4.745 -10.700 1.00 0.00 C ATOM 1143 O LEU A 72 -9.665 4.184 -9.759 1.00 0.00 O ATOM 1144 CB LEU A 72 -7.298 5.918 -9.418 1.00 0.00 C ATOM 1145 CG LEU A 72 -6.367 4.710 -9.574 1.00 0.00 C ATOM 1146 CD1 LEU A 72 -5.725 4.703 -10.952 1.00 0.00 C ATOM 1147 CD2 LEU A 72 -5.299 4.723 -8.491 1.00 0.00 C ATOM 0 H LEU A 72 -9.696 7.040 -9.199 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.900 6.330 -11.444 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.691 6.823 -9.408 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.790 5.853 -8.447 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.960 3.802 -9.468 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -5.068 3.838 -11.043 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.502 4.651 -11.715 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.144 5.615 -11.088 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.645 3.860 -8.614 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.711 5.637 -8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.774 4.681 -7.511 1.00 0.00 H new ATOM 1159 N LYS A 73 -9.108 4.253 -11.928 1.00 0.00 N ATOM 1160 CA LYS A 73 -9.742 2.985 -12.241 1.00 0.00 C ATOM 1161 C LYS A 73 -8.727 1.848 -12.179 1.00 0.00 C ATOM 1162 O LYS A 73 -7.814 1.770 -13.001 1.00 0.00 O ATOM 1163 CB LYS A 73 -10.393 3.039 -13.626 1.00 0.00 C ATOM 1164 CG LYS A 73 -10.991 1.713 -14.073 1.00 0.00 C ATOM 1165 CD LYS A 73 -11.748 1.850 -15.383 1.00 0.00 C ATOM 1166 CE LYS A 73 -12.276 0.507 -15.863 1.00 0.00 C ATOM 1167 NZ LYS A 73 -13.243 -0.101 -14.907 1.00 0.00 N ATOM 0 H LYS A 73 -8.672 4.715 -12.726 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.518 2.798 -11.498 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.176 3.797 -13.620 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.648 3.356 -14.356 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.196 0.976 -14.188 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.664 1.339 -13.301 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.579 2.544 -15.254 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.091 2.276 -16.141 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.760 0.636 -16.831 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.440 -0.176 -16.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.508 -1.051 -15.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.804 -0.172 -13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.093 0.495 -14.848 1.00 0.00 H new ATOM 1181 N ILE A 74 -8.881 0.981 -11.189 1.00 0.00 N ATOM 1182 CA ILE A 74 -8.020 -0.182 -11.047 1.00 0.00 C ATOM 1183 C ILE A 74 -8.656 -1.379 -11.742 1.00 0.00 C ATOM 1184 O ILE A 74 -9.606 -1.980 -11.230 1.00 0.00 O ATOM 1185 CB ILE A 74 -7.773 -0.529 -9.563 1.00 0.00 C ATOM 1186 CG1 ILE A 74 -7.300 0.712 -8.798 1.00 0.00 C ATOM 1187 CG2 ILE A 74 -6.747 -1.649 -9.444 1.00 0.00 C ATOM 1188 CD1 ILE A 74 -7.249 0.515 -7.300 1.00 0.00 C ATOM 0 H ILE A 74 -9.599 1.063 -10.469 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.061 0.056 -11.507 1.00 0.00 H new ATOM 0 HB ILE A 74 -8.711 -0.871 -9.125 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.308 0.992 -9.153 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -7.966 1.544 -9.024 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -6.583 -1.882 -8.392 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -7.115 -2.536 -9.959 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.807 -1.331 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.906 1.433 -6.824 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.244 0.265 -6.932 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.560 -0.296 -7.063 1.00 0.00 H new ATOM 1200 N GLU A 75 -8.150 -1.700 -12.919 1.00 0.00 N ATOM 1201 CA GLU A 75 -8.693 -2.787 -13.714 1.00 0.00 C ATOM 1202 C GLU A 75 -7.790 -4.016 -13.604 1.00 0.00 C ATOM 1203 O GLU A 75 -6.566 -3.904 -13.655 1.00 0.00 O ATOM 1204 CB GLU A 75 -8.831 -2.323 -15.163 1.00 0.00 C ATOM 1205 CG GLU A 75 -9.691 -3.225 -16.025 1.00 0.00 C ATOM 1206 CD GLU A 75 -10.048 -2.574 -17.342 1.00 0.00 C ATOM 1207 OE1 GLU A 75 -9.152 -2.425 -18.193 1.00 0.00 O ATOM 1208 OE2 GLU A 75 -11.223 -2.194 -17.526 1.00 0.00 O ATOM 0 H GLU A 75 -7.359 -1.220 -13.348 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.679 -3.067 -13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.255 -1.319 -15.172 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.838 -2.254 -15.607 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.162 -4.159 -16.214 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.604 -3.479 -15.486 1.00 0.00 H new ATOM 1215 N LYS A 76 -8.398 -5.181 -13.445 1.00 0.00 N ATOM 1216 CA LYS A 76 -7.653 -6.411 -13.186 1.00 0.00 C ATOM 1217 C LYS A 76 -7.630 -7.318 -14.414 1.00 0.00 C ATOM 1218 O LYS A 76 -8.543 -7.290 -15.229 1.00 0.00 O ATOM 1219 CB LYS A 76 -8.286 -7.156 -12.004 1.00 0.00 C ATOM 1220 CG LYS A 76 -9.772 -7.408 -12.195 1.00 0.00 C ATOM 1221 CD LYS A 76 -10.404 -8.133 -11.015 1.00 0.00 C ATOM 1222 CE LYS A 76 -9.872 -9.546 -10.868 1.00 0.00 C ATOM 1223 NZ LYS A 76 -10.851 -10.426 -10.177 1.00 0.00 N ATOM 0 H LYS A 76 -9.409 -5.305 -13.490 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.624 -6.141 -12.947 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.775 -8.109 -11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -8.134 -6.578 -11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.281 -6.456 -12.345 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.923 -7.996 -13.100 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.209 -7.575 -10.099 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.486 -8.164 -11.145 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.645 -9.955 -11.853 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.938 -9.528 -10.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.437 -11.371 -10.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.087 -10.021 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.715 -10.502 -10.751 1.00 0.00 H new ATOM 1237 N SER A 77 -6.575 -8.107 -14.542 1.00 0.00 N ATOM 1238 CA SER A 77 -6.487 -9.113 -15.588 1.00 0.00 C ATOM 1239 C SER A 77 -5.790 -10.358 -15.049 1.00 0.00 C ATOM 1240 O SER A 77 -4.892 -10.259 -14.210 1.00 0.00 O ATOM 1241 CB SER A 77 -5.729 -8.568 -16.804 1.00 0.00 C ATOM 1242 OG SER A 77 -5.695 -9.521 -17.855 1.00 0.00 O ATOM 0 H SER A 77 -5.761 -8.069 -13.928 1.00 0.00 H new ATOM 0 HA SER A 77 -7.497 -9.375 -15.905 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.207 -7.653 -17.154 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.712 -8.305 -16.514 1.00 0.00 H new ATOM 0 HG SER A 77 -6.451 -9.369 -18.459 1.00 0.00 H new ATOM 1248 N THR A 78 -6.215 -11.524 -15.515 1.00 0.00 N ATOM 1249 CA THR A 78 -5.623 -12.782 -15.078 1.00 0.00 C ATOM 1250 C THR A 78 -5.037 -13.553 -16.256 1.00 0.00 C ATOM 1251 O THR A 78 -4.821 -14.764 -16.175 1.00 0.00 O ATOM 1252 CB THR A 78 -6.656 -13.669 -14.357 1.00 0.00 C ATOM 1253 OG1 THR A 78 -7.830 -13.833 -15.166 1.00 0.00 O ATOM 1254 CG2 THR A 78 -7.043 -13.071 -13.014 1.00 0.00 C ATOM 0 H THR A 78 -6.968 -11.626 -16.196 1.00 0.00 H new ATOM 0 HA THR A 78 -4.824 -12.530 -14.381 1.00 0.00 H new ATOM 0 HB THR A 78 -6.198 -14.643 -14.188 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.475 -14.400 -14.695 1.00 0.00 H new ATOM 0 HG21 THR A 78 -7.773 -13.716 -12.525 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.157 -12.985 -12.385 1.00 0.00 H new ATOM 0 HG23 THR A 78 -7.477 -12.083 -13.167 1.00 0.00 H new ATOM 1262 N SER A 79 -4.777 -12.848 -17.346 1.00 0.00 N ATOM 1263 CA SER A 79 -4.245 -13.469 -18.543 1.00 0.00 C ATOM 1264 C SER A 79 -2.721 -13.449 -18.521 1.00 0.00 C ATOM 1265 O SER A 79 -2.110 -12.816 -17.656 1.00 0.00 O ATOM 1266 CB SER A 79 -4.761 -12.727 -19.779 1.00 0.00 C ATOM 1267 OG SER A 79 -6.175 -12.617 -19.759 1.00 0.00 O ATOM 0 H SER A 79 -4.927 -11.842 -17.424 1.00 0.00 H new ATOM 0 HA SER A 79 -4.576 -14.507 -18.580 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.317 -11.732 -19.821 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.447 -13.254 -20.680 1.00 0.00 H new ATOM 0 HG SER A 79 -6.527 -12.759 -20.663 1.00 0.00 H new ATOM 1273 N LYS A 80 -2.115 -14.158 -19.461 1.00 0.00 N ATOM 1274 CA LYS A 80 -0.676 -14.100 -19.658 1.00 0.00 C ATOM 1275 C LYS A 80 -0.383 -12.974 -20.634 1.00 0.00 C ATOM 1276 O LYS A 80 0.702 -12.387 -20.650 1.00 0.00 O ATOM 1277 CB LYS A 80 -0.164 -15.426 -20.224 1.00 0.00 C ATOM 1278 CG LYS A 80 -0.581 -16.644 -19.414 1.00 0.00 C ATOM 1279 CD LYS A 80 -0.289 -17.931 -20.168 1.00 0.00 C ATOM 1280 CE LYS A 80 -0.842 -19.146 -19.440 1.00 0.00 C ATOM 1281 NZ LYS A 80 -0.736 -20.377 -20.268 1.00 0.00 N ATOM 0 H LYS A 80 -2.602 -14.784 -20.103 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.175 -13.921 -18.707 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.528 -15.539 -21.245 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.924 -15.392 -20.276 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.051 -16.649 -18.461 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.645 -16.586 -19.187 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.724 -17.875 -21.166 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.788 -18.042 -20.296 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.300 -19.288 -18.505 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.886 -18.971 -19.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.123 -21.185 -19.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.274 -20.250 -21.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.263 -20.558 -20.495 1.00 0.00 H new ATOM 1295 N GLU A 81 -1.393 -12.685 -21.440 1.00 0.00 N ATOM 1296 CA GLU A 81 -1.326 -11.647 -22.445 1.00 0.00 C ATOM 1297 C GLU A 81 -1.836 -10.339 -21.850 1.00 0.00 C ATOM 1298 O GLU A 81 -2.611 -10.355 -20.894 1.00 0.00 O ATOM 1299 CB GLU A 81 -2.184 -12.028 -23.665 1.00 0.00 C ATOM 1300 CG GLU A 81 -2.144 -13.508 -24.036 1.00 0.00 C ATOM 1301 CD GLU A 81 -3.207 -14.330 -23.317 1.00 0.00 C ATOM 1302 OE1 GLU A 81 -2.999 -14.692 -22.141 1.00 0.00 O ATOM 1303 OE2 GLU A 81 -4.256 -14.627 -23.931 1.00 0.00 O ATOM 0 H GLU A 81 -2.289 -13.172 -21.411 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.292 -11.529 -22.768 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.218 -11.745 -23.468 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.852 -11.443 -24.523 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.279 -13.611 -25.113 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.159 -13.910 -23.799 1.00 0.00 H new ATOM 1310 N PRO A 82 -1.422 -9.190 -22.404 1.00 0.00 N ATOM 1311 CA PRO A 82 -1.893 -7.879 -21.947 1.00 0.00 C ATOM 1312 C PRO A 82 -3.307 -7.561 -22.444 1.00 0.00 C ATOM 1313 O PRO A 82 -3.629 -6.411 -22.750 1.00 0.00 O ATOM 1314 CB PRO A 82 -0.877 -6.917 -22.562 1.00 0.00 C ATOM 1315 CG PRO A 82 -0.417 -7.599 -23.801 1.00 0.00 C ATOM 1316 CD PRO A 82 -0.447 -9.074 -23.507 1.00 0.00 C ATOM 0 HA PRO A 82 -1.959 -7.819 -20.861 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -1.330 -5.951 -22.786 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -0.047 -6.729 -21.881 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.067 -7.357 -24.642 1.00 0.00 H new ATOM 0 HG3 PRO A 82 0.588 -7.277 -24.072 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.758 -9.650 -24.379 1.00 0.00 H new ATOM 0 HD3 PRO A 82 0.535 -9.444 -23.214 1.00 0.00 H new ATOM 1324 N VAL A 83 -4.153 -8.582 -22.496 1.00 0.00 N ATOM 1325 CA VAL A 83 -5.514 -8.433 -22.991 1.00 0.00 C ATOM 1326 C VAL A 83 -6.506 -9.082 -22.034 1.00 0.00 C ATOM 1327 O VAL A 83 -6.106 -9.791 -21.107 1.00 0.00 O ATOM 1328 CB VAL A 83 -5.690 -9.051 -24.398 1.00 0.00 C ATOM 1329 CG1 VAL A 83 -4.803 -8.351 -25.416 1.00 0.00 C ATOM 1330 CG2 VAL A 83 -5.400 -10.544 -24.376 1.00 0.00 C ATOM 0 H VAL A 83 -3.917 -9.529 -22.199 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.710 -7.363 -23.058 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.729 -8.909 -24.696 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.946 -8.805 -26.397 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.067 -7.295 -25.463 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.759 -8.451 -25.119 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -5.531 -10.955 -25.377 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.374 -10.711 -24.046 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.087 -11.038 -23.689 1.00 0.00 H new ATOM 1340 N ASP A 84 -7.793 -8.843 -22.285 1.00 0.00 N ATOM 1341 CA ASP A 84 -8.890 -9.350 -21.453 1.00 0.00 C ATOM 1342 C ASP A 84 -8.847 -8.735 -20.061 1.00 0.00 C ATOM 1343 O ASP A 84 -8.067 -9.149 -19.200 1.00 0.00 O ATOM 1344 CB ASP A 84 -8.879 -10.880 -21.359 1.00 0.00 C ATOM 1345 CG ASP A 84 -10.193 -11.421 -20.830 1.00 0.00 C ATOM 1346 OD1 ASP A 84 -11.149 -11.549 -21.631 1.00 0.00 O ATOM 1347 OD2 ASP A 84 -10.287 -11.716 -19.621 1.00 0.00 O ATOM 0 H ASP A 84 -8.109 -8.287 -23.079 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.820 -9.055 -21.938 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.682 -11.303 -22.344 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.066 -11.198 -20.707 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.684 -7.734 -19.852 1.00 0.00 N ATOM 1353 CA PHE A 85 -9.689 -6.987 -18.606 1.00 0.00 C ATOM 1354 C PHE A 85 -10.988 -7.201 -17.841 1.00 0.00 C ATOM 1355 O PHE A 85 -11.985 -7.660 -18.399 1.00 0.00 O ATOM 1356 CB PHE A 85 -9.486 -5.501 -18.891 1.00 0.00 C ATOM 1357 CG PHE A 85 -8.195 -5.190 -19.599 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -7.002 -5.125 -18.895 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -8.176 -4.960 -20.965 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -5.816 -4.837 -19.543 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -6.992 -4.671 -21.617 1.00 0.00 C ATOM 1362 CZ PHE A 85 -5.810 -4.610 -20.905 1.00 0.00 C ATOM 0 H PHE A 85 -10.373 -7.418 -20.534 1.00 0.00 H new ATOM 0 HA PHE A 85 -8.870 -7.351 -17.986 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -10.318 -5.140 -19.496 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -9.515 -4.953 -17.949 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -7.000 -5.301 -17.829 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -9.097 -5.007 -21.527 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -4.893 -4.789 -18.984 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.991 -4.493 -22.682 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.883 -4.385 -21.412 1.00 0.00 H new ATOM 1372 N GLU A 86 -10.962 -6.876 -16.559 1.00 0.00 N ATOM 1373 CA GLU A 86 -12.112 -7.043 -15.686 1.00 0.00 C ATOM 1374 C GLU A 86 -12.206 -5.867 -14.713 1.00 0.00 C ATOM 1375 O GLU A 86 -11.195 -5.434 -14.155 1.00 0.00 O ATOM 1376 CB GLU A 86 -11.985 -8.367 -14.922 1.00 0.00 C ATOM 1377 CG GLU A 86 -13.174 -8.707 -14.036 1.00 0.00 C ATOM 1378 CD GLU A 86 -13.037 -10.077 -13.400 1.00 0.00 C ATOM 1379 OE1 GLU A 86 -13.242 -11.085 -14.109 1.00 0.00 O ATOM 1380 OE2 GLU A 86 -12.707 -10.161 -12.197 1.00 0.00 O ATOM 0 H GLU A 86 -10.141 -6.488 -16.094 1.00 0.00 H new ATOM 0 HA GLU A 86 -13.023 -7.066 -16.284 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.843 -9.174 -15.641 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -11.088 -8.329 -14.304 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -13.271 -7.953 -13.255 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.089 -8.672 -14.628 1.00 0.00 H new ATOM 1387 N GLN A 87 -13.412 -5.343 -14.532 1.00 0.00 N ATOM 1388 CA GLN A 87 -13.648 -4.248 -13.599 1.00 0.00 C ATOM 1389 C GLN A 87 -13.400 -4.727 -12.172 1.00 0.00 C ATOM 1390 O GLN A 87 -13.848 -5.811 -11.791 1.00 0.00 O ATOM 1391 CB GLN A 87 -15.086 -3.726 -13.768 1.00 0.00 C ATOM 1392 CG GLN A 87 -15.417 -2.477 -12.953 1.00 0.00 C ATOM 1393 CD GLN A 87 -15.745 -2.774 -11.500 1.00 0.00 C ATOM 1394 OE1 GLN A 87 -16.270 -3.836 -11.172 1.00 0.00 O ATOM 1395 NE2 GLN A 87 -15.449 -1.831 -10.622 1.00 0.00 N ATOM 0 H GLN A 87 -14.247 -5.662 -15.023 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.960 -3.429 -13.808 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -15.257 -3.510 -14.823 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -15.780 -4.519 -13.489 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.571 -1.791 -12.994 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -16.264 -1.967 -13.412 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -15.013 -0.963 -10.933 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -15.656 -1.972 -9.633 1.00 0.00 H new ATOM 1404 N TRP A 88 -12.680 -3.935 -11.388 1.00 0.00 N ATOM 1405 CA TRP A 88 -12.379 -4.322 -10.022 1.00 0.00 C ATOM 1406 C TRP A 88 -12.689 -3.190 -9.050 1.00 0.00 C ATOM 1407 O TRP A 88 -13.696 -3.233 -8.338 1.00 0.00 O ATOM 1408 CB TRP A 88 -10.914 -4.746 -9.898 1.00 0.00 C ATOM 1409 CG TRP A 88 -10.615 -5.514 -8.645 1.00 0.00 C ATOM 1410 CD1 TRP A 88 -11.490 -6.277 -7.927 1.00 0.00 C ATOM 1411 CD2 TRP A 88 -9.352 -5.614 -7.974 1.00 0.00 C ATOM 1412 NE1 TRP A 88 -10.855 -6.834 -6.846 1.00 0.00 N ATOM 1413 CE2 TRP A 88 -9.542 -6.446 -6.854 1.00 0.00 C ATOM 1414 CE3 TRP A 88 -8.081 -5.080 -8.208 1.00 0.00 C ATOM 1415 CZ2 TRP A 88 -8.509 -6.754 -5.973 1.00 0.00 C ATOM 1416 CZ3 TRP A 88 -7.057 -5.389 -7.332 1.00 0.00 C ATOM 1417 CH2 TRP A 88 -7.277 -6.221 -6.227 1.00 0.00 C ATOM 0 H TRP A 88 -12.299 -3.033 -11.672 1.00 0.00 H new ATOM 0 HA TRP A 88 -13.012 -5.171 -9.764 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -10.647 -5.356 -10.761 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -10.283 -3.857 -9.929 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -12.531 -6.421 -8.174 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -11.290 -7.439 -6.150 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.902 -4.438 -9.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.676 -7.392 -5.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -6.071 -4.982 -7.503 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.456 -6.446 -5.562 1.00 0.00 H new ATOM 1428 N ILE A 89 -11.839 -2.169 -9.027 1.00 0.00 N ATOM 1429 CA ILE A 89 -11.972 -1.099 -8.046 1.00 0.00 C ATOM 1430 C ILE A 89 -11.693 0.266 -8.661 1.00 0.00 C ATOM 1431 O ILE A 89 -10.557 0.588 -8.987 1.00 0.00 O ATOM 1432 CB ILE A 89 -11.004 -1.310 -6.855 1.00 0.00 C ATOM 1433 CG1 ILE A 89 -11.226 -2.681 -6.214 1.00 0.00 C ATOM 1434 CG2 ILE A 89 -11.178 -0.210 -5.814 1.00 0.00 C ATOM 1435 CD1 ILE A 89 -10.247 -2.998 -5.109 1.00 0.00 C ATOM 0 H ILE A 89 -11.056 -2.060 -9.672 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.003 -1.129 -7.693 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.985 -1.266 -7.239 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.239 -2.726 -5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.153 -3.449 -6.984 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -10.488 -0.379 -4.987 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -10.969 0.758 -6.269 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.202 -0.221 -5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.465 -3.985 -4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.232 -2.986 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.336 -2.252 -4.319 1.00 0.00 H new ATOM 1447 N GLU A 90 -12.731 1.066 -8.827 1.00 0.00 N ATOM 1448 CA GLU A 90 -12.552 2.455 -9.213 1.00 0.00 C ATOM 1449 C GLU A 90 -12.609 3.333 -7.970 1.00 0.00 C ATOM 1450 O GLU A 90 -13.622 3.353 -7.267 1.00 0.00 O ATOM 1451 CB GLU A 90 -13.617 2.915 -10.217 1.00 0.00 C ATOM 1452 CG GLU A 90 -13.424 2.388 -11.633 1.00 0.00 C ATOM 1453 CD GLU A 90 -13.840 0.942 -11.798 1.00 0.00 C ATOM 1454 OE1 GLU A 90 -15.030 0.642 -11.584 1.00 0.00 O ATOM 1455 OE2 GLU A 90 -12.994 0.108 -12.182 1.00 0.00 O ATOM 0 H GLU A 90 -13.702 0.780 -8.701 1.00 0.00 H new ATOM 0 HA GLU A 90 -11.581 2.546 -9.699 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.597 2.601 -9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.623 4.005 -10.247 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.999 3.005 -12.324 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.375 2.491 -11.911 1.00 0.00 H new ATOM 1462 N LYS A 91 -11.523 4.034 -7.683 1.00 0.00 N ATOM 1463 CA LYS A 91 -11.477 4.908 -6.523 1.00 0.00 C ATOM 1464 C LYS A 91 -11.492 6.370 -6.935 1.00 0.00 C ATOM 1465 O LYS A 91 -10.555 6.862 -7.566 1.00 0.00 O ATOM 1466 CB LYS A 91 -10.246 4.626 -5.656 1.00 0.00 C ATOM 1467 CG LYS A 91 -10.365 3.378 -4.795 1.00 0.00 C ATOM 1468 CD LYS A 91 -11.644 3.387 -3.965 1.00 0.00 C ATOM 1469 CE LYS A 91 -11.588 2.376 -2.831 1.00 0.00 C ATOM 1470 NZ LYS A 91 -10.814 2.891 -1.668 1.00 0.00 N ATOM 0 H LYS A 91 -10.666 4.015 -8.235 1.00 0.00 H new ATOM 0 HA LYS A 91 -12.370 4.701 -5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.374 4.526 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.066 5.485 -5.009 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.350 2.493 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.502 3.309 -4.133 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -11.804 4.384 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -12.496 3.166 -4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -12.601 2.130 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.134 1.452 -3.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -10.537 2.097 -1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.961 3.380 -2.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.402 3.556 -1.127 1.00 0.00 H new ATOM 1484 N ASP A 92 -12.576 7.044 -6.597 1.00 0.00 N ATOM 1485 CA ASP A 92 -12.691 8.477 -6.797 1.00 0.00 C ATOM 1486 C ASP A 92 -12.516 9.172 -5.454 1.00 0.00 C ATOM 1487 O ASP A 92 -13.410 9.140 -4.607 1.00 0.00 O ATOM 1488 CB ASP A 92 -14.053 8.815 -7.401 1.00 0.00 C ATOM 1489 CG ASP A 92 -14.172 10.264 -7.814 1.00 0.00 C ATOM 1490 OD1 ASP A 92 -13.770 10.593 -8.948 1.00 0.00 O ATOM 1491 OD2 ASP A 92 -14.703 11.074 -7.023 1.00 0.00 O ATOM 0 H ASP A 92 -13.400 6.614 -6.177 1.00 0.00 H new ATOM 0 HA ASP A 92 -11.920 8.819 -7.488 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.227 8.180 -8.270 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.833 8.584 -6.676 1.00 0.00 H new ATOM 1496 N LEU A 93 -11.355 9.769 -5.248 1.00 0.00 N ATOM 1497 CA LEU A 93 -10.994 10.282 -3.934 1.00 0.00 C ATOM 1498 C LEU A 93 -11.130 11.797 -3.849 1.00 0.00 C ATOM 1499 O LEU A 93 -11.148 12.496 -4.862 1.00 0.00 O ATOM 1500 CB LEU A 93 -9.570 9.832 -3.559 1.00 0.00 C ATOM 1501 CG LEU A 93 -8.492 10.018 -4.639 1.00 0.00 C ATOM 1502 CD1 LEU A 93 -8.053 11.474 -4.743 1.00 0.00 C ATOM 1503 CD2 LEU A 93 -7.295 9.122 -4.354 1.00 0.00 C ATOM 0 H LEU A 93 -10.648 9.911 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 93 -11.696 9.864 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -9.261 10.380 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.605 8.777 -3.288 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.927 9.732 -5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.290 11.570 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.911 12.095 -5.001 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.644 11.800 -3.787 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.541 9.265 -5.128 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.872 9.378 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.614 8.080 -4.347 1.00 0.00 H new ATOM 1515 N VAL A 94 -11.238 12.290 -2.622 1.00 0.00 N ATOM 1516 CA VAL A 94 -11.321 13.718 -2.367 1.00 0.00 C ATOM 1517 C VAL A 94 -9.917 14.301 -2.253 1.00 0.00 C ATOM 1518 O VAL A 94 -9.045 13.702 -1.622 1.00 0.00 O ATOM 1519 CB VAL A 94 -12.113 14.012 -1.071 1.00 0.00 C ATOM 1520 CG1 VAL A 94 -12.256 15.512 -0.844 1.00 0.00 C ATOM 1521 CG2 VAL A 94 -13.480 13.345 -1.116 1.00 0.00 C ATOM 0 H VAL A 94 -11.270 11.713 -1.781 1.00 0.00 H new ATOM 0 HA VAL A 94 -11.848 14.182 -3.201 1.00 0.00 H new ATOM 0 HB VAL A 94 -11.553 13.597 -0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -12.817 15.689 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -11.267 15.963 -0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -12.786 15.958 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -14.022 13.563 -0.196 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -14.043 13.726 -1.968 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.356 12.267 -1.217 1.00 0.00 H new ATOM 1531 N HIS A 95 -9.708 15.460 -2.865 1.00 0.00 N ATOM 1532 CA HIS A 95 -8.392 16.094 -2.909 1.00 0.00 C ATOM 1533 C HIS A 95 -7.885 16.438 -1.509 1.00 0.00 C ATOM 1534 O HIS A 95 -8.358 17.387 -0.882 1.00 0.00 O ATOM 1535 CB HIS A 95 -8.454 17.367 -3.766 1.00 0.00 C ATOM 1536 CG HIS A 95 -7.122 18.024 -4.025 1.00 0.00 C ATOM 1537 ND1 HIS A 95 -6.982 19.124 -4.841 1.00 0.00 N ATOM 1538 CD2 HIS A 95 -5.877 17.741 -3.570 1.00 0.00 C ATOM 1539 CE1 HIS A 95 -5.714 19.489 -4.876 1.00 0.00 C ATOM 1540 NE2 HIS A 95 -5.020 18.666 -4.112 1.00 0.00 N ATOM 0 H HIS A 95 -10.440 15.986 -3.343 1.00 0.00 H new ATOM 0 HA HIS A 95 -7.695 15.384 -3.354 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -8.913 17.121 -4.723 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -9.108 18.087 -3.274 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -5.608 16.935 -2.903 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.312 20.321 -5.435 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -4.014 18.710 -3.951 1.00 0.00 H new ATOM 1548 N THR A 96 -6.927 15.657 -1.030 1.00 0.00 N ATOM 1549 CA THR A 96 -6.222 15.977 0.197 1.00 0.00 C ATOM 1550 C THR A 96 -5.187 17.059 -0.075 1.00 0.00 C ATOM 1551 O THR A 96 -4.345 16.920 -0.962 1.00 0.00 O ATOM 1552 CB THR A 96 -5.523 14.735 0.772 1.00 0.00 C ATOM 1553 OG1 THR A 96 -5.601 13.659 -0.177 1.00 0.00 O ATOM 1554 CG2 THR A 96 -6.153 14.312 2.092 1.00 0.00 C ATOM 0 H THR A 96 -6.621 14.793 -1.478 1.00 0.00 H new ATOM 0 HA THR A 96 -6.950 16.333 0.926 1.00 0.00 H new ATOM 0 HB THR A 96 -4.479 14.982 0.962 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.244 12.990 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.638 13.431 2.475 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.067 15.125 2.813 1.00 0.00 H new ATOM 0 HG23 THR A 96 -7.206 14.077 1.934 1.00 0.00 H new ATOM 1562 N GLU A 97 -5.260 18.141 0.673 1.00 0.00 N ATOM 1563 CA GLU A 97 -4.412 19.291 0.414 1.00 0.00 C ATOM 1564 C GLU A 97 -3.242 19.325 1.389 1.00 0.00 C ATOM 1565 O GLU A 97 -3.440 19.381 2.605 1.00 0.00 O ATOM 1566 CB GLU A 97 -5.229 20.580 0.514 1.00 0.00 C ATOM 1567 CG GLU A 97 -4.537 21.791 -0.090 1.00 0.00 C ATOM 1568 CD GLU A 97 -4.205 21.594 -1.554 1.00 0.00 C ATOM 1569 OE1 GLU A 97 -5.124 21.674 -2.394 1.00 0.00 O ATOM 1570 OE2 GLU A 97 -3.021 21.353 -1.874 1.00 0.00 O ATOM 0 H GLU A 97 -5.895 18.250 1.463 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.012 19.207 -0.596 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -6.186 20.433 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -5.445 20.782 1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -5.178 22.665 0.020 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -3.621 21.996 0.463 1.00 0.00 H new ATOM 1577 N GLY A 98 -2.029 19.268 0.846 1.00 0.00 N ATOM 1578 CA GLY A 98 -0.830 19.317 1.665 1.00 0.00 C ATOM 1579 C GLY A 98 -0.689 18.111 2.571 1.00 0.00 C ATOM 1580 O GLY A 98 -0.071 18.193 3.633 1.00 0.00 O ATOM 0 H GLY A 98 -1.855 19.188 -0.156 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.044 19.384 1.018 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -0.847 20.222 2.272 1.00 0.00 H new ATOM 1584 N GLN A 99 -1.253 16.988 2.149 1.00 0.00 N ATOM 1585 CA GLN A 99 -1.235 15.782 2.955 1.00 0.00 C ATOM 1586 C GLN A 99 -1.224 14.545 2.066 1.00 0.00 C ATOM 1587 O GLN A 99 -1.964 14.471 1.086 1.00 0.00 O ATOM 1588 CB GLN A 99 -2.456 15.752 3.884 1.00 0.00 C ATOM 1589 CG GLN A 99 -2.495 14.551 4.818 1.00 0.00 C ATOM 1590 CD GLN A 99 -1.288 14.491 5.735 1.00 0.00 C ATOM 1591 OE1 GLN A 99 -0.267 13.891 5.396 1.00 0.00 O ATOM 1592 NE2 GLN A 99 -1.394 15.108 6.901 1.00 0.00 N ATOM 0 H GLN A 99 -1.728 16.890 1.252 1.00 0.00 H new ATOM 0 HA GLN A 99 -0.328 15.782 3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.468 16.664 4.481 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.361 15.757 3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.403 14.592 5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -2.545 13.636 4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -2.257 15.594 7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -0.613 15.098 7.556 1.00 0.00 H new ATOM 1601 N LEU A 100 -0.373 13.588 2.408 1.00 0.00 N ATOM 1602 CA LEU A 100 -0.331 12.314 1.709 1.00 0.00 C ATOM 1603 C LEU A 100 -1.395 11.376 2.257 1.00 0.00 C ATOM 1604 O LEU A 100 -1.226 10.783 3.322 1.00 0.00 O ATOM 1605 CB LEU A 100 1.049 11.663 1.843 1.00 0.00 C ATOM 1606 CG LEU A 100 2.161 12.307 1.015 1.00 0.00 C ATOM 1607 CD1 LEU A 100 3.504 11.684 1.359 1.00 0.00 C ATOM 1608 CD2 LEU A 100 1.872 12.151 -0.470 1.00 0.00 C ATOM 0 H LEU A 100 0.300 13.672 3.169 1.00 0.00 H new ATOM 0 HA LEU A 100 -0.527 12.502 0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 100 1.342 11.685 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 100 0.967 10.615 1.557 1.00 0.00 H new ATOM 0 HG LEU A 100 2.200 13.370 1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.286 12.153 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.715 11.836 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.475 10.616 1.145 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.672 12.614 -1.047 1.00 0.00 H new ATOM 0 HD22 LEU A 100 1.811 11.092 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.925 12.635 -0.709 1.00 0.00 H new ATOM 1620 N GLN A 101 -2.503 11.277 1.547 1.00 0.00 N ATOM 1621 CA GLN A 101 -3.564 10.359 1.923 1.00 0.00 C ATOM 1622 C GLN A 101 -3.286 8.983 1.336 1.00 0.00 C ATOM 1623 O GLN A 101 -3.369 8.780 0.124 1.00 0.00 O ATOM 1624 CB GLN A 101 -4.925 10.889 1.458 1.00 0.00 C ATOM 1625 CG GLN A 101 -6.078 9.927 1.694 1.00 0.00 C ATOM 1626 CD GLN A 101 -7.433 10.565 1.453 1.00 0.00 C ATOM 1627 OE1 GLN A 101 -7.564 11.502 0.664 1.00 0.00 O ATOM 1628 NE2 GLN A 101 -8.455 10.052 2.119 1.00 0.00 N ATOM 0 H GLN A 101 -2.693 11.821 0.705 1.00 0.00 H new ATOM 0 HA GLN A 101 -3.593 10.275 3.009 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -5.135 11.825 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -4.869 11.119 0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -5.966 9.064 1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -6.033 9.557 2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -8.306 9.276 2.764 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -9.392 10.433 1.988 1.00 0.00 H new ATOM 1637 N ASN A 102 -2.926 8.049 2.199 1.00 0.00 N ATOM 1638 CA ASN A 102 -2.618 6.697 1.768 1.00 0.00 C ATOM 1639 C ASN A 102 -3.902 5.908 1.586 1.00 0.00 C ATOM 1640 O ASN A 102 -4.744 5.861 2.484 1.00 0.00 O ATOM 1641 CB ASN A 102 -1.712 5.993 2.784 1.00 0.00 C ATOM 1642 CG ASN A 102 -0.364 6.673 2.943 1.00 0.00 C ATOM 1643 OD1 ASN A 102 0.144 7.300 2.015 1.00 0.00 O ATOM 1644 ND2 ASN A 102 0.236 6.537 4.114 1.00 0.00 N ATOM 0 H ASN A 102 -2.840 8.203 3.204 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.089 6.751 0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -2.214 5.962 3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.558 4.960 2.472 1.00 0.00 H new ATOM 0 HD21 ASN A 102 1.151 6.960 4.270 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -0.216 6.009 4.861 1.00 0.00 H new ATOM 1651 N GLU A 103 -4.044 5.285 0.432 1.00 0.00 N ATOM 1652 CA GLU A 103 -5.231 4.508 0.137 1.00 0.00 C ATOM 1653 C GLU A 103 -5.028 3.054 0.524 1.00 0.00 C ATOM 1654 O GLU A 103 -4.444 2.271 -0.226 1.00 0.00 O ATOM 1655 CB GLU A 103 -5.589 4.612 -1.349 1.00 0.00 C ATOM 1656 CG GLU A 103 -6.739 5.566 -1.635 1.00 0.00 C ATOM 1657 CD GLU A 103 -8.078 5.011 -1.186 1.00 0.00 C ATOM 1658 OE1 GLU A 103 -8.305 4.895 0.036 1.00 0.00 O ATOM 1659 OE2 GLU A 103 -8.915 4.686 -2.056 1.00 0.00 O ATOM 0 H GLU A 103 -3.351 5.302 -0.317 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.056 4.913 0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -4.710 4.940 -1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.849 3.621 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -6.554 6.514 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -6.776 5.776 -2.704 1.00 0.00 H new ATOM 1666 N GLU A 104 -5.470 2.720 1.726 1.00 0.00 N ATOM 1667 CA GLU A 104 -5.485 1.343 2.177 1.00 0.00 C ATOM 1668 C GLU A 104 -6.795 0.701 1.762 1.00 0.00 C ATOM 1669 O GLU A 104 -7.825 0.857 2.423 1.00 0.00 O ATOM 1670 CB GLU A 104 -5.299 1.254 3.691 1.00 0.00 C ATOM 1671 CG GLU A 104 -3.949 1.751 4.168 1.00 0.00 C ATOM 1672 CD GLU A 104 -3.731 1.476 5.636 1.00 0.00 C ATOM 1673 OE1 GLU A 104 -3.223 0.386 5.968 1.00 0.00 O ATOM 1674 OE2 GLU A 104 -4.087 2.334 6.466 1.00 0.00 O ATOM 0 H GLU A 104 -5.825 3.390 2.408 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.654 0.810 1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.083 1.833 4.179 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -5.426 0.218 4.004 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.161 1.271 3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -3.872 2.823 3.985 1.00 0.00 H new ATOM 1681 N ILE A 105 -6.748 0.000 0.652 1.00 0.00 N ATOM 1682 CA ILE A 105 -7.939 -0.522 0.012 1.00 0.00 C ATOM 1683 C ILE A 105 -8.118 -1.997 0.334 1.00 0.00 C ATOM 1684 O ILE A 105 -7.239 -2.802 0.055 1.00 0.00 O ATOM 1685 CB ILE A 105 -7.838 -0.342 -1.520 1.00 0.00 C ATOM 1686 CG1 ILE A 105 -7.621 1.133 -1.868 1.00 0.00 C ATOM 1687 CG2 ILE A 105 -9.079 -0.875 -2.215 1.00 0.00 C ATOM 1688 CD1 ILE A 105 -7.421 1.390 -3.347 1.00 0.00 C ATOM 0 H ILE A 105 -5.881 -0.226 0.164 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.800 0.030 0.390 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.982 -0.916 -1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -8.480 1.708 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -6.751 1.501 -1.324 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -8.981 -0.736 -3.292 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -9.191 -1.937 -1.995 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.956 -0.336 -1.858 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -7.274 2.457 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.545 0.844 -3.696 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -8.300 1.055 -3.897 1.00 0.00 H new ATOM 1700 N VAL A 106 -9.241 -2.350 0.943 1.00 0.00 N ATOM 1701 CA VAL A 106 -9.556 -3.754 1.154 1.00 0.00 C ATOM 1702 C VAL A 106 -9.952 -4.384 -0.177 1.00 0.00 C ATOM 1703 O VAL A 106 -11.043 -4.144 -0.701 1.00 0.00 O ATOM 1704 CB VAL A 106 -10.665 -3.961 2.216 1.00 0.00 C ATOM 1705 CG1 VAL A 106 -10.126 -3.665 3.607 1.00 0.00 C ATOM 1706 CG2 VAL A 106 -11.883 -3.091 1.930 1.00 0.00 C ATOM 0 H VAL A 106 -9.939 -1.695 1.295 1.00 0.00 H new ATOM 0 HA VAL A 106 -8.665 -4.246 1.544 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.979 -5.004 2.168 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -10.916 -3.815 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -9.295 -4.336 3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -9.780 -2.632 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -12.640 -3.262 2.695 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -11.590 -2.041 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.291 -3.346 0.952 1.00 0.00 H new ATOM 1716 N ALA A 107 -9.041 -5.160 -0.741 1.00 0.00 N ATOM 1717 CA ALA A 107 -9.200 -5.652 -2.094 1.00 0.00 C ATOM 1718 C ALA A 107 -8.793 -7.110 -2.207 1.00 0.00 C ATOM 1719 O ALA A 107 -7.608 -7.436 -2.230 1.00 0.00 O ATOM 1720 CB ALA A 107 -8.378 -4.800 -3.047 1.00 0.00 C ATOM 0 H ALA A 107 -8.183 -5.462 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.255 -5.583 -2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -8.499 -5.172 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -8.718 -3.766 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -7.326 -4.850 -2.765 1.00 0.00 H new ATOM 1726 N HIS A 108 -9.782 -7.980 -2.272 1.00 0.00 N ATOM 1727 CA HIS A 108 -9.546 -9.406 -2.424 1.00 0.00 C ATOM 1728 C HIS A 108 -9.715 -9.812 -3.877 1.00 0.00 C ATOM 1729 O HIS A 108 -10.825 -9.787 -4.417 1.00 0.00 O ATOM 1730 CB HIS A 108 -10.506 -10.209 -1.549 1.00 0.00 C ATOM 1731 CG HIS A 108 -9.963 -10.544 -0.198 1.00 0.00 C ATOM 1732 ND1 HIS A 108 -10.059 -11.800 0.349 1.00 0.00 N ATOM 1733 CD2 HIS A 108 -9.318 -9.785 0.719 1.00 0.00 C ATOM 1734 CE1 HIS A 108 -9.501 -11.804 1.541 1.00 0.00 C ATOM 1735 NE2 HIS A 108 -9.037 -10.595 1.796 1.00 0.00 N ATOM 0 H HIS A 108 -10.768 -7.722 -2.221 1.00 0.00 H new ATOM 0 HA HIS A 108 -8.525 -9.619 -2.108 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -11.430 -9.643 -1.428 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -10.764 -11.134 -2.065 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -9.070 -8.738 0.623 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -9.434 -12.656 2.201 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -8.552 -10.309 2.647 1.00 0.00 H new ATOM 1743 N GLY A 109 -8.617 -10.157 -4.519 1.00 0.00 N ATOM 1744 CA GLY A 109 -8.678 -10.586 -5.894 1.00 0.00 C ATOM 1745 C GLY A 109 -7.392 -11.223 -6.355 1.00 0.00 C ATOM 1746 O GLY A 109 -6.332 -10.987 -5.776 1.00 0.00 O ATOM 0 H GLY A 109 -7.682 -10.148 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.496 -11.297 -6.014 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.904 -9.730 -6.529 1.00 0.00 H new ATOM 1750 N SER A 110 -7.486 -12.041 -7.389 1.00 0.00 N ATOM 1751 CA SER A 110 -6.316 -12.635 -8.007 1.00 0.00 C ATOM 1752 C SER A 110 -6.086 -11.978 -9.361 1.00 0.00 C ATOM 1753 O SER A 110 -7.031 -11.805 -10.133 1.00 0.00 O ATOM 1754 CB SER A 110 -6.517 -14.140 -8.176 1.00 0.00 C ATOM 1755 OG SER A 110 -7.009 -14.722 -6.980 1.00 0.00 O ATOM 0 H SER A 110 -8.370 -12.310 -7.821 1.00 0.00 H new ATOM 0 HA SER A 110 -5.445 -12.476 -7.372 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.216 -14.328 -8.991 1.00 0.00 H new ATOM 0 HB3 SER A 110 -5.572 -14.609 -8.451 1.00 0.00 H new ATOM 0 HG SER A 110 -7.132 -15.685 -7.111 1.00 0.00 H new ATOM 1761 N ALA A 111 -4.853 -11.588 -9.640 1.00 0.00 N ATOM 1762 CA ALA A 111 -4.543 -10.914 -10.890 1.00 0.00 C ATOM 1763 C ALA A 111 -3.078 -11.084 -11.258 1.00 0.00 C ATOM 1764 O ALA A 111 -2.231 -11.320 -10.396 1.00 0.00 O ATOM 1765 CB ALA A 111 -4.893 -9.435 -10.798 1.00 0.00 C ATOM 0 H ALA A 111 -4.054 -11.726 -9.021 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.145 -11.372 -11.675 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.655 -8.945 -11.742 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.957 -9.325 -10.591 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -4.318 -8.974 -9.995 1.00 0.00 H new ATOM 1771 N THR A 112 -2.800 -10.987 -12.546 1.00 0.00 N ATOM 1772 CA THR A 112 -1.441 -11.011 -13.050 1.00 0.00 C ATOM 1773 C THR A 112 -1.057 -9.633 -13.580 1.00 0.00 C ATOM 1774 O THR A 112 0.077 -9.179 -13.417 1.00 0.00 O ATOM 1775 CB THR A 112 -1.291 -12.060 -14.166 1.00 0.00 C ATOM 1776 OG1 THR A 112 -2.420 -11.990 -15.049 1.00 0.00 O ATOM 1777 CG2 THR A 112 -1.181 -13.462 -13.586 1.00 0.00 C ATOM 0 H THR A 112 -3.511 -10.889 -13.271 1.00 0.00 H new ATOM 0 HA THR A 112 -0.775 -11.280 -12.230 1.00 0.00 H new ATOM 0 HB THR A 112 -0.377 -11.845 -14.719 1.00 0.00 H new ATOM 0 HG1 THR A 112 -2.161 -12.313 -15.937 1.00 0.00 H new ATOM 0 HG21 THR A 112 -1.076 -14.184 -14.396 1.00 0.00 H new ATOM 0 HG22 THR A 112 -0.309 -13.519 -12.934 1.00 0.00 H new ATOM 0 HG23 THR A 112 -2.079 -13.690 -13.012 1.00 0.00 H new ATOM 1785 N TYR A 113 -2.027 -8.973 -14.203 1.00 0.00 N ATOM 1786 CA TYR A 113 -1.842 -7.628 -14.725 1.00 0.00 C ATOM 1787 C TYR A 113 -2.866 -6.684 -14.107 1.00 0.00 C ATOM 1788 O TYR A 113 -4.048 -7.018 -14.013 1.00 0.00 O ATOM 1789 CB TYR A 113 -2.003 -7.607 -16.251 1.00 0.00 C ATOM 1790 CG TYR A 113 -0.923 -8.345 -17.013 1.00 0.00 C ATOM 1791 CD1 TYR A 113 -0.990 -9.720 -17.203 1.00 0.00 C ATOM 1792 CD2 TYR A 113 0.158 -7.660 -17.555 1.00 0.00 C ATOM 1793 CE1 TYR A 113 -0.008 -10.391 -17.907 1.00 0.00 C ATOM 1794 CE2 TYR A 113 1.142 -8.325 -18.262 1.00 0.00 C ATOM 1795 CZ TYR A 113 1.053 -9.690 -18.435 1.00 0.00 C ATOM 1796 OH TYR A 113 2.032 -10.358 -19.138 1.00 0.00 O ATOM 0 H TYR A 113 -2.960 -9.355 -14.359 1.00 0.00 H new ATOM 0 HA TYR A 113 -0.834 -7.303 -14.469 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -2.970 -8.041 -16.506 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -2.021 -6.570 -16.586 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -1.823 -10.273 -16.794 1.00 0.00 H new ATOM 0 HD2 TYR A 113 0.230 -6.591 -17.422 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -0.073 -11.461 -18.042 1.00 0.00 H new ATOM 0 HE2 TYR A 113 1.976 -7.778 -18.677 1.00 0.00 H new ATOM 0 HH TYR A 113 1.621 -11.058 -19.687 1.00 0.00 H new ATOM 1806 N LEU A 114 -2.413 -5.522 -13.672 1.00 0.00 N ATOM 1807 CA LEU A 114 -3.315 -4.480 -13.203 1.00 0.00 C ATOM 1808 C LEU A 114 -3.138 -3.226 -14.044 1.00 0.00 C ATOM 1809 O LEU A 114 -2.031 -2.706 -14.159 1.00 0.00 O ATOM 1810 CB LEU A 114 -3.062 -4.146 -11.728 1.00 0.00 C ATOM 1811 CG LEU A 114 -3.493 -5.212 -10.722 1.00 0.00 C ATOM 1812 CD1 LEU A 114 -3.193 -4.748 -9.305 1.00 0.00 C ATOM 1813 CD2 LEU A 114 -4.973 -5.522 -10.873 1.00 0.00 C ATOM 0 H LEU A 114 -1.424 -5.274 -13.633 1.00 0.00 H new ATOM 0 HA LEU A 114 -4.335 -4.850 -13.301 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -1.997 -3.957 -11.595 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -3.582 -3.218 -11.491 1.00 0.00 H new ATOM 0 HG LEU A 114 -2.929 -6.123 -10.920 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -3.505 -5.516 -8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -2.123 -4.570 -9.199 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -3.736 -3.825 -9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -5.261 -6.283 -10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -5.554 -4.616 -10.699 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -5.167 -5.889 -11.881 1.00 0.00 H new ATOM 1825 N ARG A 115 -4.219 -2.733 -14.619 1.00 0.00 N ATOM 1826 CA ARG A 115 -4.154 -1.529 -15.428 1.00 0.00 C ATOM 1827 C ARG A 115 -4.766 -0.370 -14.669 1.00 0.00 C ATOM 1828 O ARG A 115 -5.984 -0.294 -14.498 1.00 0.00 O ATOM 1829 CB ARG A 115 -4.864 -1.707 -16.779 1.00 0.00 C ATOM 1830 CG ARG A 115 -4.877 -0.430 -17.615 1.00 0.00 C ATOM 1831 CD ARG A 115 -5.241 -0.680 -19.074 1.00 0.00 C ATOM 1832 NE ARG A 115 -6.627 -1.118 -19.260 1.00 0.00 N ATOM 1833 CZ ARG A 115 -7.332 -0.889 -20.373 1.00 0.00 C ATOM 1834 NH1 ARG A 115 -6.845 -0.112 -21.336 1.00 0.00 N ATOM 1835 NH2 ARG A 115 -8.548 -1.393 -20.497 1.00 0.00 N ATOM 0 H ARG A 115 -5.149 -3.145 -14.542 1.00 0.00 H new ATOM 0 HA ARG A 115 -3.104 -1.322 -15.634 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -4.370 -2.499 -17.342 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -5.890 -2.032 -16.605 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -5.589 0.274 -17.184 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -3.895 0.040 -17.566 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -5.077 0.235 -19.644 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -4.571 -1.435 -19.484 1.00 0.00 H new ATOM 0 HE ARG A 115 -7.079 -1.625 -18.499 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -5.925 0.316 -21.230 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -7.391 0.056 -22.181 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -8.946 -1.955 -19.745 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -9.088 -1.220 -21.345 1.00 0.00 H new ATOM 1849 N PHE A 116 -3.907 0.508 -14.187 1.00 0.00 N ATOM 1850 CA PHE A 116 -4.348 1.702 -13.500 1.00 0.00 C ATOM 1851 C PHE A 116 -4.677 2.777 -14.516 1.00 0.00 C ATOM 1852 O PHE A 116 -3.785 3.331 -15.165 1.00 0.00 O ATOM 1853 CB PHE A 116 -3.278 2.201 -12.528 1.00 0.00 C ATOM 1854 CG PHE A 116 -3.049 1.294 -11.350 1.00 0.00 C ATOM 1855 CD1 PHE A 116 -2.144 0.248 -11.426 1.00 0.00 C ATOM 1856 CD2 PHE A 116 -3.734 1.498 -10.163 1.00 0.00 C ATOM 1857 CE1 PHE A 116 -1.928 -0.579 -10.338 1.00 0.00 C ATOM 1858 CE2 PHE A 116 -3.524 0.675 -9.075 1.00 0.00 C ATOM 1859 CZ PHE A 116 -2.620 -0.364 -9.161 1.00 0.00 C ATOM 0 H PHE A 116 -2.894 0.414 -14.260 1.00 0.00 H new ATOM 0 HA PHE A 116 -5.241 1.464 -12.922 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -2.339 2.322 -13.068 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -3.565 3.187 -12.163 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -1.601 0.076 -12.344 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -4.441 2.311 -10.088 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -1.220 -1.391 -10.408 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -4.067 0.844 -8.157 1.00 0.00 H new ATOM 0 HZ PHE A 116 -2.453 -1.008 -8.310 1.00 0.00 H new ATOM 1869 N ILE A 117 -5.961 3.032 -14.678 1.00 0.00 N ATOM 1870 CA ILE A 117 -6.428 4.045 -15.601 1.00 0.00 C ATOM 1871 C ILE A 117 -6.794 5.309 -14.842 1.00 0.00 C ATOM 1872 O ILE A 117 -7.839 5.376 -14.189 1.00 0.00 O ATOM 1873 CB ILE A 117 -7.657 3.563 -16.405 1.00 0.00 C ATOM 1874 CG1 ILE A 117 -7.357 2.226 -17.090 1.00 0.00 C ATOM 1875 CG2 ILE A 117 -8.063 4.611 -17.434 1.00 0.00 C ATOM 1876 CD1 ILE A 117 -8.548 1.628 -17.809 1.00 0.00 C ATOM 0 H ILE A 117 -6.704 2.546 -14.177 1.00 0.00 H new ATOM 0 HA ILE A 117 -5.618 4.249 -16.301 1.00 0.00 H new ATOM 0 HB ILE A 117 -8.488 3.418 -15.714 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -6.547 2.368 -17.805 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -7.002 1.517 -16.342 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -8.930 4.257 -17.992 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -8.315 5.542 -16.926 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -7.235 4.785 -18.122 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -8.259 0.683 -18.269 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -9.353 1.453 -17.096 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -8.891 2.317 -18.581 1.00 0.00 H new ATOM 1888 N ILE A 118 -5.917 6.295 -14.897 1.00 0.00 N ATOM 1889 CA ILE A 118 -6.191 7.577 -14.285 1.00 0.00 C ATOM 1890 C ILE A 118 -7.049 8.398 -15.234 1.00 0.00 C ATOM 1891 O ILE A 118 -6.537 9.038 -16.154 1.00 0.00 O ATOM 1892 CB ILE A 118 -4.897 8.350 -13.947 1.00 0.00 C ATOM 1893 CG1 ILE A 118 -3.930 7.454 -13.167 1.00 0.00 C ATOM 1894 CG2 ILE A 118 -5.226 9.601 -13.142 1.00 0.00 C ATOM 1895 CD1 ILE A 118 -2.605 8.117 -12.846 1.00 0.00 C ATOM 0 H ILE A 118 -5.010 6.230 -15.360 1.00 0.00 H new ATOM 0 HA ILE A 118 -6.716 7.402 -13.346 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.417 8.651 -14.878 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.406 7.145 -12.236 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.742 6.549 -13.744 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -4.306 10.137 -12.910 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -5.884 10.246 -13.724 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.724 9.317 -12.215 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -1.974 7.421 -12.293 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -2.106 8.401 -13.773 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -2.780 9.007 -12.241 1.00 0.00 H new ATOM 1907 N VAL A 119 -8.357 8.331 -15.028 1.00 0.00 N ATOM 1908 CA VAL A 119 -9.312 8.975 -15.917 1.00 0.00 C ATOM 1909 C VAL A 119 -9.138 10.486 -15.892 1.00 0.00 C ATOM 1910 O VAL A 119 -9.148 11.147 -16.933 1.00 0.00 O ATOM 1911 CB VAL A 119 -10.764 8.616 -15.529 1.00 0.00 C ATOM 1912 CG1 VAL A 119 -11.756 9.218 -16.516 1.00 0.00 C ATOM 1913 CG2 VAL A 119 -10.936 7.104 -15.449 1.00 0.00 C ATOM 0 H VAL A 119 -8.783 7.833 -14.246 1.00 0.00 H new ATOM 0 HA VAL A 119 -9.118 8.610 -16.925 1.00 0.00 H new ATOM 0 HB VAL A 119 -10.968 9.040 -14.546 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -12.771 8.951 -16.221 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -11.653 10.303 -16.519 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -11.555 8.831 -17.515 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -11.964 6.869 -15.175 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -10.708 6.660 -16.418 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -10.258 6.700 -14.697 1.00 0.00 H new ATOM 1923 N SER A 120 -8.960 11.028 -14.699 1.00 0.00 N ATOM 1924 CA SER A 120 -8.783 12.456 -14.539 1.00 0.00 C ATOM 1925 C SER A 120 -8.065 12.750 -13.230 1.00 0.00 C ATOM 1926 O SER A 120 -8.087 11.933 -12.304 1.00 0.00 O ATOM 1927 CB SER A 120 -10.141 13.163 -14.574 1.00 0.00 C ATOM 1928 OG SER A 120 -9.985 14.556 -14.786 1.00 0.00 O ATOM 0 H SER A 120 -8.935 10.498 -13.828 1.00 0.00 H new ATOM 0 HA SER A 120 -8.175 12.831 -15.362 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.756 12.738 -15.367 1.00 0.00 H new ATOM 0 HB3 SER A 120 -10.668 12.991 -13.636 1.00 0.00 H new ATOM 0 HG SER A 120 -10.866 14.985 -14.806 1.00 0.00 H new ATOM 1934 N ALA A 121 -7.430 13.911 -13.160 1.00 0.00 N ATOM 1935 CA ALA A 121 -6.719 14.331 -11.966 1.00 0.00 C ATOM 1936 C ALA A 121 -6.996 15.800 -11.683 1.00 0.00 C ATOM 1937 O ALA A 121 -7.412 16.538 -12.576 1.00 0.00 O ATOM 1938 CB ALA A 121 -5.225 14.089 -12.123 1.00 0.00 C ATOM 0 H ALA A 121 -7.394 14.584 -13.926 1.00 0.00 H new ATOM 0 HA ALA A 121 -7.073 13.740 -11.121 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.707 14.410 -11.219 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.044 13.027 -12.288 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.852 14.657 -12.975 1.00 0.00 H new ATOM 1944 N PHE A 122 -6.784 16.214 -10.441 1.00 0.00 N ATOM 1945 CA PHE A 122 -6.998 17.602 -10.050 1.00 0.00 C ATOM 1946 C PHE A 122 -5.937 18.517 -10.655 1.00 0.00 C ATOM 1947 O PHE A 122 -6.149 19.722 -10.786 1.00 0.00 O ATOM 1948 CB PHE A 122 -6.995 17.741 -8.525 1.00 0.00 C ATOM 1949 CG PHE A 122 -8.097 16.975 -7.844 1.00 0.00 C ATOM 1950 CD1 PHE A 122 -9.422 17.340 -8.016 1.00 0.00 C ATOM 1951 CD2 PHE A 122 -7.806 15.896 -7.026 1.00 0.00 C ATOM 1952 CE1 PHE A 122 -10.434 16.642 -7.388 1.00 0.00 C ATOM 1953 CE2 PHE A 122 -8.816 15.194 -6.396 1.00 0.00 C ATOM 1954 CZ PHE A 122 -10.131 15.568 -6.578 1.00 0.00 C ATOM 0 H PHE A 122 -6.464 15.608 -9.686 1.00 0.00 H new ATOM 0 HA PHE A 122 -7.973 17.904 -10.433 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -6.035 17.398 -8.140 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -7.084 18.796 -8.265 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -9.666 18.180 -8.649 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -6.778 15.600 -6.879 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -11.463 16.937 -7.531 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -8.576 14.353 -5.762 1.00 0.00 H new ATOM 0 HZ PHE A 122 -10.922 15.021 -6.087 1.00 0.00 H new ATOM 1964 N ASP A 123 -4.803 17.946 -11.036 1.00 0.00 N ATOM 1965 CA ASP A 123 -3.711 18.724 -11.605 1.00 0.00 C ATOM 1966 C ASP A 123 -3.224 18.067 -12.891 1.00 0.00 C ATOM 1967 O ASP A 123 -3.841 17.120 -13.378 1.00 0.00 O ATOM 1968 CB ASP A 123 -2.564 18.856 -10.597 1.00 0.00 C ATOM 1969 CG ASP A 123 -1.690 20.067 -10.868 1.00 0.00 C ATOM 1970 OD1 ASP A 123 -0.781 19.975 -11.719 1.00 0.00 O ATOM 1971 OD2 ASP A 123 -1.927 21.123 -10.245 1.00 0.00 O ATOM 0 H ASP A 123 -4.615 16.946 -10.961 1.00 0.00 H new ATOM 0 HA ASP A 123 -4.073 19.725 -11.838 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -2.976 18.927 -9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -1.951 17.955 -10.628 1.00 0.00 H new ATOM 1976 N HIS A 124 -2.130 18.575 -13.440 1.00 0.00 N ATOM 1977 CA HIS A 124 -1.587 18.064 -14.692 1.00 0.00 C ATOM 1978 C HIS A 124 -0.691 16.869 -14.428 1.00 0.00 C ATOM 1979 O HIS A 124 -0.506 16.009 -15.292 1.00 0.00 O ATOM 1980 CB HIS A 124 -0.790 19.148 -15.424 1.00 0.00 C ATOM 1981 CG HIS A 124 -1.587 20.376 -15.729 1.00 0.00 C ATOM 1982 ND1 HIS A 124 -2.474 20.455 -16.779 1.00 0.00 N ATOM 1983 CD2 HIS A 124 -1.640 21.576 -15.104 1.00 0.00 C ATOM 1984 CE1 HIS A 124 -3.036 21.648 -16.788 1.00 0.00 C ATOM 1985 NE2 HIS A 124 -2.548 22.347 -15.783 1.00 0.00 N ATOM 0 H HIS A 124 -1.598 19.345 -13.036 1.00 0.00 H new ATOM 0 HA HIS A 124 -2.423 17.758 -15.321 1.00 0.00 H new ATOM 0 HB2 HIS A 124 0.071 19.426 -14.817 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -0.403 18.736 -16.356 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -1.073 21.871 -14.233 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.772 21.994 -17.499 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -2.804 23.306 -15.548 1.00 0.00 H new ATOM 1993 N PHE A 125 -0.127 16.817 -13.233 1.00 0.00 N ATOM 1994 CA PHE A 125 0.737 15.717 -12.868 1.00 0.00 C ATOM 1995 C PHE A 125 0.174 14.954 -11.675 1.00 0.00 C ATOM 1996 O PHE A 125 -0.099 15.524 -10.618 1.00 0.00 O ATOM 1997 CB PHE A 125 2.172 16.202 -12.596 1.00 0.00 C ATOM 1998 CG PHE A 125 2.313 17.178 -11.459 1.00 0.00 C ATOM 1999 CD1 PHE A 125 2.078 18.531 -11.653 1.00 0.00 C ATOM 2000 CD2 PHE A 125 2.693 16.745 -10.197 1.00 0.00 C ATOM 2001 CE1 PHE A 125 2.216 19.428 -10.612 1.00 0.00 C ATOM 2002 CE2 PHE A 125 2.832 17.640 -9.153 1.00 0.00 C ATOM 2003 CZ PHE A 125 2.592 18.982 -9.361 1.00 0.00 C ATOM 0 H PHE A 125 -0.253 17.521 -12.506 1.00 0.00 H new ATOM 0 HA PHE A 125 0.778 15.030 -13.713 1.00 0.00 H new ATOM 0 HB2 PHE A 125 2.799 15.335 -12.389 1.00 0.00 H new ATOM 0 HB3 PHE A 125 2.560 16.666 -13.503 1.00 0.00 H new ATOM 0 HD1 PHE A 125 1.784 18.887 -12.629 1.00 0.00 H new ATOM 0 HD2 PHE A 125 2.883 15.695 -10.028 1.00 0.00 H new ATOM 0 HE1 PHE A 125 2.030 20.479 -10.777 1.00 0.00 H new ATOM 0 HE2 PHE A 125 3.128 17.289 -8.176 1.00 0.00 H new ATOM 0 HZ PHE A 125 2.698 19.683 -8.546 1.00 0.00 H new ATOM 2013 N ALA A 126 -0.041 13.670 -11.878 1.00 0.00 N ATOM 2014 CA ALA A 126 -0.433 12.781 -10.806 1.00 0.00 C ATOM 2015 C ALA A 126 0.766 11.952 -10.384 1.00 0.00 C ATOM 2016 O ALA A 126 1.240 11.105 -11.139 1.00 0.00 O ATOM 2017 CB ALA A 126 -1.585 11.886 -11.244 1.00 0.00 C ATOM 0 H ALA A 126 0.051 13.216 -12.787 1.00 0.00 H new ATOM 0 HA ALA A 126 -0.778 13.369 -9.956 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -1.865 11.225 -10.424 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -2.440 12.503 -11.521 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -1.276 11.289 -12.102 1.00 0.00 H new ATOM 2023 N SER A 127 1.267 12.212 -9.192 1.00 0.00 N ATOM 2024 CA SER A 127 2.481 11.566 -8.733 1.00 0.00 C ATOM 2025 C SER A 127 2.167 10.484 -7.708 1.00 0.00 C ATOM 2026 O SER A 127 1.574 10.752 -6.662 1.00 0.00 O ATOM 2027 CB SER A 127 3.426 12.606 -8.135 1.00 0.00 C ATOM 2028 OG SER A 127 3.653 13.670 -9.046 1.00 0.00 O ATOM 0 H SER A 127 0.854 12.864 -8.526 1.00 0.00 H new ATOM 0 HA SER A 127 2.966 11.091 -9.586 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.003 12.998 -7.210 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.374 12.135 -7.877 1.00 0.00 H new ATOM 0 HG SER A 127 4.260 14.324 -8.640 1.00 0.00 H new ATOM 2034 N VAL A 128 2.552 9.262 -8.027 1.00 0.00 N ATOM 2035 CA VAL A 128 2.373 8.143 -7.122 1.00 0.00 C ATOM 2036 C VAL A 128 3.719 7.795 -6.484 1.00 0.00 C ATOM 2037 O VAL A 128 4.727 7.648 -7.175 1.00 0.00 O ATOM 2038 CB VAL A 128 1.759 6.925 -7.862 1.00 0.00 C ATOM 2039 CG1 VAL A 128 2.646 6.466 -9.007 1.00 0.00 C ATOM 2040 CG2 VAL A 128 1.473 5.777 -6.906 1.00 0.00 C ATOM 0 H VAL A 128 2.994 9.019 -8.913 1.00 0.00 H new ATOM 0 HA VAL A 128 1.673 8.420 -6.334 1.00 0.00 H new ATOM 0 HB VAL A 128 0.809 7.252 -8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 128 2.186 5.612 -9.504 1.00 0.00 H new ATOM 0 HG12 VAL A 128 2.767 7.280 -9.722 1.00 0.00 H new ATOM 0 HG13 VAL A 128 3.622 6.177 -8.618 1.00 0.00 H new ATOM 0 HG21 VAL A 128 1.044 4.941 -7.459 1.00 0.00 H new ATOM 0 HG22 VAL A 128 2.401 5.459 -6.431 1.00 0.00 H new ATOM 0 HG23 VAL A 128 0.769 6.107 -6.142 1.00 0.00 H new ATOM 2050 N HIS A 129 3.742 7.713 -5.160 1.00 0.00 N ATOM 2051 CA HIS A 129 4.994 7.516 -4.435 1.00 0.00 C ATOM 2052 C HIS A 129 5.347 6.037 -4.382 1.00 0.00 C ATOM 2053 O HIS A 129 6.495 5.655 -4.610 1.00 0.00 O ATOM 2054 CB HIS A 129 4.893 8.092 -3.016 1.00 0.00 C ATOM 2055 CG HIS A 129 6.225 8.315 -2.357 1.00 0.00 C ATOM 2056 ND1 HIS A 129 6.419 8.254 -0.993 1.00 0.00 N ATOM 2057 CD2 HIS A 129 7.428 8.642 -2.887 1.00 0.00 C ATOM 2058 CE1 HIS A 129 7.680 8.534 -0.717 1.00 0.00 C ATOM 2059 NE2 HIS A 129 8.314 8.775 -1.848 1.00 0.00 N ATOM 0 H HIS A 129 2.914 7.779 -4.568 1.00 0.00 H new ATOM 0 HA HIS A 129 5.786 8.045 -4.965 1.00 0.00 H new ATOM 0 HB2 HIS A 129 4.354 9.039 -3.055 1.00 0.00 H new ATOM 0 HB3 HIS A 129 4.302 7.414 -2.400 1.00 0.00 H new ATOM 0 HD2 HIS A 129 7.649 8.774 -3.936 1.00 0.00 H new ATOM 0 HE1 HIS A 129 8.118 8.561 0.270 1.00 0.00 H new ATOM 0 HE2 HIS A 129 9.300 9.020 -1.936 1.00 0.00 H new ATOM 2067 N SER A 130 4.356 5.212 -4.079 1.00 0.00 N ATOM 2068 CA SER A 130 4.544 3.775 -4.057 1.00 0.00 C ATOM 2069 C SER A 130 3.200 3.069 -4.138 1.00 0.00 C ATOM 2070 O SER A 130 2.178 3.598 -3.687 1.00 0.00 O ATOM 2071 CB SER A 130 5.293 3.345 -2.788 1.00 0.00 C ATOM 2072 OG SER A 130 4.556 3.661 -1.617 1.00 0.00 O ATOM 0 H SER A 130 3.411 5.518 -3.845 1.00 0.00 H new ATOM 0 HA SER A 130 5.144 3.493 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 130 5.482 2.272 -2.822 1.00 0.00 H new ATOM 0 HB3 SER A 130 6.264 3.839 -2.752 1.00 0.00 H new ATOM 0 HG SER A 130 4.680 4.608 -1.398 1.00 0.00 H new ATOM 2078 N VAL A 131 3.202 1.895 -4.747 1.00 0.00 N ATOM 2079 CA VAL A 131 2.023 1.049 -4.810 1.00 0.00 C ATOM 2080 C VAL A 131 2.388 -0.367 -4.398 1.00 0.00 C ATOM 2081 O VAL A 131 3.420 -0.894 -4.813 1.00 0.00 O ATOM 2082 CB VAL A 131 1.391 1.024 -6.222 1.00 0.00 C ATOM 2083 CG1 VAL A 131 0.697 2.340 -6.528 1.00 0.00 C ATOM 2084 CG2 VAL A 131 2.441 0.721 -7.284 1.00 0.00 C ATOM 0 H VAL A 131 4.021 1.502 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 131 1.286 1.468 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 131 0.646 0.229 -6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 131 0.261 2.298 -7.526 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -0.090 2.515 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 131 1.422 3.153 -6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 131 1.971 0.709 -8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.214 1.489 -7.261 1.00 0.00 H new ATOM 0 HG23 VAL A 131 2.890 -0.252 -7.085 1.00 0.00 H new ATOM 2094 N SER A 132 1.569 -0.972 -3.563 1.00 0.00 N ATOM 2095 CA SER A 132 1.823 -2.328 -3.126 1.00 0.00 C ATOM 2096 C SER A 132 0.535 -3.127 -3.024 1.00 0.00 C ATOM 2097 O SER A 132 -0.487 -2.623 -2.557 1.00 0.00 O ATOM 2098 CB SER A 132 2.545 -2.321 -1.779 1.00 0.00 C ATOM 2099 OG SER A 132 1.806 -1.603 -0.806 1.00 0.00 O ATOM 0 H SER A 132 0.726 -0.549 -3.175 1.00 0.00 H new ATOM 0 HA SER A 132 2.458 -2.807 -3.871 1.00 0.00 H new ATOM 0 HB2 SER A 132 2.698 -3.346 -1.440 1.00 0.00 H new ATOM 0 HB3 SER A 132 3.532 -1.872 -1.894 1.00 0.00 H new ATOM 0 HG SER A 132 1.242 -2.224 -0.300 1.00 0.00 H new ATOM 2105 N ALA A 133 0.585 -4.364 -3.485 1.00 0.00 N ATOM 2106 CA ALA A 133 -0.512 -5.283 -3.292 1.00 0.00 C ATOM 2107 C ALA A 133 -0.115 -6.276 -2.224 1.00 0.00 C ATOM 2108 O ALA A 133 0.682 -7.175 -2.474 1.00 0.00 O ATOM 2109 CB ALA A 133 -0.866 -5.992 -4.589 1.00 0.00 C ATOM 0 H ALA A 133 1.378 -4.752 -3.996 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.400 -4.735 -2.977 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -1.695 -6.678 -4.414 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -1.156 -5.256 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -0.001 -6.552 -4.945 1.00 0.00 H new ATOM 2115 N GLU A 134 -0.632 -6.091 -1.029 1.00 0.00 N ATOM 2116 CA GLU A 134 -0.215 -6.903 0.093 1.00 0.00 C ATOM 2117 C GLU A 134 -1.146 -8.084 0.273 1.00 0.00 C ATOM 2118 O GLU A 134 -2.366 -7.929 0.367 1.00 0.00 O ATOM 2119 CB GLU A 134 -0.124 -6.055 1.364 1.00 0.00 C ATOM 2120 CG GLU A 134 1.006 -5.033 1.304 1.00 0.00 C ATOM 2121 CD GLU A 134 1.146 -4.216 2.572 1.00 0.00 C ATOM 2122 OE1 GLU A 134 0.967 -4.776 3.671 1.00 0.00 O ATOM 2123 OE2 GLU A 134 1.445 -3.007 2.475 1.00 0.00 O ATOM 0 H GLU A 134 -1.339 -5.389 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 134 0.780 -7.299 -0.112 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -1.070 -5.537 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 134 0.027 -6.709 2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 134 1.945 -5.551 1.109 1.00 0.00 H new ATOM 0 HG3 GLU A 134 0.833 -4.360 0.464 1.00 0.00 H new ATOM 2130 N GLY A 135 -0.554 -9.264 0.288 1.00 0.00 N ATOM 2131 CA GLY A 135 -1.311 -10.486 0.374 1.00 0.00 C ATOM 2132 C GLY A 135 -0.394 -11.681 0.403 1.00 0.00 C ATOM 2133 O GLY A 135 0.536 -11.729 1.206 1.00 0.00 O ATOM 0 H GLY A 135 0.456 -9.396 0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -1.929 -10.474 1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -1.987 -10.561 -0.478 1.00 0.00 H new ATOM 2137 N THR A 136 -0.616 -12.627 -0.491 1.00 0.00 N ATOM 2138 CA THR A 136 0.190 -13.836 -0.516 1.00 0.00 C ATOM 2139 C THR A 136 0.383 -14.362 -1.933 1.00 0.00 C ATOM 2140 O THR A 136 -0.474 -14.176 -2.800 1.00 0.00 O ATOM 2141 CB THR A 136 -0.439 -14.932 0.363 1.00 0.00 C ATOM 2142 OG1 THR A 136 -1.862 -14.755 0.422 1.00 0.00 O ATOM 2143 CG2 THR A 136 0.142 -14.896 1.764 1.00 0.00 C ATOM 0 H THR A 136 -1.343 -12.584 -1.206 1.00 0.00 H new ATOM 0 HA THR A 136 1.169 -13.572 -0.116 1.00 0.00 H new ATOM 0 HB THR A 136 -0.213 -15.902 -0.081 1.00 0.00 H new ATOM 0 HG1 THR A 136 -2.256 -15.457 0.981 1.00 0.00 H new ATOM 0 HG21 THR A 136 -0.317 -15.679 2.368 1.00 0.00 H new ATOM 0 HG22 THR A 136 1.219 -15.059 1.716 1.00 0.00 H new ATOM 0 HG23 THR A 136 -0.058 -13.925 2.216 1.00 0.00 H new ATOM 2151 N VAL A 137 1.519 -15.010 -2.159 1.00 0.00 N ATOM 2152 CA VAL A 137 1.826 -15.591 -3.456 1.00 0.00 C ATOM 2153 C VAL A 137 1.293 -17.013 -3.552 1.00 0.00 C ATOM 2154 O VAL A 137 1.240 -17.742 -2.559 1.00 0.00 O ATOM 2155 CB VAL A 137 3.347 -15.602 -3.732 1.00 0.00 C ATOM 2156 CG1 VAL A 137 3.883 -14.187 -3.856 1.00 0.00 C ATOM 2157 CG2 VAL A 137 4.096 -16.361 -2.644 1.00 0.00 C ATOM 0 H VAL A 137 2.245 -15.146 -1.456 1.00 0.00 H new ATOM 0 HA VAL A 137 1.339 -14.967 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 137 3.510 -16.117 -4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 137 4.955 -14.220 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 137 3.381 -13.678 -4.679 1.00 0.00 H new ATOM 0 HG13 VAL A 137 3.699 -13.645 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 137 5.164 -16.353 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 137 3.920 -15.883 -1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 137 3.741 -17.391 -2.609 1.00 0.00 H new ATOM 2167 N VAL A 138 0.874 -17.389 -4.746 1.00 0.00 N ATOM 2168 CA VAL A 138 0.431 -18.751 -5.014 1.00 0.00 C ATOM 2169 C VAL A 138 1.461 -19.461 -5.886 1.00 0.00 C ATOM 2170 O VAL A 138 1.687 -20.665 -5.768 1.00 0.00 O ATOM 2171 CB VAL A 138 -0.943 -18.761 -5.725 1.00 0.00 C ATOM 2172 CG1 VAL A 138 -1.459 -20.182 -5.895 1.00 0.00 C ATOM 2173 CG2 VAL A 138 -1.953 -17.911 -4.962 1.00 0.00 C ATOM 0 H VAL A 138 0.830 -16.767 -5.553 1.00 0.00 H new ATOM 0 HA VAL A 138 0.328 -19.271 -4.062 1.00 0.00 H new ATOM 0 HB VAL A 138 -0.810 -18.328 -6.717 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -2.426 -20.160 -6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -0.752 -20.757 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -1.569 -20.649 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -2.912 -17.933 -5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -2.076 -18.309 -3.955 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -1.594 -16.883 -4.905 1.00 0.00 H new ATOM 2183 N SER A 139 2.098 -18.685 -6.746 1.00 0.00 N ATOM 2184 CA SER A 139 3.083 -19.198 -7.681 1.00 0.00 C ATOM 2185 C SER A 139 4.012 -18.068 -8.113 1.00 0.00 C ATOM 2186 O SER A 139 3.554 -16.967 -8.412 1.00 0.00 O ATOM 2187 CB SER A 139 2.366 -19.818 -8.888 1.00 0.00 C ATOM 2188 OG SER A 139 3.224 -19.938 -10.011 1.00 0.00 O ATOM 0 H SER A 139 1.946 -17.679 -6.815 1.00 0.00 H new ATOM 0 HA SER A 139 3.685 -19.972 -7.204 1.00 0.00 H new ATOM 0 HB2 SER A 139 1.984 -20.802 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 139 1.505 -19.204 -9.153 1.00 0.00 H new ATOM 0 HG SER A 139 2.843 -19.445 -10.768 1.00 0.00 H new