USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 782 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 Single : X 3 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.28) USER MOD Single : X 6 SER OG : rot 180:sc= -0.411 USER MOD Single : X 7 GLN : amide:sc=-0.00967 K(o=-0.0097,f=-1.3) USER MOD Single : X 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : X 16 LYS NZ :NH3+ 175:sc= -3.13 (180deg=-3.45!) USER MOD Single : X 17 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : X 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 21 THR OG1 : rot -2:sc= 0.263 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= 0 USER MOD Single : X 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 39 LYS NZ :NH3+ -160:sc= 1.6 (180deg=0.984) USER MOD Single : X 41 THR OG1 : rot 180:sc= -0.263 USER MOD Single : X 42 CYS SG : rot 180:sc= -2! USER MOD Single : X 47 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : X 50 THR OG1 : rot 180:sc= 0 USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 72:sc= 0.622 USER MOD Single : X 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -1.92! C(o=-1.9!,f=-3.4!) USER MOD Single : X 69 THR OG1 : rot 69:sc= 1.28 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.046 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= 0 USER MOD Single : X 84 ASN : amide:sc= -1.43! C(o=-1.4!,f=-4.3!) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 27 N GLN X 3 70.994 -10.422 -0.105 1.00 1.00 N ATOM 28 CA GLN X 3 71.870 -11.602 -0.353 1.00 1.00 C ATOM 29 C GLN X 3 71.938 -12.462 0.909 1.00 1.00 C ATOM 30 O GLN X 3 71.692 -11.996 2.003 1.00 1.00 O ATOM 31 CB GLN X 3 73.277 -11.122 -0.719 1.00 1.00 C ATOM 32 CG GLN X 3 73.220 -10.296 -2.007 1.00 1.00 C ATOM 33 CD GLN X 3 72.758 -11.180 -3.166 1.00 1.00 C ATOM 34 OE1 GLN X 3 73.328 -12.225 -3.412 1.00 1.00 O ATOM 35 NE2 GLN X 3 71.741 -10.805 -3.893 1.00 1.00 N ATOM 0 HA GLN X 3 71.461 -12.193 -1.173 1.00 1.00 H new ATOM 0 HB2 GLN X 3 73.690 -10.522 0.092 1.00 1.00 H new ATOM 0 HB3 GLN X 3 73.940 -11.977 -0.852 1.00 1.00 H new ATOM 0 HG2 GLN X 3 72.536 -9.457 -1.882 1.00 1.00 H new ATOM 0 HG3 GLN X 3 74.202 -9.877 -2.226 1.00 1.00 H new ATOM 0 HE21 GLN X 3 71.262 -9.928 -3.687 1.00 1.00 H new ATOM 0 HE22 GLN X 3 71.425 -11.389 -4.667 1.00 1.00 H new ATOM 44 N GLU X 4 72.269 -13.717 0.765 1.00 1.00 N ATOM 45 CA GLU X 4 72.348 -14.606 1.957 1.00 1.00 C ATOM 46 C GLU X 4 73.322 -14.008 2.974 1.00 1.00 C ATOM 47 O GLU X 4 74.430 -13.636 2.644 1.00 1.00 O ATOM 48 CB GLU X 4 72.848 -15.988 1.530 1.00 1.00 C ATOM 49 CG GLU X 4 71.790 -16.665 0.655 1.00 1.00 C ATOM 50 CD GLU X 4 72.309 -18.027 0.186 1.00 1.00 C ATOM 51 OE1 GLU X 4 73.425 -18.368 0.542 1.00 1.00 O ATOM 52 OE2 GLU X 4 71.580 -18.705 -0.519 1.00 1.00 O ATOM 0 H GLU X 4 72.488 -14.163 -0.126 1.00 1.00 H new ATOM 0 HA GLU X 4 71.360 -14.698 2.407 1.00 1.00 H new ATOM 0 HB2 GLU X 4 73.784 -15.894 0.980 1.00 1.00 H new ATOM 0 HB3 GLU X 4 73.054 -16.599 2.408 1.00 1.00 H new ATOM 0 HG2 GLU X 4 70.864 -16.791 1.217 1.00 1.00 H new ATOM 0 HG3 GLU X 4 71.558 -16.037 -0.205 1.00 1.00 H new ATOM 59 N LEU X 5 72.917 -13.916 4.211 1.00 1.00 N ATOM 60 CA LEU X 5 73.821 -13.346 5.249 1.00 1.00 C ATOM 61 C LEU X 5 74.620 -14.469 5.910 1.00 1.00 C ATOM 62 O LEU X 5 74.110 -15.212 6.723 1.00 1.00 O ATOM 63 CB LEU X 5 72.986 -12.624 6.313 1.00 1.00 C ATOM 64 CG LEU X 5 72.473 -11.296 5.748 1.00 1.00 C ATOM 65 CD1 LEU X 5 71.460 -10.682 6.717 1.00 1.00 C ATOM 66 CD2 LEU X 5 73.648 -10.327 5.557 1.00 1.00 C ATOM 0 H LEU X 5 72.000 -14.211 4.547 1.00 1.00 H new ATOM 0 HA LEU X 5 74.507 -12.641 4.780 1.00 1.00 H new ATOM 0 HB2 LEU X 5 72.147 -13.250 6.618 1.00 1.00 H new ATOM 0 HB3 LEU X 5 73.589 -12.444 7.203 1.00 1.00 H new ATOM 0 HG LEU X 5 71.993 -11.477 4.787 1.00 1.00 H new ATOM 0 HD11 LEU X 5 71.096 -9.737 6.313 1.00 1.00 H new ATOM 0 HD12 LEU X 5 70.622 -11.366 6.849 1.00 1.00 H new ATOM 0 HD13 LEU X 5 71.939 -10.504 7.680 1.00 1.00 H new ATOM 0 HD21 LEU X 5 73.280 -9.383 5.155 1.00 1.00 H new ATOM 0 HD22 LEU X 5 74.132 -10.148 6.517 1.00 1.00 H new ATOM 0 HD23 LEU X 5 74.368 -10.761 4.863 1.00 1.00 H new ATOM 78 N SER X 6 75.875 -14.590 5.570 1.00 1.00 N ATOM 79 CA SER X 6 76.716 -15.659 6.182 1.00 1.00 C ATOM 80 C SER X 6 77.227 -15.189 7.546 1.00 1.00 C ATOM 81 O SER X 6 77.122 -14.031 7.892 1.00 1.00 O ATOM 82 CB SER X 6 77.902 -15.962 5.269 1.00 1.00 C ATOM 83 OG SER X 6 78.555 -14.747 4.928 1.00 1.00 O ATOM 0 H SER X 6 76.354 -13.995 4.895 1.00 1.00 H new ATOM 0 HA SER X 6 76.118 -16.561 6.310 1.00 1.00 H new ATOM 0 HB2 SER X 6 78.599 -16.634 5.770 1.00 1.00 H new ATOM 0 HB3 SER X 6 77.561 -16.470 4.367 1.00 1.00 H new ATOM 0 HG SER X 6 79.318 -14.939 4.343 1.00 1.00 H new ATOM 89 N GLN X 7 77.783 -16.079 8.321 1.00 1.00 N ATOM 90 CA GLN X 7 78.296 -15.680 9.663 1.00 1.00 C ATOM 91 C GLN X 7 79.262 -14.504 9.509 1.00 1.00 C ATOM 92 O GLN X 7 79.243 -13.568 10.284 1.00 1.00 O ATOM 93 CB GLN X 7 79.031 -16.864 10.299 1.00 1.00 C ATOM 94 CG GLN X 7 79.436 -16.505 11.731 1.00 1.00 C ATOM 95 CD GLN X 7 80.091 -17.717 12.396 1.00 1.00 C ATOM 96 OE1 GLN X 7 79.807 -18.845 12.047 1.00 1.00 O ATOM 97 NE2 GLN X 7 80.966 -17.530 13.347 1.00 1.00 N ATOM 0 H GLN X 7 77.904 -17.064 8.084 1.00 1.00 H new ATOM 0 HA GLN X 7 77.462 -15.385 10.299 1.00 1.00 H new ATOM 0 HB2 GLN X 7 78.389 -17.745 10.301 1.00 1.00 H new ATOM 0 HB3 GLN X 7 79.915 -17.115 9.712 1.00 1.00 H new ATOM 0 HG2 GLN X 7 80.128 -15.663 11.724 1.00 1.00 H new ATOM 0 HG3 GLN X 7 78.560 -16.194 12.301 1.00 1.00 H new ATOM 0 HE21 GLN X 7 81.205 -16.583 13.641 1.00 1.00 H new ATOM 0 HE22 GLN X 7 81.410 -18.331 13.796 1.00 1.00 H new ATOM 106 N HIS X 8 80.104 -14.540 8.513 1.00 1.00 N ATOM 107 CA HIS X 8 81.066 -13.420 8.309 1.00 1.00 C ATOM 108 C HIS X 8 80.302 -12.150 7.926 1.00 1.00 C ATOM 109 O HIS X 8 80.566 -11.078 8.433 1.00 1.00 O ATOM 110 CB HIS X 8 82.042 -13.785 7.189 1.00 1.00 C ATOM 111 CG HIS X 8 83.048 -12.680 7.021 1.00 1.00 C ATOM 112 ND1 HIS X 8 84.050 -12.445 7.952 1.00 1.00 N ATOM 113 CD2 HIS X 8 83.222 -11.738 6.037 1.00 1.00 C ATOM 114 CE1 HIS X 8 84.776 -11.401 7.513 1.00 1.00 C ATOM 115 NE2 HIS X 8 84.312 -10.935 6.352 1.00 1.00 N ATOM 0 H HIS X 8 80.168 -15.296 7.832 1.00 1.00 H new ATOM 0 HA HIS X 8 81.619 -13.245 9.232 1.00 1.00 H new ATOM 0 HB2 HIS X 8 82.549 -14.720 7.425 1.00 1.00 H new ATOM 0 HB3 HIS X 8 81.500 -13.943 6.257 1.00 1.00 H new ATOM 0 HD2 HIS X 8 82.607 -11.637 5.155 1.00 1.00 H new ATOM 0 HE1 HIS X 8 85.628 -10.991 8.035 1.00 1.00 H new ATOM 0 HE2 HIS X 8 84.680 -10.154 5.809 1.00 1.00 H new ATOM 123 N GLU X 9 79.360 -12.260 7.027 1.00 1.00 N ATOM 124 CA GLU X 9 78.586 -11.061 6.606 1.00 1.00 C ATOM 125 C GLU X 9 77.774 -10.538 7.795 1.00 1.00 C ATOM 126 O GLU X 9 77.533 -9.354 7.927 1.00 1.00 O ATOM 127 CB GLU X 9 77.640 -11.439 5.466 1.00 1.00 C ATOM 128 CG GLU X 9 78.459 -11.796 4.223 1.00 1.00 C ATOM 129 CD GLU X 9 77.531 -12.358 3.145 1.00 1.00 C ATOM 130 OE1 GLU X 9 76.329 -12.327 3.352 1.00 1.00 O ATOM 131 OE2 GLU X 9 78.037 -12.815 2.133 1.00 1.00 O ATOM 0 H GLU X 9 79.095 -13.131 6.567 1.00 1.00 H new ATOM 0 HA GLU X 9 79.271 -10.285 6.264 1.00 1.00 H new ATOM 0 HB2 GLU X 9 77.018 -12.284 5.760 1.00 1.00 H new ATOM 0 HB3 GLU X 9 76.968 -10.610 5.246 1.00 1.00 H new ATOM 0 HG2 GLU X 9 78.976 -10.912 3.849 1.00 1.00 H new ATOM 0 HG3 GLU X 9 79.225 -12.529 4.477 1.00 1.00 H new ATOM 138 N ARG X 10 77.352 -11.414 8.662 1.00 1.00 N ATOM 139 CA ARG X 10 76.566 -10.972 9.848 1.00 1.00 C ATOM 140 C ARG X 10 77.473 -10.221 10.824 1.00 1.00 C ATOM 141 O ARG X 10 77.087 -9.229 11.410 1.00 1.00 O ATOM 142 CB ARG X 10 75.956 -12.188 10.548 1.00 1.00 C ATOM 143 CG ARG X 10 74.810 -12.745 9.704 1.00 1.00 C ATOM 144 CD ARG X 10 74.169 -13.930 10.429 1.00 1.00 C ATOM 145 NE ARG X 10 73.071 -14.491 9.589 1.00 1.00 N ATOM 146 CZ ARG X 10 71.878 -13.966 9.637 1.00 1.00 C ATOM 147 NH1 ARG X 10 71.644 -12.947 10.418 1.00 1.00 N ATOM 148 NH2 ARG X 10 70.918 -14.459 8.903 1.00 1.00 N ATOM 0 H ARG X 10 77.517 -12.419 8.601 1.00 1.00 H new ATOM 0 HA ARG X 10 75.768 -10.308 9.517 1.00 1.00 H new ATOM 0 HB2 ARG X 10 76.717 -12.954 10.697 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.590 -11.906 11.535 1.00 1.00 H new ATOM 0 HG2 ARG X 10 74.066 -11.969 9.525 1.00 1.00 H new ATOM 0 HG3 ARG X 10 75.182 -13.060 8.729 1.00 1.00 H new ATOM 0 HD2 ARG X 10 74.918 -14.697 10.628 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.776 -13.610 11.394 1.00 1.00 H new ATOM 0 HE ARG X 10 73.253 -15.286 8.977 1.00 1.00 H new ATOM 0 HH11 ARG X 10 72.394 -12.561 10.991 1.00 1.00 H new ATOM 0 HH12 ARG X 10 70.711 -12.537 10.455 1.00 1.00 H new ATOM 0 HH21 ARG X 10 71.101 -15.255 8.292 1.00 1.00 H new ATOM 0 HH22 ARG X 10 69.985 -14.048 8.941 1.00 1.00 H new ATOM 162 N TYR X 11 78.674 -10.696 11.016 1.00 1.00 N ATOM 163 CA TYR X 11 79.598 -10.019 11.969 1.00 1.00 C ATOM 164 C TYR X 11 79.854 -8.582 11.505 1.00 1.00 C ATOM 165 O TYR X 11 79.731 -7.638 12.263 1.00 1.00 O ATOM 166 CB TYR X 11 80.925 -10.780 12.020 1.00 1.00 C ATOM 167 CG TYR X 11 81.875 -10.073 12.956 1.00 1.00 C ATOM 168 CD1 TYR X 11 81.732 -10.226 14.340 1.00 1.00 C ATOM 169 CD2 TYR X 11 82.897 -9.266 12.442 1.00 1.00 C ATOM 170 CE1 TYR X 11 82.611 -9.571 15.211 1.00 1.00 C ATOM 171 CE2 TYR X 11 83.777 -8.611 13.314 1.00 1.00 C ATOM 172 CZ TYR X 11 83.633 -8.764 14.698 1.00 1.00 C ATOM 173 OH TYR X 11 84.499 -8.119 15.557 1.00 1.00 O ATOM 0 H TYR X 11 79.054 -11.522 10.555 1.00 1.00 H new ATOM 0 HA TYR X 11 79.146 -10.004 12.961 1.00 1.00 H new ATOM 0 HB2 TYR X 11 80.757 -11.802 12.359 1.00 1.00 H new ATOM 0 HB3 TYR X 11 81.359 -10.842 11.022 1.00 1.00 H new ATOM 0 HD1 TYR X 11 80.944 -10.849 14.736 1.00 1.00 H new ATOM 0 HD2 TYR X 11 83.007 -9.148 11.374 1.00 1.00 H new ATOM 0 HE1 TYR X 11 82.500 -9.688 16.279 1.00 1.00 H new ATOM 0 HE2 TYR X 11 84.566 -7.988 12.918 1.00 1.00 H new ATOM 0 HH TYR X 11 85.149 -7.601 15.038 1.00 1.00 H new ATOM 183 N VAL X 12 80.198 -8.408 10.261 1.00 1.00 N ATOM 184 CA VAL X 12 80.450 -7.035 9.740 1.00 1.00 C ATOM 185 C VAL X 12 79.150 -6.234 9.774 1.00 1.00 C ATOM 186 O VAL X 12 79.150 -5.037 9.989 1.00 1.00 O ATOM 187 CB VAL X 12 80.971 -7.112 8.305 1.00 1.00 C ATOM 188 CG1 VAL X 12 82.359 -7.755 8.299 1.00 1.00 C ATOM 189 CG2 VAL X 12 80.015 -7.958 7.463 1.00 1.00 C ATOM 0 H VAL X 12 80.316 -9.158 9.580 1.00 1.00 H new ATOM 0 HA VAL X 12 81.197 -6.543 10.363 1.00 1.00 H new ATOM 0 HB VAL X 12 81.035 -6.107 7.887 1.00 1.00 H new ATOM 0 HG11 VAL X 12 82.730 -7.810 7.276 1.00 1.00 H new ATOM 0 HG12 VAL X 12 83.041 -7.154 8.901 1.00 1.00 H new ATOM 0 HG13 VAL X 12 82.296 -8.760 8.716 1.00 1.00 H new ATOM 0 HG21 VAL X 12 80.385 -8.014 6.439 1.00 1.00 H new ATOM 0 HG22 VAL X 12 79.953 -8.962 7.882 1.00 1.00 H new ATOM 0 HG23 VAL X 12 79.025 -7.501 7.467 1.00 1.00 H new ATOM 199 N GLU X 13 78.037 -6.884 9.567 1.00 1.00 N ATOM 200 CA GLU X 13 76.737 -6.160 9.590 1.00 1.00 C ATOM 201 C GLU X 13 76.541 -5.530 10.972 1.00 1.00 C ATOM 202 O GLU X 13 76.096 -4.406 11.093 1.00 1.00 O ATOM 203 CB GLU X 13 75.600 -7.145 9.313 1.00 1.00 C ATOM 204 CG GLU X 13 74.275 -6.386 9.238 1.00 1.00 C ATOM 205 CD GLU X 13 73.142 -7.363 8.920 1.00 1.00 C ATOM 206 OE1 GLU X 13 73.386 -8.558 8.966 1.00 1.00 O ATOM 207 OE2 GLU X 13 72.050 -6.900 8.634 1.00 1.00 O ATOM 0 H GLU X 13 77.973 -7.885 9.383 1.00 1.00 H new ATOM 0 HA GLU X 13 76.735 -5.382 8.826 1.00 1.00 H new ATOM 0 HB2 GLU X 13 75.782 -7.673 8.377 1.00 1.00 H new ATOM 0 HB3 GLU X 13 75.556 -7.897 10.101 1.00 1.00 H new ATOM 0 HG2 GLU X 13 74.079 -5.882 10.184 1.00 1.00 H new ATOM 0 HG3 GLU X 13 74.329 -5.614 8.470 1.00 1.00 H new ATOM 214 N GLN X 14 76.885 -6.237 12.014 1.00 1.00 N ATOM 215 CA GLN X 14 76.732 -5.666 13.381 1.00 1.00 C ATOM 216 C GLN X 14 77.658 -4.460 13.519 1.00 1.00 C ATOM 217 O GLN X 14 77.327 -3.476 14.154 1.00 1.00 O ATOM 218 CB GLN X 14 77.108 -6.717 14.425 1.00 1.00 C ATOM 219 CG GLN X 14 76.901 -6.141 15.828 1.00 1.00 C ATOM 220 CD GLN X 14 77.172 -7.227 16.870 1.00 1.00 C ATOM 221 OE1 GLN X 14 77.140 -8.402 16.563 1.00 1.00 O ATOM 222 NE2 GLN X 14 77.440 -6.882 18.100 1.00 1.00 N ATOM 0 H GLN X 14 77.264 -7.183 11.977 1.00 1.00 H new ATOM 0 HA GLN X 14 75.697 -5.361 13.537 1.00 1.00 H new ATOM 0 HB2 GLN X 14 76.497 -7.610 14.293 1.00 1.00 H new ATOM 0 HB3 GLN X 14 78.147 -7.019 14.294 1.00 1.00 H new ATOM 0 HG2 GLN X 14 77.569 -5.294 15.987 1.00 1.00 H new ATOM 0 HG3 GLN X 14 75.882 -5.768 15.933 1.00 1.00 H new ATOM 0 HE21 GLN X 14 77.467 -5.896 18.359 1.00 1.00 H new ATOM 0 HE22 GLN X 14 77.622 -7.599 18.802 1.00 1.00 H new ATOM 231 N LEU X 15 78.818 -4.525 12.925 1.00 1.00 N ATOM 232 CA LEU X 15 79.758 -3.380 13.021 1.00 1.00 C ATOM 233 C LEU X 15 79.122 -2.153 12.365 1.00 1.00 C ATOM 234 O LEU X 15 79.220 -1.047 12.860 1.00 1.00 O ATOM 235 CB LEU X 15 81.067 -3.725 12.302 1.00 1.00 C ATOM 236 CG LEU X 15 82.033 -2.537 12.379 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.341 -2.218 13.843 1.00 1.00 C ATOM 238 CD2 LEU X 15 83.330 -2.886 11.649 1.00 1.00 C ATOM 0 H LEU X 15 79.152 -5.320 12.380 1.00 1.00 H new ATOM 0 HA LEU X 15 79.970 -3.168 14.069 1.00 1.00 H new ATOM 0 HB2 LEU X 15 81.522 -4.605 12.758 1.00 1.00 H new ATOM 0 HB3 LEU X 15 80.865 -3.974 11.260 1.00 1.00 H new ATOM 0 HG LEU X 15 81.574 -1.667 11.909 1.00 1.00 H new ATOM 0 HD11 LEU X 15 83.028 -1.373 13.895 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.417 -1.966 14.363 1.00 1.00 H new ATOM 0 HD13 LEU X 15 82.798 -3.087 14.316 1.00 1.00 H new ATOM 0 HD21 LEU X 15 84.017 -2.041 11.704 1.00 1.00 H new ATOM 0 HD22 LEU X 15 83.788 -3.757 12.117 1.00 1.00 H new ATOM 0 HD23 LEU X 15 83.111 -3.109 10.605 1.00 1.00 H new ATOM 250 N LYS X 16 78.477 -2.342 11.248 1.00 1.00 N ATOM 251 CA LYS X 16 77.834 -1.194 10.550 1.00 1.00 C ATOM 252 C LYS X 16 76.802 -0.553 11.476 1.00 1.00 C ATOM 253 O LYS X 16 76.679 0.652 11.538 1.00 1.00 O ATOM 254 CB LYS X 16 77.140 -1.694 9.281 1.00 1.00 C ATOM 255 CG LYS X 16 76.574 -0.504 8.504 1.00 1.00 C ATOM 256 CD LYS X 16 75.946 -0.993 7.202 1.00 1.00 C ATOM 257 CE LYS X 16 75.437 0.207 6.399 1.00 1.00 C ATOM 258 NZ LYS X 16 74.845 -0.273 5.116 1.00 1.00 N ATOM 0 H LYS X 16 78.367 -3.245 10.787 1.00 1.00 H new ATOM 0 HA LYS X 16 78.592 -0.457 10.283 1.00 1.00 H new ATOM 0 HB2 LYS X 16 77.847 -2.244 8.660 1.00 1.00 H new ATOM 0 HB3 LYS X 16 76.339 -2.386 9.541 1.00 1.00 H new ATOM 0 HG2 LYS X 16 75.828 0.015 9.106 1.00 1.00 H new ATOM 0 HG3 LYS X 16 77.366 0.213 8.290 1.00 1.00 H new ATOM 0 HD2 LYS X 16 76.679 -1.550 6.619 1.00 1.00 H new ATOM 0 HD3 LYS X 16 75.124 -1.676 7.416 1.00 1.00 H new ATOM 0 HE2 LYS X 16 74.691 0.754 6.975 1.00 1.00 H new ATOM 0 HE3 LYS X 16 76.255 0.899 6.199 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 74.423 0.530 4.607 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 75.589 -0.702 4.530 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 74.110 -0.981 5.316 1.00 1.00 H new ATOM 272 N GLN X 17 76.056 -1.348 12.193 1.00 1.00 N ATOM 273 CA GLN X 17 75.032 -0.773 13.108 1.00 1.00 C ATOM 274 C GLN X 17 75.725 0.137 14.124 1.00 1.00 C ATOM 275 O GLN X 17 75.278 1.234 14.396 1.00 1.00 O ATOM 276 CB GLN X 17 74.317 -1.907 13.846 1.00 1.00 C ATOM 277 CG GLN X 17 73.538 -2.757 12.841 1.00 1.00 C ATOM 278 CD GLN X 17 72.877 -3.929 13.568 1.00 1.00 C ATOM 279 OE1 GLN X 17 73.004 -4.065 14.769 1.00 1.00 O ATOM 280 NE2 GLN X 17 72.169 -4.788 12.886 1.00 1.00 N ATOM 0 H GLN X 17 76.111 -2.366 12.185 1.00 1.00 H new ATOM 0 HA GLN X 17 74.305 -0.198 12.534 1.00 1.00 H new ATOM 0 HB2 GLN X 17 75.042 -2.525 14.376 1.00 1.00 H new ATOM 0 HB3 GLN X 17 73.639 -1.497 14.595 1.00 1.00 H new ATOM 0 HG2 GLN X 17 72.781 -2.150 12.345 1.00 1.00 H new ATOM 0 HG3 GLN X 17 74.208 -3.128 12.065 1.00 1.00 H new ATOM 0 HE21 GLN X 17 72.062 -4.675 11.878 1.00 1.00 H new ATOM 0 HE22 GLN X 17 71.723 -5.573 13.361 1.00 1.00 H new ATOM 289 N ALA X 18 76.821 -0.306 14.678 1.00 1.00 N ATOM 290 CA ALA X 18 77.552 0.537 15.666 1.00 1.00 C ATOM 291 C ALA X 18 78.087 1.790 14.965 1.00 1.00 C ATOM 292 O ALA X 18 78.081 2.871 15.513 1.00 1.00 O ATOM 293 CB ALA X 18 78.717 -0.259 16.255 1.00 1.00 C ATOM 0 H ALA X 18 77.242 -1.216 14.489 1.00 1.00 H new ATOM 0 HA ALA X 18 76.875 0.830 16.468 1.00 1.00 H new ATOM 0 HB1 ALA X 18 79.251 0.358 16.977 1.00 1.00 H new ATOM 0 HB2 ALA X 18 78.334 -1.150 16.752 1.00 1.00 H new ATOM 0 HB3 ALA X 18 79.397 -0.553 15.456 1.00 1.00 H new ATOM 299 N LEU X 19 78.551 1.653 13.754 1.00 1.00 N ATOM 300 CA LEU X 19 79.074 2.828 13.017 1.00 1.00 C ATOM 301 C LEU X 19 77.923 3.786 12.717 1.00 1.00 C ATOM 302 O LEU X 19 78.057 4.984 12.813 1.00 1.00 O ATOM 303 CB LEU X 19 79.721 2.367 11.707 1.00 1.00 C ATOM 304 CG LEU X 19 80.989 1.563 12.015 1.00 1.00 C ATOM 305 CD1 LEU X 19 81.532 0.952 10.722 1.00 1.00 C ATOM 306 CD2 LEU X 19 82.052 2.479 12.631 1.00 1.00 C ATOM 0 H LEU X 19 78.589 0.771 13.244 1.00 1.00 H new ATOM 0 HA LEU X 19 79.822 3.338 13.623 1.00 1.00 H new ATOM 0 HB2 LEU X 19 79.020 1.756 11.139 1.00 1.00 H new ATOM 0 HB3 LEU X 19 79.967 3.230 11.088 1.00 1.00 H new ATOM 0 HG LEU X 19 80.746 0.770 12.722 1.00 1.00 H new ATOM 0 HD11 LEU X 19 82.434 0.380 10.941 1.00 1.00 H new ATOM 0 HD12 LEU X 19 80.781 0.293 10.288 1.00 1.00 H new ATOM 0 HD13 LEU X 19 81.769 1.747 10.015 1.00 1.00 H new ATOM 0 HD21 LEU X 19 82.950 1.900 12.847 1.00 1.00 H new ATOM 0 HD22 LEU X 19 82.295 3.277 11.930 1.00 1.00 H new ATOM 0 HD23 LEU X 19 81.668 2.912 13.555 1.00 1.00 H new ATOM 318 N LYS X 20 76.794 3.268 12.343 1.00 1.00 N ATOM 319 CA LYS X 20 75.638 4.152 12.027 1.00 1.00 C ATOM 320 C LYS X 20 75.243 4.929 13.282 1.00 1.00 C ATOM 321 O LYS X 20 74.756 6.039 13.212 1.00 1.00 O ATOM 322 CB LYS X 20 74.458 3.302 11.553 1.00 1.00 C ATOM 323 CG LYS X 20 73.324 4.215 11.085 1.00 1.00 C ATOM 324 CD LYS X 20 72.169 3.365 10.551 1.00 1.00 C ATOM 325 CE LYS X 20 71.040 4.279 10.070 1.00 1.00 C ATOM 326 NZ LYS X 20 69.896 3.449 9.599 1.00 1.00 N ATOM 0 H LYS X 20 76.617 2.269 12.241 1.00 1.00 H new ATOM 0 HA LYS X 20 75.915 4.851 11.238 1.00 1.00 H new ATOM 0 HB2 LYS X 20 74.771 2.648 10.739 1.00 1.00 H new ATOM 0 HB3 LYS X 20 74.111 2.660 12.362 1.00 1.00 H new ATOM 0 HG2 LYS X 20 72.980 4.837 11.911 1.00 1.00 H new ATOM 0 HG3 LYS X 20 73.683 4.889 10.307 1.00 1.00 H new ATOM 0 HD2 LYS X 20 72.516 2.736 9.731 1.00 1.00 H new ATOM 0 HD3 LYS X 20 71.803 2.698 11.332 1.00 1.00 H new ATOM 0 HE2 LYS X 20 70.719 4.935 10.879 1.00 1.00 H new ATOM 0 HE3 LYS X 20 71.395 4.920 9.263 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 69.128 4.070 9.272 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 70.208 2.841 8.815 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 69.552 2.856 10.381 1.00 1.00 H new ATOM 340 N THR X 21 75.447 4.349 14.432 1.00 1.00 N ATOM 341 CA THR X 21 75.087 5.050 15.694 1.00 1.00 C ATOM 342 C THR X 21 76.145 6.105 16.012 1.00 1.00 C ATOM 343 O THR X 21 75.860 7.129 16.602 1.00 1.00 O ATOM 344 CB THR X 21 75.015 4.035 16.838 1.00 1.00 C ATOM 345 OG1 THR X 21 76.207 3.267 16.863 1.00 1.00 O ATOM 346 CG2 THR X 21 73.813 3.112 16.629 1.00 1.00 C ATOM 0 H THR X 21 75.848 3.419 14.551 1.00 1.00 H new ATOM 0 HA THR X 21 74.118 5.534 15.577 1.00 1.00 H new ATOM 0 HB THR X 21 74.904 4.562 17.786 1.00 1.00 H new ATOM 0 HG1 THR X 21 76.789 3.542 16.124 1.00 1.00 H new ATOM 0 HG21 THR X 21 73.763 2.390 17.444 1.00 1.00 H new ATOM 0 HG22 THR X 21 72.898 3.704 16.612 1.00 1.00 H new ATOM 0 HG23 THR X 21 73.921 2.583 15.682 1.00 1.00 H new ATOM 354 N ARG X 22 77.372 5.861 15.638 1.00 1.00 N ATOM 355 CA ARG X 22 78.444 6.849 15.935 1.00 1.00 C ATOM 356 C ARG X 22 78.321 8.029 14.977 1.00 1.00 C ATOM 357 O ARG X 22 78.848 9.094 15.227 1.00 1.00 O ATOM 358 CB ARG X 22 79.815 6.183 15.759 1.00 1.00 C ATOM 359 CG ARG X 22 80.409 6.544 14.393 1.00 1.00 C ATOM 360 CD ARG X 22 81.714 5.791 14.178 1.00 1.00 C ATOM 361 NE ARG X 22 82.287 6.175 12.855 1.00 1.00 N ATOM 362 CZ ARG X 22 83.042 7.235 12.752 1.00 1.00 C ATOM 363 NH1 ARG X 22 83.290 7.966 13.804 1.00 1.00 N ATOM 364 NH2 ARG X 22 83.550 7.563 11.596 1.00 1.00 N ATOM 0 H ARG X 22 77.676 5.023 15.142 1.00 1.00 H new ATOM 0 HA ARG X 22 78.343 7.202 16.961 1.00 1.00 H new ATOM 0 HB2 ARG X 22 80.488 6.506 16.553 1.00 1.00 H new ATOM 0 HB3 ARG X 22 79.715 5.101 15.846 1.00 1.00 H new ATOM 0 HG2 ARG X 22 79.701 6.295 13.602 1.00 1.00 H new ATOM 0 HG3 ARG X 22 80.586 7.618 14.336 1.00 1.00 H new ATOM 0 HD2 ARG X 22 82.419 6.025 14.975 1.00 1.00 H new ATOM 0 HD3 ARG X 22 81.538 4.716 14.214 1.00 1.00 H new ATOM 0 HE ARG X 22 82.089 5.609 12.030 1.00 1.00 H new ATOM 0 HH11 ARG X 22 82.894 7.709 14.708 1.00 1.00 H new ATOM 0 HH12 ARG X 22 83.880 8.794 13.722 1.00 1.00 H new ATOM 0 HH21 ARG X 22 83.357 6.991 10.774 1.00 1.00 H new ATOM 0 HH22 ARG X 22 84.140 8.391 11.515 1.00 1.00 H new ATOM 378 N GLY X 23 77.639 7.844 13.880 1.00 1.00 N ATOM 379 CA GLY X 23 77.486 8.954 12.895 1.00 1.00 C ATOM 380 C GLY X 23 78.058 8.539 11.542 1.00 1.00 C ATOM 381 O GLY X 23 78.816 9.270 10.935 1.00 1.00 O ATOM 0 H GLY X 23 77.180 6.970 13.622 1.00 1.00 H new ATOM 0 HA2 GLY X 23 76.433 9.213 12.789 1.00 1.00 H new ATOM 0 HA3 GLY X 23 77.999 9.845 13.257 1.00 1.00 H new ATOM 385 N VAL X 24 77.699 7.377 11.065 1.00 1.00 N ATOM 386 CA VAL X 24 78.213 6.908 9.745 1.00 1.00 C ATOM 387 C VAL X 24 77.028 6.601 8.830 1.00 1.00 C ATOM 388 O VAL X 24 76.038 6.049 9.259 1.00 1.00 O ATOM 389 CB VAL X 24 79.054 5.653 9.932 1.00 1.00 C ATOM 390 CG1 VAL X 24 79.404 5.064 8.568 1.00 1.00 C ATOM 391 CG2 VAL X 24 80.338 6.007 10.685 1.00 1.00 C ATOM 0 H VAL X 24 77.068 6.729 11.536 1.00 1.00 H new ATOM 0 HA VAL X 24 78.833 7.685 9.298 1.00 1.00 H new ATOM 0 HB VAL X 24 78.489 4.919 10.506 1.00 1.00 H new ATOM 0 HG11 VAL X 24 80.006 4.166 8.703 1.00 1.00 H new ATOM 0 HG12 VAL X 24 78.488 4.810 8.035 1.00 1.00 H new ATOM 0 HG13 VAL X 24 79.969 5.795 7.990 1.00 1.00 H new ATOM 0 HG21 VAL X 24 80.941 5.109 10.819 1.00 1.00 H new ATOM 0 HG22 VAL X 24 80.904 6.742 10.113 1.00 1.00 H new ATOM 0 HG23 VAL X 24 80.085 6.423 11.660 1.00 1.00 H new ATOM 401 N LYS X 25 77.122 6.957 7.578 1.00 1.00 N ATOM 402 CA LYS X 25 76.002 6.689 6.634 1.00 1.00 C ATOM 403 C LYS X 25 76.529 5.906 5.435 1.00 1.00 C ATOM 404 O LYS X 25 77.081 6.469 4.513 1.00 1.00 O ATOM 405 CB LYS X 25 75.410 8.017 6.154 1.00 1.00 C ATOM 406 CG LYS X 25 74.724 8.722 7.326 1.00 1.00 C ATOM 407 CD LYS X 25 74.139 10.052 6.848 1.00 1.00 C ATOM 408 CE LYS X 25 73.396 10.728 8.002 1.00 1.00 C ATOM 409 NZ LYS X 25 72.852 12.037 7.543 1.00 1.00 N ATOM 0 H LYS X 25 77.930 7.424 7.167 1.00 1.00 H new ATOM 0 HA LYS X 25 75.230 6.109 7.139 1.00 1.00 H new ATOM 0 HB2 LYS X 25 76.196 8.651 5.744 1.00 1.00 H new ATOM 0 HB3 LYS X 25 74.693 7.839 5.352 1.00 1.00 H new ATOM 0 HG2 LYS X 25 73.934 8.090 7.733 1.00 1.00 H new ATOM 0 HG3 LYS X 25 75.440 8.895 8.130 1.00 1.00 H new ATOM 0 HD2 LYS X 25 74.935 10.702 6.484 1.00 1.00 H new ATOM 0 HD3 LYS X 25 73.459 9.883 6.013 1.00 1.00 H new ATOM 0 HE2 LYS X 25 72.586 10.088 8.352 1.00 1.00 H new ATOM 0 HE3 LYS X 25 74.071 10.878 8.845 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 72.347 12.497 8.327 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 73.634 12.647 7.229 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 72.195 11.882 6.752 1.00 1.00 H new ATOM 423 N VAL X 26 76.360 4.610 5.444 1.00 1.00 N ATOM 424 CA VAL X 26 76.846 3.778 4.306 1.00 1.00 C ATOM 425 C VAL X 26 75.742 2.819 3.864 1.00 1.00 C ATOM 426 O VAL X 26 75.048 2.240 4.677 1.00 1.00 O ATOM 427 CB VAL X 26 78.073 2.979 4.739 1.00 1.00 C ATOM 428 CG1 VAL X 26 78.408 1.937 3.672 1.00 1.00 C ATOM 429 CG2 VAL X 26 79.257 3.927 4.907 1.00 1.00 C ATOM 0 H VAL X 26 75.904 4.091 6.194 1.00 1.00 H new ATOM 0 HA VAL X 26 77.115 4.429 3.474 1.00 1.00 H new ATOM 0 HB VAL X 26 77.865 2.477 5.684 1.00 1.00 H new ATOM 0 HG11 VAL X 26 79.284 1.367 3.982 1.00 1.00 H new ATOM 0 HG12 VAL X 26 77.562 1.261 3.545 1.00 1.00 H new ATOM 0 HG13 VAL X 26 78.617 2.438 2.727 1.00 1.00 H new ATOM 0 HG21 VAL X 26 80.136 3.361 5.216 1.00 1.00 H new ATOM 0 HG22 VAL X 26 79.461 4.425 3.959 1.00 1.00 H new ATOM 0 HG23 VAL X 26 79.021 4.673 5.666 1.00 1.00 H new ATOM 439 N LYS X 27 75.574 2.646 2.583 1.00 1.00 N ATOM 440 CA LYS X 27 74.519 1.722 2.094 1.00 1.00 C ATOM 441 C LYS X 27 74.968 0.273 2.301 1.00 1.00 C ATOM 442 O LYS X 27 76.140 -0.031 2.277 1.00 1.00 O ATOM 443 CB LYS X 27 74.267 1.967 0.603 1.00 1.00 C ATOM 444 CG LYS X 27 73.661 3.358 0.408 1.00 1.00 C ATOM 445 CD LYS X 27 73.407 3.602 -1.080 1.00 1.00 C ATOM 446 CE LYS X 27 72.841 5.010 -1.277 1.00 1.00 C ATOM 447 NZ LYS X 27 72.582 5.244 -2.726 1.00 1.00 N ATOM 0 H LYS X 27 76.122 3.105 1.856 1.00 1.00 H new ATOM 0 HA LYS X 27 73.600 1.902 2.651 1.00 1.00 H new ATOM 0 HB2 LYS X 27 75.201 1.885 0.047 1.00 1.00 H new ATOM 0 HB3 LYS X 27 73.593 1.207 0.208 1.00 1.00 H new ATOM 0 HG2 LYS X 27 72.728 3.441 0.965 1.00 1.00 H new ATOM 0 HG3 LYS X 27 74.336 4.118 0.802 1.00 1.00 H new ATOM 0 HD2 LYS X 27 74.335 3.490 -1.641 1.00 1.00 H new ATOM 0 HD3 LYS X 27 72.708 2.860 -1.467 1.00 1.00 H new ATOM 0 HE2 LYS X 27 71.918 5.125 -0.709 1.00 1.00 H new ATOM 0 HE3 LYS X 27 73.544 5.752 -0.898 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 72.197 6.201 -2.860 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 73.471 5.151 -3.257 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 71.896 4.544 -3.074 1.00 1.00 H new ATOM 461 N TYR X 28 74.045 -0.624 2.506 1.00 1.00 N ATOM 462 CA TYR X 28 74.427 -2.051 2.715 1.00 1.00 C ATOM 463 C TYR X 28 75.106 -2.580 1.447 1.00 1.00 C ATOM 464 O TYR X 28 76.020 -3.381 1.506 1.00 1.00 O ATOM 465 CB TYR X 28 73.177 -2.877 3.013 1.00 1.00 C ATOM 466 CG TYR X 28 72.550 -2.401 4.299 1.00 1.00 C ATOM 467 CD1 TYR X 28 71.678 -1.304 4.288 1.00 1.00 C ATOM 468 CD2 TYR X 28 72.838 -3.052 5.505 1.00 1.00 C ATOM 469 CE1 TYR X 28 71.096 -0.859 5.481 1.00 1.00 C ATOM 470 CE2 TYR X 28 72.255 -2.608 6.697 1.00 1.00 C ATOM 471 CZ TYR X 28 71.383 -1.511 6.686 1.00 1.00 C ATOM 472 OH TYR X 28 70.809 -1.074 7.861 1.00 1.00 O ATOM 0 H TYR X 28 73.044 -0.433 2.538 1.00 1.00 H new ATOM 0 HA TYR X 28 75.115 -2.128 3.557 1.00 1.00 H new ATOM 0 HB2 TYR X 28 72.464 -2.785 2.193 1.00 1.00 H new ATOM 0 HB3 TYR X 28 73.437 -3.933 3.092 1.00 1.00 H new ATOM 0 HD1 TYR X 28 71.455 -0.801 3.358 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.510 -3.897 5.515 1.00 1.00 H new ATOM 0 HE1 TYR X 28 70.425 -0.012 5.472 1.00 1.00 H new ATOM 0 HE2 TYR X 28 72.477 -3.111 7.626 1.00 1.00 H new ATOM 0 HH TYR X 28 71.113 -1.637 8.603 1.00 1.00 H new ATOM 482 N ALA X 29 74.665 -2.138 0.301 1.00 1.00 N ATOM 483 CA ALA X 29 75.282 -2.611 -0.970 1.00 1.00 C ATOM 484 C ALA X 29 76.768 -2.247 -0.977 1.00 1.00 C ATOM 485 O ALA X 29 77.592 -2.974 -1.495 1.00 1.00 O ATOM 486 CB ALA X 29 74.586 -1.942 -2.157 1.00 1.00 C ATOM 0 H ALA X 29 73.903 -1.469 0.190 1.00 1.00 H new ATOM 0 HA ALA X 29 75.171 -3.692 -1.049 1.00 1.00 H new ATOM 0 HB1 ALA X 29 75.038 -2.289 -3.086 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.527 -2.200 -2.150 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.697 -0.860 -2.081 1.00 1.00 H new ATOM 492 N ASP X 30 77.118 -1.127 -0.409 1.00 1.00 N ATOM 493 CA ASP X 30 78.549 -0.721 -0.378 1.00 1.00 C ATOM 494 C ASP X 30 79.349 -1.744 0.426 1.00 1.00 C ATOM 495 O ASP X 30 80.469 -2.067 0.094 1.00 1.00 O ATOM 496 CB ASP X 30 78.681 0.661 0.271 1.00 1.00 C ATOM 497 CG ASP X 30 78.446 1.755 -0.776 1.00 1.00 C ATOM 498 OD1 ASP X 30 78.859 1.557 -1.907 1.00 1.00 O ATOM 499 OD2 ASP X 30 77.860 2.767 -0.430 1.00 1.00 O ATOM 0 H ASP X 30 76.473 -0.474 0.036 1.00 1.00 H new ATOM 0 HA ASP X 30 78.935 -0.676 -1.396 1.00 1.00 H new ATOM 0 HB2 ASP X 30 77.960 0.761 1.082 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.672 0.773 0.710 1.00 1.00 H new ATOM 504 N LEU X 31 78.783 -2.262 1.481 1.00 1.00 N ATOM 505 CA LEU X 31 79.517 -3.272 2.294 1.00 1.00 C ATOM 506 C LEU X 31 79.788 -4.512 1.448 1.00 1.00 C ATOM 507 O LEU X 31 80.881 -5.046 1.445 1.00 1.00 O ATOM 508 CB LEU X 31 78.664 -3.660 3.508 1.00 1.00 C ATOM 509 CG LEU X 31 78.938 -2.688 4.659 1.00 1.00 C ATOM 510 CD1 LEU X 31 80.363 -2.896 5.185 1.00 1.00 C ATOM 511 CD2 LEU X 31 78.786 -1.247 4.159 1.00 1.00 C ATOM 0 H LEU X 31 77.847 -2.031 1.814 1.00 1.00 H new ATOM 0 HA LEU X 31 80.464 -2.850 2.630 1.00 1.00 H new ATOM 0 HB2 LEU X 31 77.607 -3.639 3.244 1.00 1.00 H new ATOM 0 HB3 LEU X 31 78.895 -4.680 3.817 1.00 1.00 H new ATOM 0 HG LEU X 31 78.226 -2.874 5.463 1.00 1.00 H new ATOM 0 HD11 LEU X 31 80.553 -2.202 6.004 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.473 -3.919 5.544 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.077 -2.714 4.382 1.00 1.00 H new ATOM 0 HD21 LEU X 31 78.981 -0.555 4.978 1.00 1.00 H new ATOM 0 HD22 LEU X 31 79.497 -1.065 3.353 1.00 1.00 H new ATOM 0 HD23 LEU X 31 77.772 -1.095 3.790 1.00 1.00 H new ATOM 523 N LEU X 32 78.807 -4.968 0.718 1.00 1.00 N ATOM 524 CA LEU X 32 79.018 -6.169 -0.140 1.00 1.00 C ATOM 525 C LEU X 32 80.050 -5.846 -1.223 1.00 1.00 C ATOM 526 O LEU X 32 80.932 -6.632 -1.510 1.00 1.00 O ATOM 527 CB LEU X 32 77.696 -6.559 -0.799 1.00 1.00 C ATOM 528 CG LEU X 32 76.728 -7.077 0.270 1.00 1.00 C ATOM 529 CD1 LEU X 32 75.343 -7.293 -0.348 1.00 1.00 C ATOM 530 CD2 LEU X 32 77.242 -8.405 0.837 1.00 1.00 C ATOM 0 H LEU X 32 77.872 -4.563 0.678 1.00 1.00 H new ATOM 0 HA LEU X 32 79.379 -6.996 0.472 1.00 1.00 H new ATOM 0 HB2 LEU X 32 77.264 -5.699 -1.310 1.00 1.00 H new ATOM 0 HB3 LEU X 32 77.866 -7.326 -1.554 1.00 1.00 H new ATOM 0 HG LEU X 32 76.659 -6.342 1.072 1.00 1.00 H new ATOM 0 HD11 LEU X 32 74.657 -7.661 0.415 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.970 -6.349 -0.745 1.00 1.00 H new ATOM 0 HD13 LEU X 32 75.414 -8.023 -1.154 1.00 1.00 H new ATOM 0 HD21 LEU X 32 76.550 -8.769 1.597 1.00 1.00 H new ATOM 0 HD22 LEU X 32 77.318 -9.138 0.034 1.00 1.00 H new ATOM 0 HD23 LEU X 32 78.225 -8.254 1.284 1.00 1.00 H new ATOM 542 N LYS X 33 79.948 -4.693 -1.823 1.00 1.00 N ATOM 543 CA LYS X 33 80.922 -4.315 -2.884 1.00 1.00 C ATOM 544 C LYS X 33 82.303 -4.109 -2.256 1.00 1.00 C ATOM 545 O LYS X 33 83.319 -4.410 -2.851 1.00 1.00 O ATOM 546 CB LYS X 33 80.465 -3.023 -3.564 1.00 1.00 C ATOM 547 CG LYS X 33 79.151 -3.276 -4.309 1.00 1.00 C ATOM 548 CD LYS X 33 78.667 -1.972 -4.947 1.00 1.00 C ATOM 549 CE LYS X 33 77.369 -2.231 -5.716 1.00 1.00 C ATOM 550 NZ LYS X 33 76.945 -0.980 -6.408 1.00 1.00 N ATOM 0 H LYS X 33 79.231 -3.995 -1.624 1.00 1.00 H new ATOM 0 HA LYS X 33 80.978 -5.110 -3.628 1.00 1.00 H new ATOM 0 HB2 LYS X 33 80.329 -2.237 -2.821 1.00 1.00 H new ATOM 0 HB3 LYS X 33 81.229 -2.676 -4.260 1.00 1.00 H new ATOM 0 HG2 LYS X 33 79.296 -4.037 -5.076 1.00 1.00 H new ATOM 0 HG3 LYS X 33 78.398 -3.658 -3.620 1.00 1.00 H new ATOM 0 HD2 LYS X 33 78.502 -1.218 -4.178 1.00 1.00 H new ATOM 0 HD3 LYS X 33 79.429 -1.579 -5.620 1.00 1.00 H new ATOM 0 HE2 LYS X 33 77.517 -3.029 -6.443 1.00 1.00 H new ATOM 0 HE3 LYS X 33 76.588 -2.564 -5.032 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 76.063 -1.154 -6.931 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 76.788 -0.230 -5.705 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 77.688 -0.682 -7.072 1.00 1.00 H new ATOM 564 N PHE X 34 82.348 -3.578 -1.066 1.00 1.00 N ATOM 565 CA PHE X 34 83.660 -3.332 -0.408 1.00 1.00 C ATOM 566 C PHE X 34 84.441 -4.642 -0.318 1.00 1.00 C ATOM 567 O PHE X 34 85.601 -4.709 -0.674 1.00 1.00 O ATOM 568 CB PHE X 34 83.428 -2.781 1.002 1.00 1.00 C ATOM 569 CG PHE X 34 84.749 -2.700 1.737 1.00 1.00 C ATOM 570 CD1 PHE X 34 85.783 -1.903 1.231 1.00 1.00 C ATOM 571 CD2 PHE X 34 84.938 -3.423 2.920 1.00 1.00 C ATOM 572 CE1 PHE X 34 87.005 -1.830 1.908 1.00 1.00 C ATOM 573 CE2 PHE X 34 86.162 -3.349 3.598 1.00 1.00 C ATOM 574 CZ PHE X 34 87.195 -2.553 3.092 1.00 1.00 C ATOM 0 H PHE X 34 81.531 -3.304 -0.520 1.00 1.00 H new ATOM 0 HA PHE X 34 84.229 -2.610 -0.994 1.00 1.00 H new ATOM 0 HB2 PHE X 34 82.969 -1.794 0.947 1.00 1.00 H new ATOM 0 HB3 PHE X 34 82.736 -3.424 1.546 1.00 1.00 H new ATOM 0 HD1 PHE X 34 85.637 -1.345 0.318 1.00 1.00 H new ATOM 0 HD2 PHE X 34 84.141 -4.038 3.310 1.00 1.00 H new ATOM 0 HE1 PHE X 34 87.803 -1.216 1.517 1.00 1.00 H new ATOM 0 HE2 PHE X 34 86.308 -3.907 4.511 1.00 1.00 H new ATOM 0 HZ PHE X 34 88.139 -2.496 3.614 1.00 1.00 H new ATOM 584 N PHE X 35 83.814 -5.685 0.145 1.00 1.00 N ATOM 585 CA PHE X 35 84.520 -6.992 0.251 1.00 1.00 C ATOM 586 C PHE X 35 84.949 -7.446 -1.143 1.00 1.00 C ATOM 587 O PHE X 35 86.035 -7.958 -1.332 1.00 1.00 O ATOM 588 CB PHE X 35 83.584 -8.034 0.863 1.00 1.00 C ATOM 589 CG PHE X 35 83.247 -7.637 2.282 1.00 1.00 C ATOM 590 CD1 PHE X 35 84.256 -7.569 3.250 1.00 1.00 C ATOM 591 CD2 PHE X 35 81.924 -7.336 2.629 1.00 1.00 C ATOM 592 CE1 PHE X 35 83.944 -7.201 4.564 1.00 1.00 C ATOM 593 CE2 PHE X 35 81.611 -6.968 3.943 1.00 1.00 C ATOM 594 CZ PHE X 35 82.621 -6.900 4.910 1.00 1.00 C ATOM 0 H PHE X 35 82.842 -5.690 0.455 1.00 1.00 H new ATOM 0 HA PHE X 35 85.398 -6.882 0.887 1.00 1.00 H new ATOM 0 HB2 PHE X 35 82.673 -8.113 0.270 1.00 1.00 H new ATOM 0 HB3 PHE X 35 84.058 -9.016 0.851 1.00 1.00 H new ATOM 0 HD1 PHE X 35 85.276 -7.801 2.983 1.00 1.00 H new ATOM 0 HD2 PHE X 35 81.145 -7.388 1.883 1.00 1.00 H new ATOM 0 HE1 PHE X 35 84.723 -7.149 5.310 1.00 1.00 H new ATOM 0 HE2 PHE X 35 80.591 -6.737 4.211 1.00 1.00 H new ATOM 0 HZ PHE X 35 82.380 -6.615 5.923 1.00 1.00 H new ATOM 604 N ASP X 36 84.106 -7.270 -2.123 1.00 1.00 N ATOM 605 CA ASP X 36 84.476 -7.695 -3.502 1.00 1.00 C ATOM 606 C ASP X 36 85.724 -6.931 -3.948 1.00 1.00 C ATOM 607 O ASP X 36 86.647 -7.501 -4.497 1.00 1.00 O ATOM 608 CB ASP X 36 83.315 -7.383 -4.457 1.00 1.00 C ATOM 609 CG ASP X 36 82.289 -8.527 -4.427 1.00 1.00 C ATOM 610 OD1 ASP X 36 82.572 -9.526 -3.787 1.00 1.00 O ATOM 611 OD2 ASP X 36 81.244 -8.382 -5.039 1.00 1.00 O ATOM 0 H ASP X 36 83.180 -6.852 -2.029 1.00 1.00 H new ATOM 0 HA ASP X 36 84.681 -8.766 -3.515 1.00 1.00 H new ATOM 0 HB2 ASP X 36 82.837 -6.447 -4.168 1.00 1.00 H new ATOM 0 HB3 ASP X 36 83.693 -7.249 -5.471 1.00 1.00 H new ATOM 616 N PHE X 37 85.762 -5.649 -3.713 1.00 1.00 N ATOM 617 CA PHE X 37 86.956 -4.852 -4.118 1.00 1.00 C ATOM 618 C PHE X 37 88.186 -5.336 -3.343 1.00 1.00 C ATOM 619 O PHE X 37 89.237 -5.575 -3.907 1.00 1.00 O ATOM 620 CB PHE X 37 86.708 -3.373 -3.812 1.00 1.00 C ATOM 621 CG PHE X 37 87.916 -2.563 -4.224 1.00 1.00 C ATOM 622 CD1 PHE X 37 88.283 -2.492 -5.573 1.00 1.00 C ATOM 623 CD2 PHE X 37 88.669 -1.885 -3.257 1.00 1.00 C ATOM 624 CE1 PHE X 37 89.401 -1.741 -5.956 1.00 1.00 C ATOM 625 CE2 PHE X 37 89.787 -1.134 -3.641 1.00 1.00 C ATOM 626 CZ PHE X 37 90.153 -1.063 -4.990 1.00 1.00 C ATOM 0 H PHE X 37 85.019 -5.118 -3.258 1.00 1.00 H new ATOM 0 HA PHE X 37 87.131 -4.979 -5.186 1.00 1.00 H new ATOM 0 HB2 PHE X 37 85.824 -3.024 -4.345 1.00 1.00 H new ATOM 0 HB3 PHE X 37 86.513 -3.239 -2.748 1.00 1.00 H new ATOM 0 HD1 PHE X 37 87.704 -3.017 -6.318 1.00 1.00 H new ATOM 0 HD2 PHE X 37 88.388 -1.941 -2.216 1.00 1.00 H new ATOM 0 HE1 PHE X 37 89.683 -1.685 -6.997 1.00 1.00 H new ATOM 0 HE2 PHE X 37 90.367 -0.610 -2.896 1.00 1.00 H new ATOM 0 HZ PHE X 37 91.016 -0.485 -5.286 1.00 1.00 H new ATOM 636 N VAL X 38 88.062 -5.482 -2.052 1.00 1.00 N ATOM 637 CA VAL X 38 89.222 -5.944 -1.240 1.00 1.00 C ATOM 638 C VAL X 38 89.656 -7.330 -1.720 1.00 1.00 C ATOM 639 O VAL X 38 90.829 -7.597 -1.897 1.00 1.00 O ATOM 640 CB VAL X 38 88.819 -6.014 0.234 1.00 1.00 C ATOM 641 CG1 VAL X 38 89.975 -6.587 1.053 1.00 1.00 C ATOM 642 CG2 VAL X 38 88.484 -4.608 0.738 1.00 1.00 C ATOM 0 H VAL X 38 87.208 -5.301 -1.525 1.00 1.00 H new ATOM 0 HA VAL X 38 90.050 -5.244 -1.354 1.00 1.00 H new ATOM 0 HB VAL X 38 87.945 -6.657 0.341 1.00 1.00 H new ATOM 0 HG11 VAL X 38 89.687 -6.637 2.103 1.00 1.00 H new ATOM 0 HG12 VAL X 38 90.214 -7.588 0.694 1.00 1.00 H new ATOM 0 HG13 VAL X 38 90.850 -5.945 0.946 1.00 1.00 H new ATOM 0 HG21 VAL X 38 88.197 -4.657 1.788 1.00 1.00 H new ATOM 0 HG22 VAL X 38 89.358 -3.965 0.630 1.00 1.00 H new ATOM 0 HG23 VAL X 38 87.659 -4.199 0.155 1.00 1.00 H new ATOM 652 N LYS X 39 88.722 -8.214 -1.936 1.00 1.00 N ATOM 653 CA LYS X 39 89.081 -9.578 -2.412 1.00 1.00 C ATOM 654 C LYS X 39 89.710 -9.469 -3.807 1.00 1.00 C ATOM 655 O LYS X 39 90.582 -10.208 -4.173 1.00 1.00 O ATOM 656 CB LYS X 39 87.823 -10.446 -2.481 1.00 1.00 C ATOM 657 CG LYS X 39 88.213 -11.927 -2.432 1.00 1.00 C ATOM 658 CD LYS X 39 86.953 -12.784 -2.326 1.00 1.00 C ATOM 659 CE LYS X 39 87.350 -14.253 -2.178 1.00 1.00 C ATOM 660 NZ LYS X 39 87.996 -14.723 -3.436 1.00 1.00 N ATOM 0 H LYS X 39 87.724 -8.050 -1.803 1.00 1.00 H new ATOM 0 HA LYS X 39 89.791 -10.034 -1.722 1.00 1.00 H new ATOM 0 HB2 LYS X 39 87.159 -10.207 -1.650 1.00 1.00 H new ATOM 0 HB3 LYS X 39 87.274 -10.235 -3.399 1.00 1.00 H new ATOM 0 HG2 LYS X 39 88.774 -12.196 -3.327 1.00 1.00 H new ATOM 0 HG3 LYS X 39 88.865 -12.114 -1.579 1.00 1.00 H new ATOM 0 HD2 LYS X 39 86.356 -12.469 -1.470 1.00 1.00 H new ATOM 0 HD3 LYS X 39 86.333 -12.651 -3.213 1.00 1.00 H new ATOM 0 HE2 LYS X 39 88.035 -14.373 -1.338 1.00 1.00 H new ATOM 0 HE3 LYS X 39 86.470 -14.858 -1.960 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 87.959 -15.762 -3.478 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 87.492 -14.325 -4.254 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 88.988 -14.411 -3.455 1.00 1.00 H new ATOM 674 N ASP X 40 89.267 -8.550 -4.592 1.00 1.00 N ATOM 675 CA ASP X 40 89.842 -8.391 -5.956 1.00 1.00 C ATOM 676 C ASP X 40 91.276 -7.863 -5.852 1.00 1.00 C ATOM 677 O ASP X 40 92.045 -7.938 -6.789 1.00 1.00 O ATOM 678 CB ASP X 40 88.992 -7.406 -6.761 1.00 1.00 C ATOM 679 CG ASP X 40 87.810 -8.142 -7.391 1.00 1.00 C ATOM 680 OD1 ASP X 40 88.001 -8.739 -8.438 1.00 1.00 O ATOM 681 OD2 ASP X 40 86.736 -8.103 -6.814 1.00 1.00 O ATOM 0 H ASP X 40 88.525 -7.891 -4.355 1.00 1.00 H new ATOM 0 HA ASP X 40 89.848 -9.358 -6.458 1.00 1.00 H new ATOM 0 HB2 ASP X 40 88.632 -6.607 -6.113 1.00 1.00 H new ATOM 0 HB3 ASP X 40 89.597 -6.938 -7.537 1.00 1.00 H new ATOM 686 N THR X 41 91.617 -7.260 -4.745 1.00 1.00 N ATOM 687 CA THR X 41 92.977 -6.666 -4.623 1.00 1.00 C ATOM 688 C THR X 41 94.054 -7.703 -4.928 1.00 1.00 C ATOM 689 O THR X 41 94.842 -7.539 -5.832 1.00 1.00 O ATOM 690 CB THR X 41 93.175 -6.155 -3.187 1.00 1.00 C ATOM 691 OG1 THR X 41 92.044 -5.392 -2.795 1.00 1.00 O ATOM 692 CG2 THR X 41 94.431 -5.287 -3.116 1.00 1.00 C ATOM 0 H THR X 41 91.017 -7.154 -3.927 1.00 1.00 H new ATOM 0 HA THR X 41 93.063 -5.848 -5.338 1.00 1.00 H new ATOM 0 HB THR X 41 93.289 -7.005 -2.514 1.00 1.00 H new ATOM 0 HG1 THR X 41 92.170 -5.068 -1.879 1.00 1.00 H new ATOM 0 HG21 THR X 41 94.567 -4.927 -2.096 1.00 1.00 H new ATOM 0 HG22 THR X 41 95.298 -5.877 -3.411 1.00 1.00 H new ATOM 0 HG23 THR X 41 94.324 -4.437 -3.790 1.00 1.00 H new ATOM 700 N CYS X 42 94.109 -8.751 -4.168 1.00 1.00 N ATOM 701 CA CYS X 42 95.148 -9.795 -4.395 1.00 1.00 C ATOM 702 C CYS X 42 94.547 -11.013 -5.101 1.00 1.00 C ATOM 703 O CYS X 42 94.991 -11.397 -6.171 1.00 1.00 O ATOM 704 CB CYS X 42 95.745 -10.223 -3.045 1.00 1.00 C ATOM 705 SG CYS X 42 94.942 -9.287 -1.708 1.00 1.00 S ATOM 0 H CYS X 42 93.475 -8.936 -3.390 1.00 1.00 H new ATOM 0 HA CYS X 42 95.930 -9.378 -5.030 1.00 1.00 H new ATOM 0 HB2 CYS X 42 95.600 -11.293 -2.893 1.00 1.00 H new ATOM 0 HB3 CYS X 42 96.820 -10.042 -3.036 1.00 1.00 H new ATOM 0 HG CYS X 42 95.443 -9.648 -0.564 1.00 1.00 H new ATOM 711 N PRO X 43 93.558 -11.636 -4.502 1.00 1.00 N ATOM 712 CA PRO X 43 92.911 -12.845 -5.073 1.00 1.00 C ATOM 713 C PRO X 43 92.686 -12.737 -6.577 1.00 1.00 C ATOM 714 O PRO X 43 93.033 -13.629 -7.323 1.00 1.00 O ATOM 715 CB PRO X 43 91.578 -12.914 -4.332 1.00 1.00 C ATOM 716 CG PRO X 43 91.820 -12.259 -3.016 1.00 1.00 C ATOM 717 CD PRO X 43 92.933 -11.258 -3.219 1.00 1.00 C ATOM 0 HA PRO X 43 93.530 -13.733 -4.949 1.00 1.00 H new ATOM 0 HB2 PRO X 43 90.793 -12.401 -4.887 1.00 1.00 H new ATOM 0 HB3 PRO X 43 91.254 -13.947 -4.203 1.00 1.00 H new ATOM 0 HG2 PRO X 43 90.917 -11.764 -2.660 1.00 1.00 H new ATOM 0 HG3 PRO X 43 92.097 -12.997 -2.263 1.00 1.00 H new ATOM 0 HD2 PRO X 43 92.546 -10.239 -3.253 1.00 1.00 H new ATOM 0 HD3 PRO X 43 93.654 -11.298 -2.402 1.00 1.00 H new ATOM 725 N TRP X 44 92.130 -11.647 -7.032 1.00 1.00 N ATOM 726 CA TRP X 44 91.906 -11.472 -8.494 1.00 1.00 C ATOM 727 C TRP X 44 92.550 -10.163 -8.943 1.00 1.00 C ATOM 728 O TRP X 44 93.744 -9.987 -8.844 1.00 1.00 O ATOM 729 CB TRP X 44 90.410 -11.445 -8.785 1.00 1.00 C ATOM 730 CG TRP X 44 89.757 -12.639 -8.176 1.00 1.00 C ATOM 731 CD1 TRP X 44 90.204 -13.910 -8.294 1.00 1.00 C ATOM 732 CD2 TRP X 44 88.550 -12.703 -7.363 1.00 1.00 C ATOM 733 NE1 TRP X 44 89.349 -14.750 -7.604 1.00 1.00 N ATOM 734 CE2 TRP X 44 88.313 -14.053 -7.013 1.00 1.00 C ATOM 735 CE3 TRP X 44 87.647 -11.729 -6.900 1.00 1.00 C ATOM 736 CZ2 TRP X 44 87.219 -14.425 -6.231 1.00 1.00 C ATOM 737 CZ3 TRP X 44 86.544 -12.099 -6.112 1.00 1.00 C ATOM 738 CH2 TRP X 44 86.331 -13.444 -5.779 1.00 1.00 C ATOM 0 H TRP X 44 91.820 -10.868 -6.451 1.00 1.00 H new ATOM 0 HA TRP X 44 92.355 -12.303 -9.038 1.00 1.00 H new ATOM 0 HB2 TRP X 44 89.968 -10.533 -8.384 1.00 1.00 H new ATOM 0 HB3 TRP X 44 90.239 -11.435 -9.862 1.00 1.00 H new ATOM 0 HD1 TRP X 44 91.085 -14.218 -8.838 1.00 1.00 H new ATOM 0 HE1 TRP X 44 89.469 -15.761 -7.539 1.00 1.00 H new ATOM 0 HE3 TRP X 44 87.802 -10.690 -7.152 1.00 1.00 H new ATOM 0 HZ2 TRP X 44 87.059 -15.462 -5.977 1.00 1.00 H new ATOM 0 HZ3 TRP X 44 85.857 -11.343 -5.761 1.00 1.00 H new ATOM 0 HH2 TRP X 44 85.481 -13.722 -5.173 1.00 1.00 H new ATOM 749 N PHE X 45 91.771 -9.252 -9.445 1.00 1.00 N ATOM 750 CA PHE X 45 92.328 -7.953 -9.919 1.00 1.00 C ATOM 751 C PHE X 45 91.198 -7.038 -10.407 1.00 1.00 C ATOM 752 O PHE X 45 91.199 -5.849 -10.150 1.00 1.00 O ATOM 753 CB PHE X 45 93.302 -8.194 -11.086 1.00 1.00 C ATOM 754 CG PHE X 45 94.496 -7.284 -10.944 1.00 1.00 C ATOM 755 CD1 PHE X 45 95.352 -7.417 -9.844 1.00 1.00 C ATOM 756 CD2 PHE X 45 94.748 -6.305 -11.913 1.00 1.00 C ATOM 757 CE1 PHE X 45 96.460 -6.572 -9.713 1.00 1.00 C ATOM 758 CE2 PHE X 45 95.856 -5.460 -11.782 1.00 1.00 C ATOM 759 CZ PHE X 45 96.712 -5.593 -10.682 1.00 1.00 C ATOM 0 H PHE X 45 90.761 -9.350 -9.550 1.00 1.00 H new ATOM 0 HA PHE X 45 92.851 -7.480 -9.088 1.00 1.00 H new ATOM 0 HB2 PHE X 45 93.625 -9.235 -11.095 1.00 1.00 H new ATOM 0 HB3 PHE X 45 92.801 -8.008 -12.036 1.00 1.00 H new ATOM 0 HD1 PHE X 45 95.157 -8.172 -9.096 1.00 1.00 H new ATOM 0 HD2 PHE X 45 94.087 -6.202 -12.761 1.00 1.00 H new ATOM 0 HE1 PHE X 45 97.121 -6.675 -8.865 1.00 1.00 H new ATOM 0 HE2 PHE X 45 96.051 -4.705 -12.530 1.00 1.00 H new ATOM 0 HZ PHE X 45 97.567 -4.941 -10.581 1.00 1.00 H new ATOM 769 N PRO X 46 90.242 -7.584 -11.120 1.00 1.00 N ATOM 770 CA PRO X 46 89.107 -6.798 -11.683 1.00 1.00 C ATOM 771 C PRO X 46 88.274 -6.121 -10.592 1.00 1.00 C ATOM 772 O PRO X 46 88.039 -6.682 -9.545 1.00 1.00 O ATOM 773 CB PRO X 46 88.263 -7.843 -12.428 1.00 1.00 C ATOM 774 CG PRO X 46 89.157 -9.021 -12.624 1.00 1.00 C ATOM 775 CD PRO X 46 90.127 -9.002 -11.466 1.00 1.00 C ATOM 0 HA PRO X 46 89.459 -5.989 -12.323 1.00 1.00 H new ATOM 0 HB2 PRO X 46 87.379 -8.115 -11.852 1.00 1.00 H new ATOM 0 HB3 PRO X 46 87.913 -7.454 -13.384 1.00 1.00 H new ATOM 0 HG2 PRO X 46 88.584 -9.948 -12.638 1.00 1.00 H new ATOM 0 HG3 PRO X 46 89.684 -8.957 -13.576 1.00 1.00 H new ATOM 0 HD2 PRO X 46 89.756 -9.589 -10.626 1.00 1.00 H new ATOM 0 HD3 PRO X 46 91.092 -9.423 -11.747 1.00 1.00 H new ATOM 783 N GLN X 47 87.828 -4.916 -10.840 1.00 1.00 N ATOM 784 CA GLN X 47 87.011 -4.191 -9.822 1.00 1.00 C ATOM 785 C GLN X 47 85.627 -3.882 -10.397 1.00 1.00 C ATOM 786 O GLN X 47 85.409 -3.948 -11.590 1.00 1.00 O ATOM 787 CB GLN X 47 87.714 -2.886 -9.444 1.00 1.00 C ATOM 788 CG GLN X 47 88.027 -2.085 -10.708 1.00 1.00 C ATOM 789 CD GLN X 47 88.594 -0.719 -10.320 1.00 1.00 C ATOM 790 OE1 GLN X 47 88.987 -0.509 -9.191 1.00 1.00 O ATOM 791 NE2 GLN X 47 88.652 0.226 -11.218 1.00 1.00 N ATOM 0 H GLN X 47 87.995 -4.402 -11.705 1.00 1.00 H new ATOM 0 HA GLN X 47 86.899 -4.814 -8.935 1.00 1.00 H new ATOM 0 HB2 GLN X 47 87.081 -2.300 -8.778 1.00 1.00 H new ATOM 0 HB3 GLN X 47 88.634 -3.101 -8.901 1.00 1.00 H new ATOM 0 HG2 GLN X 47 88.744 -2.626 -11.326 1.00 1.00 H new ATOM 0 HG3 GLN X 47 87.123 -1.959 -11.305 1.00 1.00 H new ATOM 0 HE21 GLN X 47 88.322 0.049 -12.167 1.00 1.00 H new ATOM 0 HE22 GLN X 47 89.028 1.142 -10.971 1.00 1.00 H new ATOM 800 N GLU X 48 84.690 -3.540 -9.555 1.00 1.00 N ATOM 801 CA GLU X 48 83.320 -3.221 -10.048 1.00 1.00 C ATOM 802 C GLU X 48 83.322 -1.852 -10.731 1.00 1.00 C ATOM 803 O GLU X 48 84.216 -1.053 -10.535 1.00 1.00 O ATOM 804 CB GLU X 48 82.345 -3.204 -8.871 1.00 1.00 C ATOM 805 CG GLU X 48 82.122 -4.632 -8.371 1.00 1.00 C ATOM 806 CD GLU X 48 81.294 -4.600 -7.086 1.00 1.00 C ATOM 807 OE1 GLU X 48 81.054 -3.512 -6.587 1.00 1.00 O ATOM 808 OE2 GLU X 48 80.914 -5.662 -6.621 1.00 1.00 O ATOM 0 H GLU X 48 84.815 -3.468 -8.545 1.00 1.00 H new ATOM 0 HA GLU X 48 83.010 -3.980 -10.766 1.00 1.00 H new ATOM 0 HB2 GLU X 48 82.740 -2.584 -8.067 1.00 1.00 H new ATOM 0 HB3 GLU X 48 81.397 -2.763 -9.177 1.00 1.00 H new ATOM 0 HG2 GLU X 48 81.608 -5.219 -9.132 1.00 1.00 H new ATOM 0 HG3 GLU X 48 83.080 -5.118 -8.187 1.00 1.00 H new ATOM 815 N GLY X 49 82.330 -1.582 -11.537 1.00 1.00 N ATOM 816 CA GLY X 49 82.273 -0.270 -12.242 1.00 1.00 C ATOM 817 C GLY X 49 81.350 0.688 -11.493 1.00 1.00 C ATOM 818 O GLY X 49 81.201 1.831 -11.873 1.00 1.00 O ATOM 0 H GLY X 49 81.556 -2.215 -11.737 1.00 1.00 H new ATOM 0 HA2 GLY X 49 83.273 0.157 -12.313 1.00 1.00 H new ATOM 0 HA3 GLY X 49 81.914 -0.411 -13.261 1.00 1.00 H new ATOM 822 N THR X 50 80.729 0.232 -10.436 1.00 1.00 N ATOM 823 CA THR X 50 79.813 1.121 -9.663 1.00 1.00 C ATOM 824 C THR X 50 80.323 1.251 -8.232 1.00 1.00 C ATOM 825 O THR X 50 80.366 0.289 -7.493 1.00 1.00 O ATOM 826 CB THR X 50 78.407 0.518 -9.651 1.00 1.00 C ATOM 827 OG1 THR X 50 77.926 0.417 -10.985 1.00 1.00 O ATOM 828 CG2 THR X 50 77.476 1.418 -8.838 1.00 1.00 C ATOM 0 H THR X 50 80.817 -0.718 -10.075 1.00 1.00 H new ATOM 0 HA THR X 50 79.781 2.106 -10.129 1.00 1.00 H new ATOM 0 HB THR X 50 78.438 -0.474 -9.200 1.00 1.00 H new ATOM 0 HG1 THR X 50 77.026 0.029 -10.980 1.00 1.00 H new ATOM 0 HG21 THR X 50 76.474 0.990 -8.828 1.00 1.00 H new ATOM 0 HG22 THR X 50 77.847 1.497 -7.816 1.00 1.00 H new ATOM 0 HG23 THR X 50 77.443 2.410 -9.289 1.00 1.00 H new ATOM 836 N ILE X 51 80.700 2.438 -7.835 1.00 1.00 N ATOM 837 CA ILE X 51 81.198 2.632 -6.446 1.00 1.00 C ATOM 838 C ILE X 51 80.572 3.903 -5.860 1.00 1.00 C ATOM 839 O ILE X 51 80.574 4.951 -6.473 1.00 1.00 O ATOM 840 CB ILE X 51 82.728 2.759 -6.463 1.00 1.00 C ATOM 841 CG1 ILE X 51 83.303 2.171 -5.171 1.00 1.00 C ATOM 842 CG2 ILE X 51 83.139 4.237 -6.579 1.00 1.00 C ATOM 843 CD1 ILE X 51 82.648 2.831 -3.953 1.00 1.00 C ATOM 0 H ILE X 51 80.684 3.278 -8.413 1.00 1.00 H new ATOM 0 HA ILE X 51 80.920 1.776 -5.830 1.00 1.00 H new ATOM 0 HB ILE X 51 83.118 2.214 -7.323 1.00 1.00 H new ATOM 0 HG12 ILE X 51 83.134 1.095 -5.146 1.00 1.00 H new ATOM 0 HG13 ILE X 51 84.382 2.325 -5.141 1.00 1.00 H new ATOM 0 HG21 ILE X 51 84.226 4.313 -6.590 1.00 1.00 H new ATOM 0 HG22 ILE X 51 82.737 4.655 -7.502 1.00 1.00 H new ATOM 0 HG23 ILE X 51 82.745 4.792 -5.727 1.00 1.00 H new ATOM 0 HD11 ILE X 51 83.065 2.405 -3.040 1.00 1.00 H new ATOM 0 HD12 ILE X 51 82.840 3.904 -3.973 1.00 1.00 H new ATOM 0 HD13 ILE X 51 81.573 2.654 -3.978 1.00 1.00 H new ATOM 855 N ASP X 52 80.053 3.828 -4.669 1.00 1.00 N ATOM 856 CA ASP X 52 79.449 5.038 -4.046 1.00 1.00 C ATOM 857 C ASP X 52 80.554 6.018 -3.631 1.00 1.00 C ATOM 858 O ASP X 52 81.515 5.653 -2.983 1.00 1.00 O ATOM 859 CB ASP X 52 78.648 4.618 -2.808 1.00 1.00 C ATOM 860 CG ASP X 52 77.310 4.011 -3.244 1.00 1.00 C ATOM 861 OD1 ASP X 52 76.978 4.138 -4.410 1.00 1.00 O ATOM 862 OD2 ASP X 52 76.642 3.429 -2.403 1.00 1.00 O ATOM 0 H ASP X 52 80.020 2.983 -4.099 1.00 1.00 H new ATOM 0 HA ASP X 52 78.791 5.526 -4.765 1.00 1.00 H new ATOM 0 HB2 ASP X 52 79.215 3.893 -2.224 1.00 1.00 H new ATOM 0 HB3 ASP X 52 78.475 5.480 -2.164 1.00 1.00 H new ATOM 867 N ILE X 53 80.413 7.266 -3.984 1.00 1.00 N ATOM 868 CA ILE X 53 81.440 8.275 -3.600 1.00 1.00 C ATOM 869 C ILE X 53 81.460 8.433 -2.076 1.00 1.00 C ATOM 870 O ILE X 53 82.500 8.525 -1.460 1.00 1.00 O ATOM 871 CB ILE X 53 81.114 9.619 -4.248 1.00 1.00 C ATOM 872 CG1 ILE X 53 81.309 9.515 -5.762 1.00 1.00 C ATOM 873 CG2 ILE X 53 82.045 10.697 -3.689 1.00 1.00 C ATOM 874 CD1 ILE X 53 80.722 10.754 -6.441 1.00 1.00 C ATOM 0 H ILE X 53 79.628 7.631 -4.524 1.00 1.00 H new ATOM 0 HA ILE X 53 82.418 7.939 -3.944 1.00 1.00 H new ATOM 0 HB ILE X 53 80.079 9.884 -4.030 1.00 1.00 H new ATOM 0 HG12 ILE X 53 82.370 9.427 -5.997 1.00 1.00 H new ATOM 0 HG13 ILE X 53 80.823 8.616 -6.141 1.00 1.00 H new ATOM 0 HG21 ILE X 53 81.811 11.656 -4.152 1.00 1.00 H new ATOM 0 HG22 ILE X 53 81.908 10.772 -2.610 1.00 1.00 H new ATOM 0 HG23 ILE X 53 83.080 10.432 -3.906 1.00 1.00 H new ATOM 0 HD11 ILE X 53 80.862 10.678 -7.519 1.00 1.00 H new ATOM 0 HD12 ILE X 53 79.657 10.822 -6.217 1.00 1.00 H new ATOM 0 HD13 ILE X 53 81.228 11.646 -6.071 1.00 1.00 H new ATOM 886 N LYS X 54 80.314 8.478 -1.461 1.00 1.00 N ATOM 887 CA LYS X 54 80.277 8.645 0.019 1.00 1.00 C ATOM 888 C LYS X 54 81.067 7.515 0.678 1.00 1.00 C ATOM 889 O LYS X 54 81.809 7.732 1.616 1.00 1.00 O ATOM 890 CB LYS X 54 78.822 8.586 0.496 1.00 1.00 C ATOM 891 CG LYS X 54 78.083 9.856 0.064 1.00 1.00 C ATOM 892 CD LYS X 54 78.273 10.947 1.123 1.00 1.00 C ATOM 893 CE LYS X 54 77.514 12.205 0.702 1.00 1.00 C ATOM 894 NZ LYS X 54 77.747 13.282 1.704 1.00 1.00 N ATOM 0 H LYS X 54 79.404 8.407 -1.915 1.00 1.00 H new ATOM 0 HA LYS X 54 80.717 9.605 0.290 1.00 1.00 H new ATOM 0 HB2 LYS X 54 78.329 7.708 0.080 1.00 1.00 H new ATOM 0 HB3 LYS X 54 78.789 8.486 1.581 1.00 1.00 H new ATOM 0 HG2 LYS X 54 78.462 10.200 -0.899 1.00 1.00 H new ATOM 0 HG3 LYS X 54 77.022 9.644 -0.068 1.00 1.00 H new ATOM 0 HD2 LYS X 54 77.910 10.597 2.090 1.00 1.00 H new ATOM 0 HD3 LYS X 54 79.333 11.172 1.242 1.00 1.00 H new ATOM 0 HE2 LYS X 54 77.847 12.531 -0.283 1.00 1.00 H new ATOM 0 HE3 LYS X 54 76.448 11.991 0.623 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 77.231 14.139 1.419 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 77.409 12.968 2.636 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 78.764 13.492 1.758 1.00 1.00 H new ATOM 908 N PHE X 55 80.917 6.313 0.200 1.00 1.00 N ATOM 909 CA PHE X 55 81.664 5.173 0.802 1.00 1.00 C ATOM 910 C PHE X 55 83.118 5.201 0.330 1.00 1.00 C ATOM 911 O PHE X 55 84.001 4.670 0.975 1.00 1.00 O ATOM 912 CB PHE X 55 81.010 3.855 0.379 1.00 1.00 C ATOM 913 CG PHE X 55 81.769 2.697 0.979 1.00 1.00 C ATOM 914 CD1 PHE X 55 81.663 2.427 2.349 1.00 1.00 C ATOM 915 CD2 PHE X 55 82.577 1.893 0.167 1.00 1.00 C ATOM 916 CE1 PHE X 55 82.365 1.351 2.907 1.00 1.00 C ATOM 917 CE2 PHE X 55 83.278 0.817 0.724 1.00 1.00 C ATOM 918 CZ PHE X 55 83.172 0.547 2.094 1.00 1.00 C ATOM 0 H PHE X 55 80.309 6.069 -0.582 1.00 1.00 H new ATOM 0 HA PHE X 55 81.639 5.258 1.888 1.00 1.00 H new ATOM 0 HB2 PHE X 55 79.971 3.831 0.708 1.00 1.00 H new ATOM 0 HB3 PHE X 55 81.002 3.774 -0.708 1.00 1.00 H new ATOM 0 HD1 PHE X 55 81.040 3.048 2.975 1.00 1.00 H new ATOM 0 HD2 PHE X 55 82.660 2.103 -0.889 1.00 1.00 H new ATOM 0 HE1 PHE X 55 82.284 1.142 3.963 1.00 1.00 H new ATOM 0 HE2 PHE X 55 83.900 0.195 0.097 1.00 1.00 H new ATOM 0 HZ PHE X 55 83.714 -0.283 2.524 1.00 1.00 H new ATOM 928 N TRP X 56 83.377 5.812 -0.792 1.00 1.00 N ATOM 929 CA TRP X 56 84.774 5.865 -1.304 1.00 1.00 C ATOM 930 C TRP X 56 85.670 6.563 -0.280 1.00 1.00 C ATOM 931 O TRP X 56 86.806 6.184 -0.075 1.00 1.00 O ATOM 932 CB TRP X 56 84.812 6.633 -2.626 1.00 1.00 C ATOM 933 CG TRP X 56 86.225 6.981 -2.963 1.00 1.00 C ATOM 934 CD1 TRP X 56 87.302 6.209 -2.686 1.00 1.00 C ATOM 935 CD2 TRP X 56 86.734 8.169 -3.634 1.00 1.00 C ATOM 936 NE1 TRP X 56 88.439 6.849 -3.145 1.00 1.00 N ATOM 937 CE2 TRP X 56 88.141 8.061 -3.736 1.00 1.00 C ATOM 938 CE3 TRP X 56 86.118 9.319 -4.158 1.00 1.00 C ATOM 939 CZ2 TRP X 56 88.909 9.058 -4.338 1.00 1.00 C ATOM 940 CZ3 TRP X 56 86.887 10.325 -4.764 1.00 1.00 C ATOM 941 CH2 TRP X 56 88.281 10.195 -4.854 1.00 1.00 C ATOM 0 H TRP X 56 82.682 6.277 -1.376 1.00 1.00 H new ATOM 0 HA TRP X 56 85.134 4.849 -1.468 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.376 6.029 -3.422 1.00 1.00 H new ATOM 0 HB3 TRP X 56 84.212 7.540 -2.549 1.00 1.00 H new ATOM 0 HD1 TRP X 56 87.277 5.251 -2.188 1.00 1.00 H new ATOM 0 HE1 TRP X 56 89.383 6.472 -3.058 1.00 1.00 H new ATOM 0 HE3 TRP X 56 85.046 9.429 -4.094 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 89.982 8.952 -4.405 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 86.403 11.204 -5.163 1.00 1.00 H new ATOM 0 HH2 TRP X 56 88.868 10.972 -5.321 1.00 1.00 H new ATOM 952 N ARG X 57 85.176 7.589 0.355 1.00 1.00 N ATOM 953 CA ARG X 57 86.011 8.319 1.350 1.00 1.00 C ATOM 954 C ARG X 57 86.488 7.338 2.424 1.00 1.00 C ATOM 955 O ARG X 57 87.640 7.339 2.810 1.00 1.00 O ATOM 956 CB ARG X 57 85.169 9.414 2.007 1.00 1.00 C ATOM 957 CG ARG X 57 84.641 10.370 0.933 1.00 1.00 C ATOM 958 CD ARG X 57 85.808 11.103 0.271 1.00 1.00 C ATOM 959 NE ARG X 57 85.342 12.424 -0.233 1.00 1.00 N ATOM 960 CZ ARG X 57 86.005 13.034 -1.177 1.00 1.00 C ATOM 961 NH1 ARG X 57 87.071 12.481 -1.689 1.00 1.00 N ATOM 962 NH2 ARG X 57 85.600 14.195 -1.612 1.00 1.00 N ATOM 0 H ARG X 57 84.232 7.953 0.229 1.00 1.00 H new ATOM 0 HA ARG X 57 86.871 8.766 0.851 1.00 1.00 H new ATOM 0 HB2 ARG X 57 84.337 8.969 2.553 1.00 1.00 H new ATOM 0 HB3 ARG X 57 85.769 9.962 2.733 1.00 1.00 H new ATOM 0 HG2 ARG X 57 84.077 9.814 0.184 1.00 1.00 H new ATOM 0 HG3 ARG X 57 83.954 11.089 1.379 1.00 1.00 H new ATOM 0 HD2 ARG X 57 86.618 11.240 0.987 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.206 10.508 -0.551 1.00 1.00 H new ATOM 0 HE ARG X 57 84.504 12.853 0.160 1.00 1.00 H new ATOM 0 HH11 ARG X 57 87.386 11.572 -1.351 1.00 1.00 H new ATOM 0 HH12 ARG X 57 87.589 12.958 -2.427 1.00 1.00 H new ATOM 0 HH21 ARG X 57 84.765 14.626 -1.214 1.00 1.00 H new ATOM 0 HH22 ARG X 57 86.118 14.672 -2.350 1.00 1.00 H new ATOM 976 N ARG X 58 85.615 6.496 2.905 1.00 1.00 N ATOM 977 CA ARG X 58 86.025 5.513 3.948 1.00 1.00 C ATOM 978 C ARG X 58 87.016 4.513 3.346 1.00 1.00 C ATOM 979 O ARG X 58 87.971 4.112 3.980 1.00 1.00 O ATOM 980 CB ARG X 58 84.792 4.763 4.455 1.00 1.00 C ATOM 981 CG ARG X 58 83.888 5.731 5.220 1.00 1.00 C ATOM 982 CD ARG X 58 82.598 5.016 5.625 1.00 1.00 C ATOM 983 NE ARG X 58 82.914 3.934 6.599 1.00 1.00 N ATOM 984 CZ ARG X 58 83.111 4.228 7.857 1.00 1.00 C ATOM 985 NH1 ARG X 58 83.031 5.467 8.257 1.00 1.00 N ATOM 986 NH2 ARG X 58 83.386 3.282 8.712 1.00 1.00 N ATOM 0 H ARG X 58 84.636 6.446 2.621 1.00 1.00 H new ATOM 0 HA ARG X 58 86.497 6.040 4.777 1.00 1.00 H new ATOM 0 HB2 ARG X 58 84.249 4.326 3.617 1.00 1.00 H new ATOM 0 HB3 ARG X 58 85.094 3.941 5.103 1.00 1.00 H new ATOM 0 HG2 ARG X 58 84.403 6.103 6.106 1.00 1.00 H new ATOM 0 HG3 ARG X 58 83.657 6.596 4.599 1.00 1.00 H new ATOM 0 HD2 ARG X 58 81.900 5.726 6.068 1.00 1.00 H new ATOM 0 HD3 ARG X 58 82.110 4.597 4.745 1.00 1.00 H new ATOM 0 HE ARG X 58 82.976 2.966 6.285 1.00 1.00 H new ATOM 0 HH11 ARG X 58 82.815 6.206 7.588 1.00 1.00 H new ATOM 0 HH12 ARG X 58 83.185 5.697 9.239 1.00 1.00 H new ATOM 0 HH21 ARG X 58 83.447 2.313 8.399 1.00 1.00 H new ATOM 0 HH22 ARG X 58 83.540 3.511 9.694 1.00 1.00 H new ATOM 1000 N VAL X 59 86.795 4.108 2.126 1.00 1.00 N ATOM 1001 CA VAL X 59 87.720 3.132 1.485 1.00 1.00 C ATOM 1002 C VAL X 59 89.113 3.749 1.373 1.00 1.00 C ATOM 1003 O VAL X 59 90.109 3.114 1.652 1.00 1.00 O ATOM 1004 CB VAL X 59 87.204 2.778 0.088 1.00 1.00 C ATOM 1005 CG1 VAL X 59 88.260 1.958 -0.655 1.00 1.00 C ATOM 1006 CG2 VAL X 59 85.918 1.957 0.213 1.00 1.00 C ATOM 0 H VAL X 59 86.013 4.411 1.545 1.00 1.00 H new ATOM 0 HA VAL X 59 87.770 2.228 2.092 1.00 1.00 H new ATOM 0 HB VAL X 59 87.000 3.694 -0.466 1.00 1.00 H new ATOM 0 HG11 VAL X 59 87.892 1.706 -1.650 1.00 1.00 H new ATOM 0 HG12 VAL X 59 89.177 2.541 -0.744 1.00 1.00 H new ATOM 0 HG13 VAL X 59 88.465 1.042 -0.101 1.00 1.00 H new ATOM 0 HG21 VAL X 59 85.550 1.704 -0.781 1.00 1.00 H new ATOM 0 HG22 VAL X 59 86.123 1.041 0.767 1.00 1.00 H new ATOM 0 HG23 VAL X 59 85.164 2.540 0.742 1.00 1.00 H new ATOM 1016 N GLY X 60 89.193 4.985 0.962 1.00 1.00 N ATOM 1017 CA GLY X 60 90.525 5.640 0.827 1.00 1.00 C ATOM 1018 C GLY X 60 91.261 5.586 2.167 1.00 1.00 C ATOM 1019 O GLY X 60 92.409 5.198 2.238 1.00 1.00 O ATOM 0 H GLY X 60 88.394 5.569 0.714 1.00 1.00 H new ATOM 0 HA2 GLY X 60 91.112 5.138 0.058 1.00 1.00 H new ATOM 0 HA3 GLY X 60 90.402 6.675 0.510 1.00 1.00 H new ATOM 1023 N ASP X 61 90.608 5.967 3.230 1.00 1.00 N ATOM 1024 CA ASP X 61 91.273 5.930 4.563 1.00 1.00 C ATOM 1025 C ASP X 61 91.577 4.479 4.942 1.00 1.00 C ATOM 1026 O ASP X 61 92.583 4.186 5.558 1.00 1.00 O ATOM 1027 CB ASP X 61 90.349 6.552 5.612 1.00 1.00 C ATOM 1028 CG ASP X 61 91.084 6.644 6.951 1.00 1.00 C ATOM 1029 OD1 ASP X 61 92.177 6.110 7.042 1.00 1.00 O ATOM 1030 OD2 ASP X 61 90.542 7.248 7.861 1.00 1.00 O ATOM 0 H ASP X 61 89.645 6.302 3.234 1.00 1.00 H new ATOM 0 HA ASP X 61 92.204 6.495 4.521 1.00 1.00 H new ATOM 0 HB2 ASP X 61 90.032 7.544 5.290 1.00 1.00 H new ATOM 0 HB3 ASP X 61 89.447 5.949 5.721 1.00 1.00 H new ATOM 1035 N CYS X 62 90.712 3.569 4.587 1.00 1.00 N ATOM 1036 CA CYS X 62 90.950 2.140 4.935 1.00 1.00 C ATOM 1037 C CYS X 62 92.174 1.621 4.177 1.00 1.00 C ATOM 1038 O CYS X 62 93.113 1.125 4.765 1.00 1.00 O ATOM 1039 CB CYS X 62 89.724 1.312 4.545 1.00 1.00 C ATOM 1040 SG CYS X 62 88.284 1.888 5.476 1.00 1.00 S ATOM 0 H CYS X 62 89.851 3.753 4.071 1.00 1.00 H new ATOM 0 HA CYS X 62 91.126 2.054 6.007 1.00 1.00 H new ATOM 0 HB2 CYS X 62 89.538 1.401 3.475 1.00 1.00 H new ATOM 0 HB3 CYS X 62 89.905 0.257 4.750 1.00 1.00 H new ATOM 0 HG CYS X 62 87.917 3.053 5.031 1.00 1.00 H new ATOM 1046 N PHE X 63 92.175 1.741 2.879 1.00 1.00 N ATOM 1047 CA PHE X 63 93.340 1.261 2.084 1.00 1.00 C ATOM 1048 C PHE X 63 94.593 2.034 2.495 1.00 1.00 C ATOM 1049 O PHE X 63 95.675 1.486 2.567 1.00 1.00 O ATOM 1050 CB PHE X 63 93.068 1.473 0.595 1.00 1.00 C ATOM 1051 CG PHE X 63 92.513 0.201 -0.004 1.00 1.00 C ATOM 1052 CD1 PHE X 63 91.431 -0.446 0.605 1.00 1.00 C ATOM 1053 CD2 PHE X 63 93.080 -0.329 -1.168 1.00 1.00 C ATOM 1054 CE1 PHE X 63 90.917 -1.623 0.050 1.00 1.00 C ATOM 1055 CE2 PHE X 63 92.566 -1.506 -1.724 1.00 1.00 C ATOM 1056 CZ PHE X 63 91.485 -2.154 -1.115 1.00 1.00 C ATOM 0 H PHE X 63 91.418 2.152 2.333 1.00 1.00 H new ATOM 0 HA PHE X 63 93.494 0.199 2.273 1.00 1.00 H new ATOM 0 HB2 PHE X 63 92.361 2.291 0.457 1.00 1.00 H new ATOM 0 HB3 PHE X 63 93.988 1.757 0.084 1.00 1.00 H new ATOM 0 HD1 PHE X 63 90.993 -0.036 1.503 1.00 1.00 H new ATOM 0 HD2 PHE X 63 93.915 0.170 -1.638 1.00 1.00 H new ATOM 0 HE1 PHE X 63 90.082 -2.122 0.520 1.00 1.00 H new ATOM 0 HE2 PHE X 63 93.003 -1.914 -2.623 1.00 1.00 H new ATOM 0 HZ PHE X 63 91.089 -3.063 -1.543 1.00 1.00 H new ATOM 1066 N GLN X 64 94.457 3.302 2.765 1.00 1.00 N ATOM 1067 CA GLN X 64 95.640 4.110 3.170 1.00 1.00 C ATOM 1068 C GLN X 64 96.179 3.585 4.503 1.00 1.00 C ATOM 1069 O GLN X 64 97.372 3.531 4.720 1.00 1.00 O ATOM 1070 CB GLN X 64 95.227 5.575 3.328 1.00 1.00 C ATOM 1071 CG GLN X 64 96.466 6.427 3.602 1.00 1.00 C ATOM 1072 CD GLN X 64 96.069 7.903 3.668 1.00 1.00 C ATOM 1073 OE1 GLN X 64 95.285 8.296 4.509 1.00 1.00 O ATOM 1074 NE2 GLN X 64 96.578 8.742 2.808 1.00 1.00 N ATOM 0 H GLN X 64 93.576 3.814 2.723 1.00 1.00 H new ATOM 0 HA GLN X 64 96.414 4.032 2.407 1.00 1.00 H new ATOM 0 HB2 GLN X 64 94.726 5.922 2.424 1.00 1.00 H new ATOM 0 HB3 GLN X 64 94.514 5.677 4.146 1.00 1.00 H new ATOM 0 HG2 GLN X 64 96.929 6.122 4.540 1.00 1.00 H new ATOM 0 HG3 GLN X 64 97.206 6.274 2.817 1.00 1.00 H new ATOM 0 HE21 GLN X 64 97.236 8.412 2.102 1.00 1.00 H new ATOM 0 HE22 GLN X 64 96.318 9.728 2.842 1.00 1.00 H new ATOM 1083 N ASP X 65 95.309 3.201 5.396 1.00 1.00 N ATOM 1084 CA ASP X 65 95.778 2.683 6.712 1.00 1.00 C ATOM 1085 C ASP X 65 96.609 1.417 6.494 1.00 1.00 C ATOM 1086 O ASP X 65 97.649 1.233 7.095 1.00 1.00 O ATOM 1087 CB ASP X 65 94.571 2.352 7.592 1.00 1.00 C ATOM 1088 CG ASP X 65 93.910 3.649 8.064 1.00 1.00 C ATOM 1089 OD1 ASP X 65 94.461 4.703 7.791 1.00 1.00 O ATOM 1090 OD2 ASP X 65 92.869 3.565 8.693 1.00 1.00 O ATOM 0 H ASP X 65 94.297 3.223 5.272 1.00 1.00 H new ATOM 0 HA ASP X 65 96.388 3.441 7.203 1.00 1.00 H new ATOM 0 HB2 ASP X 65 93.855 1.749 7.033 1.00 1.00 H new ATOM 0 HB3 ASP X 65 94.886 1.759 8.451 1.00 1.00 H new ATOM 1095 N TYR X 66 96.161 0.545 5.633 1.00 1.00 N ATOM 1096 CA TYR X 66 96.924 -0.705 5.369 1.00 1.00 C ATOM 1097 C TYR X 66 98.269 -0.359 4.732 1.00 1.00 C ATOM 1098 O TYR X 66 99.267 -1.006 4.975 1.00 1.00 O ATOM 1099 CB TYR X 66 96.127 -1.608 4.427 1.00 1.00 C ATOM 1100 CG TYR X 66 94.994 -2.257 5.187 1.00 1.00 C ATOM 1101 CD1 TYR X 66 95.268 -3.244 6.143 1.00 1.00 C ATOM 1102 CD2 TYR X 66 93.672 -1.875 4.936 1.00 1.00 C ATOM 1103 CE1 TYR X 66 94.219 -3.847 6.847 1.00 1.00 C ATOM 1104 CE2 TYR X 66 92.622 -2.477 5.640 1.00 1.00 C ATOM 1105 CZ TYR X 66 92.896 -3.465 6.595 1.00 1.00 C ATOM 1106 OH TYR X 66 91.862 -4.059 7.289 1.00 1.00 O ATOM 0 H TYR X 66 95.297 0.646 5.100 1.00 1.00 H new ATOM 0 HA TYR X 66 97.093 -1.228 6.310 1.00 1.00 H new ATOM 0 HB2 TYR X 66 95.733 -1.025 3.594 1.00 1.00 H new ATOM 0 HB3 TYR X 66 96.778 -2.372 4.002 1.00 1.00 H new ATOM 0 HD1 TYR X 66 96.289 -3.540 6.337 1.00 1.00 H new ATOM 0 HD2 TYR X 66 93.461 -1.115 4.198 1.00 1.00 H new ATOM 0 HE1 TYR X 66 94.430 -4.607 7.585 1.00 1.00 H new ATOM 0 HE2 TYR X 66 91.602 -2.180 5.447 1.00 1.00 H new ATOM 0 HH TYR X 66 91.009 -3.678 6.994 1.00 1.00 H new ATOM 1116 N TYR X 67 98.302 0.655 3.908 1.00 1.00 N ATOM 1117 CA TYR X 67 99.583 1.034 3.255 1.00 1.00 C ATOM 1118 C TYR X 67 100.605 1.443 4.316 1.00 1.00 C ATOM 1119 O TYR X 67 101.690 0.919 4.380 1.00 1.00 O ATOM 1120 CB TYR X 67 99.339 2.216 2.312 1.00 1.00 C ATOM 1121 CG TYR X 67 100.568 3.092 2.275 1.00 1.00 C ATOM 1122 CD1 TYR X 67 101.658 2.740 1.470 1.00 1.00 C ATOM 1123 CD2 TYR X 67 100.617 4.257 3.050 1.00 1.00 C ATOM 1124 CE1 TYR X 67 102.797 3.554 1.439 1.00 1.00 C ATOM 1125 CE2 TYR X 67 101.755 5.071 3.019 1.00 1.00 C ATOM 1126 CZ TYR X 67 102.846 4.719 2.214 1.00 1.00 C ATOM 1127 OH TYR X 67 103.967 5.522 2.183 1.00 1.00 O ATOM 0 H TYR X 67 97.499 1.233 3.661 1.00 1.00 H new ATOM 0 HA TYR X 67 99.966 0.182 2.693 1.00 1.00 H new ATOM 0 HB2 TYR X 67 99.107 1.854 1.310 1.00 1.00 H new ATOM 0 HB3 TYR X 67 98.478 2.793 2.650 1.00 1.00 H new ATOM 0 HD1 TYR X 67 101.620 1.841 0.873 1.00 1.00 H new ATOM 0 HD2 TYR X 67 99.776 4.528 3.672 1.00 1.00 H new ATOM 0 HE1 TYR X 67 103.638 3.283 0.817 1.00 1.00 H new ATOM 0 HE2 TYR X 67 101.792 5.970 3.616 1.00 1.00 H new ATOM 0 HH TYR X 67 103.836 6.290 2.777 1.00 1.00 H new ATOM 1137 N ASN X 68 100.261 2.368 5.158 1.00 1.00 N ATOM 1138 CA ASN X 68 101.218 2.804 6.213 1.00 1.00 C ATOM 1139 C ASN X 68 101.496 1.644 7.166 1.00 1.00 C ATOM 1140 O ASN X 68 102.588 1.492 7.676 1.00 1.00 O ATOM 1141 CB ASN X 68 100.625 3.981 6.988 1.00 1.00 C ATOM 1142 CG ASN X 68 101.544 4.341 8.156 1.00 1.00 C ATOM 1143 OD1 ASN X 68 102.624 3.797 8.286 1.00 1.00 O ATOM 1144 ND2 ASN X 68 101.160 5.241 9.019 1.00 1.00 N ATOM 0 H ASN X 68 99.359 2.844 5.165 1.00 1.00 H new ATOM 0 HA ASN X 68 102.153 3.115 5.747 1.00 1.00 H new ATOM 0 HB2 ASN X 68 100.505 4.840 6.328 1.00 1.00 H new ATOM 0 HB3 ASN X 68 99.633 3.723 7.359 1.00 1.00 H new ATOM 0 HD21 ASN X 68 101.765 5.488 9.802 1.00 1.00 H new ATOM 0 HD22 ASN X 68 100.254 5.698 8.911 1.00 1.00 H new ATOM 1151 N THR X 69 100.507 0.834 7.428 1.00 1.00 N ATOM 1152 CA THR X 69 100.710 -0.304 8.363 1.00 1.00 C ATOM 1153 C THR X 69 101.672 -1.315 7.742 1.00 1.00 C ATOM 1154 O THR X 69 102.575 -1.799 8.396 1.00 1.00 O ATOM 1155 CB THR X 69 99.365 -0.985 8.636 1.00 1.00 C ATOM 1156 OG1 THR X 69 98.477 -0.045 9.229 1.00 1.00 O ATOM 1157 CG2 THR X 69 99.567 -2.161 9.596 1.00 1.00 C ATOM 0 H THR X 69 99.569 0.912 7.035 1.00 1.00 H new ATOM 0 HA THR X 69 101.129 0.068 9.298 1.00 1.00 H new ATOM 0 HB THR X 69 98.947 -1.351 7.698 1.00 1.00 H new ATOM 0 HG1 THR X 69 98.232 0.636 8.568 1.00 1.00 H new ATOM 0 HG21 THR X 69 98.608 -2.643 9.788 1.00 1.00 H new ATOM 0 HG22 THR X 69 100.252 -2.881 9.150 1.00 1.00 H new ATOM 0 HG23 THR X 69 99.984 -1.797 10.535 1.00 1.00 H new ATOM 1165 N PHE X 70 101.470 -1.652 6.495 1.00 1.00 N ATOM 1166 CA PHE X 70 102.358 -2.649 5.832 1.00 1.00 C ATOM 1167 C PHE X 70 103.132 -1.983 4.701 1.00 1.00 C ATOM 1168 O PHE X 70 104.340 -2.087 4.623 1.00 1.00 O ATOM 1169 CB PHE X 70 101.501 -3.786 5.264 1.00 1.00 C ATOM 1170 CG PHE X 70 100.935 -4.611 6.396 1.00 1.00 C ATOM 1171 CD1 PHE X 70 101.746 -5.547 7.051 1.00 1.00 C ATOM 1172 CD2 PHE X 70 99.603 -4.442 6.791 1.00 1.00 C ATOM 1173 CE1 PHE X 70 101.224 -6.312 8.100 1.00 1.00 C ATOM 1174 CE2 PHE X 70 99.081 -5.207 7.841 1.00 1.00 C ATOM 1175 CZ PHE X 70 99.892 -6.143 8.495 1.00 1.00 C ATOM 0 H PHE X 70 100.726 -1.278 5.906 1.00 1.00 H new ATOM 0 HA PHE X 70 103.064 -3.047 6.561 1.00 1.00 H new ATOM 0 HB2 PHE X 70 100.692 -3.377 4.659 1.00 1.00 H new ATOM 0 HB3 PHE X 70 102.103 -4.415 4.608 1.00 1.00 H new ATOM 0 HD1 PHE X 70 102.774 -5.678 6.746 1.00 1.00 H new ATOM 0 HD2 PHE X 70 98.977 -3.721 6.286 1.00 1.00 H new ATOM 0 HE1 PHE X 70 101.849 -7.033 8.605 1.00 1.00 H new ATOM 0 HE2 PHE X 70 98.053 -5.075 8.146 1.00 1.00 H new ATOM 0 HZ PHE X 70 99.490 -6.734 9.304 1.00 1.00 H new ATOM 1185 N GLY X 71 102.446 -1.310 3.816 1.00 1.00 N ATOM 1186 CA GLY X 71 103.143 -0.645 2.674 1.00 1.00 C ATOM 1187 C GLY X 71 102.335 -0.866 1.394 1.00 1.00 C ATOM 1188 O GLY X 71 101.212 -1.334 1.429 1.00 1.00 O ATOM 0 H GLY X 71 101.433 -1.191 3.834 1.00 1.00 H new ATOM 0 HA2 GLY X 71 103.252 0.422 2.870 1.00 1.00 H new ATOM 0 HA3 GLY X 71 104.148 -1.052 2.559 1.00 1.00 H new ATOM 1192 N PRO X 72 102.912 -0.538 0.274 1.00 1.00 N ATOM 1193 CA PRO X 72 102.254 -0.695 -1.052 1.00 1.00 C ATOM 1194 C PRO X 72 101.958 -2.162 -1.375 1.00 1.00 C ATOM 1195 O PRO X 72 101.096 -2.468 -2.173 1.00 1.00 O ATOM 1196 CB PRO X 72 103.260 -0.115 -2.056 1.00 1.00 C ATOM 1197 CG PRO X 72 104.299 0.601 -1.253 1.00 1.00 C ATOM 1198 CD PRO X 72 104.264 0.018 0.156 1.00 1.00 C ATOM 0 HA PRO X 72 101.289 -0.188 -1.079 1.00 1.00 H new ATOM 0 HB2 PRO X 72 103.710 -0.907 -2.655 1.00 1.00 H new ATOM 0 HB3 PRO X 72 102.767 0.567 -2.749 1.00 1.00 H new ATOM 0 HG2 PRO X 72 105.286 0.472 -1.698 1.00 1.00 H new ATOM 0 HG3 PRO X 72 104.097 1.672 -1.231 1.00 1.00 H new ATOM 0 HD2 PRO X 72 105.025 -0.751 0.289 1.00 1.00 H new ATOM 0 HD3 PRO X 72 104.448 0.783 0.910 1.00 1.00 H new ATOM 1206 N GLU X 73 102.669 -3.071 -0.765 1.00 1.00 N ATOM 1207 CA GLU X 73 102.427 -4.513 -1.047 1.00 1.00 C ATOM 1208 C GLU X 73 100.946 -4.829 -0.835 1.00 1.00 C ATOM 1209 O GLU X 73 100.288 -5.369 -1.702 1.00 1.00 O ATOM 1210 CB GLU X 73 103.271 -5.366 -0.095 1.00 1.00 C ATOM 1211 CG GLU X 73 104.753 -5.202 -0.436 1.00 1.00 C ATOM 1212 CD GLU X 73 105.599 -5.978 0.575 1.00 1.00 C ATOM 1213 OE1 GLU X 73 105.021 -6.581 1.464 1.00 1.00 O ATOM 1214 OE2 GLU X 73 106.812 -5.955 0.443 1.00 1.00 O ATOM 0 H GLU X 73 103.405 -2.877 -0.086 1.00 1.00 H new ATOM 0 HA GLU X 73 102.704 -4.735 -2.078 1.00 1.00 H new ATOM 0 HB2 GLU X 73 103.089 -5.065 0.937 1.00 1.00 H new ATOM 0 HB3 GLU X 73 102.982 -6.414 -0.177 1.00 1.00 H new ATOM 0 HG2 GLU X 73 104.947 -5.567 -1.445 1.00 1.00 H new ATOM 0 HG3 GLU X 73 105.026 -4.147 -0.421 1.00 1.00 H new ATOM 1221 N LYS X 74 100.416 -4.493 0.306 1.00 1.00 N ATOM 1222 CA LYS X 74 98.978 -4.768 0.566 1.00 1.00 C ATOM 1223 C LYS X 74 98.116 -3.937 -0.377 1.00 1.00 C ATOM 1224 O LYS X 74 97.158 -4.425 -0.943 1.00 1.00 O ATOM 1225 CB LYS X 74 98.647 -4.407 2.017 1.00 1.00 C ATOM 1226 CG LYS X 74 99.494 -5.253 2.972 1.00 1.00 C ATOM 1227 CD LYS X 74 99.208 -6.737 2.740 1.00 1.00 C ATOM 1228 CE LYS X 74 99.524 -7.524 4.008 1.00 1.00 C ATOM 1229 NZ LYS X 74 99.234 -8.967 3.776 1.00 1.00 N ATOM 0 H LYS X 74 100.917 -4.040 1.070 1.00 1.00 H new ATOM 0 HA LYS X 74 98.775 -5.826 0.397 1.00 1.00 H new ATOM 0 HB2 LYS X 74 98.838 -3.348 2.190 1.00 1.00 H new ATOM 0 HB3 LYS X 74 97.588 -4.576 2.210 1.00 1.00 H new ATOM 0 HG2 LYS X 74 100.553 -5.048 2.813 1.00 1.00 H new ATOM 0 HG3 LYS X 74 99.270 -4.987 4.005 1.00 1.00 H new ATOM 0 HD2 LYS X 74 98.163 -6.877 2.464 1.00 1.00 H new ATOM 0 HD3 LYS X 74 99.810 -7.108 1.910 1.00 1.00 H new ATOM 0 HE2 LYS X 74 100.571 -7.391 4.281 1.00 1.00 H new ATOM 0 HE3 LYS X 74 98.927 -7.150 4.840 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 99.448 -9.507 4.638 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 98.229 -9.085 3.534 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 99.822 -9.318 2.993 1.00 1.00 H new ATOM 1243 N VAL X 75 98.448 -2.689 -0.549 1.00 1.00 N ATOM 1244 CA VAL X 75 97.648 -1.818 -1.457 1.00 1.00 C ATOM 1245 C VAL X 75 98.594 -0.937 -2.275 1.00 1.00 C ATOM 1246 O VAL X 75 98.863 0.194 -1.926 1.00 1.00 O ATOM 1247 CB VAL X 75 96.716 -0.937 -0.632 1.00 1.00 C ATOM 1248 CG1 VAL X 75 95.571 -1.789 -0.082 1.00 1.00 C ATOM 1249 CG2 VAL X 75 97.494 -0.316 0.527 1.00 1.00 C ATOM 0 H VAL X 75 99.241 -2.232 -0.099 1.00 1.00 H new ATOM 0 HA VAL X 75 97.055 -2.439 -2.128 1.00 1.00 H new ATOM 0 HB VAL X 75 96.311 -0.144 -1.261 1.00 1.00 H new ATOM 0 HG11 VAL X 75 94.902 -1.163 0.509 1.00 1.00 H new ATOM 0 HG12 VAL X 75 95.017 -2.232 -0.910 1.00 1.00 H new ATOM 0 HG13 VAL X 75 95.977 -2.581 0.548 1.00 1.00 H new ATOM 0 HG21 VAL X 75 96.828 0.314 1.117 1.00 1.00 H new ATOM 0 HG22 VAL X 75 97.899 -1.107 1.158 1.00 1.00 H new ATOM 0 HG23 VAL X 75 98.311 0.289 0.134 1.00 1.00 H new ATOM 1259 N PRO X 76 99.094 -1.457 -3.363 1.00 1.00 N ATOM 1260 CA PRO X 76 100.019 -0.712 -4.264 1.00 1.00 C ATOM 1261 C PRO X 76 99.378 0.554 -4.828 1.00 1.00 C ATOM 1262 O PRO X 76 98.174 0.643 -4.967 1.00 1.00 O ATOM 1263 CB PRO X 76 100.318 -1.712 -5.389 1.00 1.00 C ATOM 1264 CG PRO X 76 99.986 -3.051 -4.823 1.00 1.00 C ATOM 1265 CD PRO X 76 98.837 -2.816 -3.860 1.00 1.00 C ATOM 0 HA PRO X 76 100.911 -0.372 -3.738 1.00 1.00 H new ATOM 0 HB2 PRO X 76 99.718 -1.499 -6.274 1.00 1.00 H new ATOM 0 HB3 PRO X 76 101.364 -1.661 -5.693 1.00 1.00 H new ATOM 0 HG2 PRO X 76 99.701 -3.749 -5.610 1.00 1.00 H new ATOM 0 HG3 PRO X 76 100.845 -3.483 -4.310 1.00 1.00 H new ATOM 0 HD2 PRO X 76 97.871 -2.887 -4.360 1.00 1.00 H new ATOM 0 HD3 PRO X 76 98.832 -3.547 -3.052 1.00 1.00 H new ATOM 1273 N VAL X 77 100.171 1.540 -5.155 1.00 1.00 N ATOM 1274 CA VAL X 77 99.605 2.802 -5.709 1.00 1.00 C ATOM 1275 C VAL X 77 98.681 2.480 -6.888 1.00 1.00 C ATOM 1276 O VAL X 77 98.044 3.350 -7.448 1.00 1.00 O ATOM 1277 CB VAL X 77 100.743 3.707 -6.189 1.00 1.00 C ATOM 1278 CG1 VAL X 77 100.162 5.006 -6.755 1.00 1.00 C ATOM 1279 CG2 VAL X 77 101.665 4.033 -5.011 1.00 1.00 C ATOM 0 H VAL X 77 101.187 1.525 -5.062 1.00 1.00 H new ATOM 0 HA VAL X 77 99.036 3.312 -4.931 1.00 1.00 H new ATOM 0 HB VAL X 77 101.310 3.195 -6.966 1.00 1.00 H new ATOM 0 HG11 VAL X 77 100.973 5.649 -7.096 1.00 1.00 H new ATOM 0 HG12 VAL X 77 99.504 4.776 -7.593 1.00 1.00 H new ATOM 0 HG13 VAL X 77 99.594 5.519 -5.979 1.00 1.00 H new ATOM 0 HG21 VAL X 77 102.476 4.677 -5.351 1.00 1.00 H new ATOM 0 HG22 VAL X 77 101.096 4.545 -4.235 1.00 1.00 H new ATOM 0 HG23 VAL X 77 102.080 3.109 -4.608 1.00 1.00 H new ATOM 1289 N THR X 78 98.603 1.235 -7.270 1.00 1.00 N ATOM 1290 CA THR X 78 97.726 0.855 -8.407 1.00 1.00 C ATOM 1291 C THR X 78 96.267 1.104 -8.026 1.00 1.00 C ATOM 1292 O THR X 78 95.472 1.542 -8.833 1.00 1.00 O ATOM 1293 CB THR X 78 97.919 -0.632 -8.725 1.00 1.00 C ATOM 1294 OG1 THR X 78 97.456 -1.415 -7.634 1.00 1.00 O ATOM 1295 CG2 THR X 78 99.403 -0.923 -8.963 1.00 1.00 C ATOM 0 H THR X 78 99.112 0.463 -6.840 1.00 1.00 H new ATOM 0 HA THR X 78 97.984 1.452 -9.282 1.00 1.00 H new ATOM 0 HB THR X 78 97.353 -0.882 -9.622 1.00 1.00 H new ATOM 0 HG1 THR X 78 97.578 -2.366 -7.839 1.00 1.00 H new ATOM 0 HG21 THR X 78 99.535 -1.981 -9.189 1.00 1.00 H new ATOM 0 HG22 THR X 78 99.761 -0.326 -9.802 1.00 1.00 H new ATOM 0 HG23 THR X 78 99.972 -0.669 -8.068 1.00 1.00 H new ATOM 1303 N ALA X 79 95.906 0.827 -6.801 1.00 1.00 N ATOM 1304 CA ALA X 79 94.496 1.046 -6.374 1.00 1.00 C ATOM 1305 C ALA X 79 94.106 2.501 -6.634 1.00 1.00 C ATOM 1306 O ALA X 79 93.030 2.786 -7.118 1.00 1.00 O ATOM 1307 CB ALA X 79 94.365 0.745 -4.878 1.00 1.00 C ATOM 0 H ALA X 79 96.526 0.459 -6.080 1.00 1.00 H new ATOM 0 HA ALA X 79 93.838 0.386 -6.939 1.00 1.00 H new ATOM 0 HB1 ALA X 79 93.334 0.905 -4.564 1.00 1.00 H new ATOM 0 HB2 ALA X 79 94.645 -0.291 -4.689 1.00 1.00 H new ATOM 0 HB3 ALA X 79 95.023 1.407 -4.315 1.00 1.00 H new ATOM 1313 N PHE X 80 94.972 3.424 -6.320 1.00 1.00 N ATOM 1314 CA PHE X 80 94.649 4.860 -6.553 1.00 1.00 C ATOM 1315 C PHE X 80 94.453 5.103 -8.050 1.00 1.00 C ATOM 1316 O PHE X 80 93.512 5.750 -8.466 1.00 1.00 O ATOM 1317 CB PHE X 80 95.799 5.727 -6.041 1.00 1.00 C ATOM 1318 CG PHE X 80 95.826 5.688 -4.532 1.00 1.00 C ATOM 1319 CD1 PHE X 80 96.412 4.602 -3.871 1.00 1.00 C ATOM 1320 CD2 PHE X 80 95.265 6.737 -3.793 1.00 1.00 C ATOM 1321 CE1 PHE X 80 96.437 4.565 -2.472 1.00 1.00 C ATOM 1322 CE2 PHE X 80 95.289 6.699 -2.395 1.00 1.00 C ATOM 1323 CZ PHE X 80 95.876 5.614 -1.733 1.00 1.00 C ATOM 0 H PHE X 80 95.890 3.246 -5.912 1.00 1.00 H new ATOM 0 HA PHE X 80 93.733 5.119 -6.022 1.00 1.00 H new ATOM 0 HB2 PHE X 80 96.746 5.367 -6.442 1.00 1.00 H new ATOM 0 HB3 PHE X 80 95.676 6.753 -6.387 1.00 1.00 H new ATOM 0 HD1 PHE X 80 96.845 3.793 -4.440 1.00 1.00 H new ATOM 0 HD2 PHE X 80 94.814 7.575 -4.303 1.00 1.00 H new ATOM 0 HE1 PHE X 80 96.889 3.727 -1.962 1.00 1.00 H new ATOM 0 HE2 PHE X 80 94.854 7.507 -1.826 1.00 1.00 H new ATOM 0 HZ PHE X 80 95.896 5.586 -0.654 1.00 1.00 H new ATOM 1333 N SER X 81 95.335 4.588 -8.865 1.00 1.00 N ATOM 1334 CA SER X 81 95.194 4.793 -10.336 1.00 1.00 C ATOM 1335 C SER X 81 93.873 4.181 -10.816 1.00 1.00 C ATOM 1336 O SER X 81 93.111 4.799 -11.543 1.00 1.00 O ATOM 1337 CB SER X 81 96.361 4.112 -11.053 1.00 1.00 C ATOM 1338 OG SER X 81 97.569 4.792 -10.738 1.00 1.00 O ATOM 0 H SER X 81 96.144 4.037 -8.577 1.00 1.00 H new ATOM 0 HA SER X 81 95.199 5.860 -10.558 1.00 1.00 H new ATOM 0 HB2 SER X 81 96.429 3.067 -10.750 1.00 1.00 H new ATOM 0 HB3 SER X 81 96.196 4.121 -12.130 1.00 1.00 H new ATOM 0 HG SER X 81 98.318 4.356 -11.195 1.00 1.00 H new ATOM 1344 N TYR X 82 93.585 2.977 -10.400 1.00 1.00 N ATOM 1345 CA TYR X 82 92.311 2.329 -10.819 1.00 1.00 C ATOM 1346 C TYR X 82 91.128 3.127 -10.266 1.00 1.00 C ATOM 1347 O TYR X 82 90.110 3.277 -10.913 1.00 1.00 O ATOM 1348 CB TYR X 82 92.261 0.896 -10.287 1.00 1.00 C ATOM 1349 CG TYR X 82 93.028 -0.017 -11.217 1.00 1.00 C ATOM 1350 CD1 TYR X 82 92.542 -0.264 -12.507 1.00 1.00 C ATOM 1351 CD2 TYR X 82 94.219 -0.616 -10.791 1.00 1.00 C ATOM 1352 CE1 TYR X 82 93.247 -1.110 -13.371 1.00 1.00 C ATOM 1353 CE2 TYR X 82 94.925 -1.461 -11.655 1.00 1.00 C ATOM 1354 CZ TYR X 82 94.440 -1.708 -12.946 1.00 1.00 C ATOM 1355 OH TYR X 82 95.134 -2.542 -13.797 1.00 1.00 O ATOM 0 H TYR X 82 94.177 2.415 -9.788 1.00 1.00 H new ATOM 0 HA TYR X 82 92.256 2.308 -11.907 1.00 1.00 H new ATOM 0 HB2 TYR X 82 92.689 0.854 -9.285 1.00 1.00 H new ATOM 0 HB3 TYR X 82 91.226 0.563 -10.206 1.00 1.00 H new ATOM 0 HD1 TYR X 82 91.623 0.198 -12.835 1.00 1.00 H new ATOM 0 HD2 TYR X 82 94.593 -0.426 -9.796 1.00 1.00 H new ATOM 0 HE1 TYR X 82 92.871 -1.302 -14.365 1.00 1.00 H new ATOM 0 HE2 TYR X 82 95.844 -1.923 -11.326 1.00 1.00 H new ATOM 0 HH TYR X 82 95.939 -2.872 -13.347 1.00 1.00 H new ATOM 1365 N TRP X 83 91.254 3.639 -9.075 1.00 1.00 N ATOM 1366 CA TRP X 83 90.144 4.432 -8.478 1.00 1.00 C ATOM 1367 C TRP X 83 89.963 5.725 -9.276 1.00 1.00 C ATOM 1368 O TRP X 83 88.865 6.217 -9.441 1.00 1.00 O ATOM 1369 CB TRP X 83 90.468 4.764 -7.022 1.00 1.00 C ATOM 1370 CG TRP X 83 89.200 4.863 -6.241 1.00 1.00 C ATOM 1371 CD1 TRP X 83 88.490 5.999 -6.052 1.00 1.00 C ATOM 1372 CD2 TRP X 83 88.480 3.809 -5.539 1.00 1.00 C ATOM 1373 NE1 TRP X 83 87.379 5.709 -5.281 1.00 1.00 N ATOM 1374 CE2 TRP X 83 87.328 4.372 -4.939 1.00 1.00 C ATOM 1375 CE3 TRP X 83 88.711 2.432 -5.366 1.00 1.00 C ATOM 1376 CZ2 TRP X 83 86.439 3.598 -4.194 1.00 1.00 C ATOM 1377 CZ3 TRP X 83 87.816 1.649 -4.617 1.00 1.00 C ATOM 1378 CH2 TRP X 83 86.683 2.232 -4.032 1.00 1.00 C ATOM 0 H TRP X 83 92.081 3.542 -8.486 1.00 1.00 H new ATOM 0 HA TRP X 83 89.223 3.850 -8.511 1.00 1.00 H new ATOM 0 HB2 TRP X 83 91.111 3.993 -6.596 1.00 1.00 H new ATOM 0 HB3 TRP X 83 91.017 5.704 -6.965 1.00 1.00 H new ATOM 0 HD1 TRP X 83 88.749 6.973 -6.440 1.00 1.00 H new ATOM 0 HE1 TRP X 83 86.682 6.399 -4.999 1.00 1.00 H new ATOM 0 HE3 TRP X 83 89.582 1.974 -5.812 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 85.568 4.052 -3.745 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 88.002 0.593 -4.491 1.00 1.00 H new ATOM 0 HH2 TRP X 83 85.999 1.625 -3.457 1.00 1.00 H new ATOM 1389 N ASN X 84 91.038 6.287 -9.764 1.00 1.00 N ATOM 1390 CA ASN X 84 90.928 7.556 -10.540 1.00 1.00 C ATOM 1391 C ASN X 84 90.000 7.327 -11.733 1.00 1.00 C ATOM 1392 O ASN X 84 89.113 8.116 -12.001 1.00 1.00 O ATOM 1393 CB ASN X 84 92.314 7.960 -11.045 1.00 1.00 C ATOM 1394 CG ASN X 84 92.194 9.217 -11.910 1.00 1.00 C ATOM 1395 OD1 ASN X 84 91.484 9.224 -12.895 1.00 1.00 O ATOM 1396 ND2 ASN X 84 92.862 10.287 -11.580 1.00 1.00 N ATOM 0 H ASN X 84 91.985 5.923 -9.659 1.00 1.00 H new ATOM 0 HA ASN X 84 90.527 8.347 -9.906 1.00 1.00 H new ATOM 0 HB2 ASN X 84 92.980 8.147 -10.202 1.00 1.00 H new ATOM 0 HB3 ASN X 84 92.753 7.148 -11.624 1.00 1.00 H new ATOM 0 HD21 ASN X 84 92.788 11.130 -12.149 1.00 1.00 H new ATOM 0 HD22 ASN X 84 93.458 10.281 -10.753 1.00 1.00 H new ATOM 1403 N LEU X 85 90.175 6.240 -12.431 1.00 1.00 N ATOM 1404 CA LEU X 85 89.277 5.948 -13.590 1.00 1.00 C ATOM 1405 C LEU X 85 87.841 5.781 -13.091 1.00 1.00 C ATOM 1406 O LEU X 85 86.902 6.264 -13.696 1.00 1.00 O ATOM 1407 CB LEU X 85 89.732 4.659 -14.276 1.00 1.00 C ATOM 1408 CG LEU X 85 91.044 4.916 -15.020 1.00 1.00 C ATOM 1409 CD1 LEU X 85 91.625 3.588 -15.509 1.00 1.00 C ATOM 1410 CD2 LEU X 85 90.786 5.833 -16.222 1.00 1.00 C ATOM 0 H LEU X 85 90.897 5.542 -12.253 1.00 1.00 H new ATOM 0 HA LEU X 85 89.321 6.773 -14.302 1.00 1.00 H new ATOM 0 HB2 LEU X 85 89.869 3.869 -13.537 1.00 1.00 H new ATOM 0 HB3 LEU X 85 88.967 4.315 -14.972 1.00 1.00 H new ATOM 0 HG LEU X 85 91.752 5.396 -14.344 1.00 1.00 H new ATOM 0 HD11 LEU X 85 92.560 3.773 -16.039 1.00 1.00 H new ATOM 0 HD12 LEU X 85 91.814 2.937 -14.655 1.00 1.00 H new ATOM 0 HD13 LEU X 85 90.916 3.106 -16.182 1.00 1.00 H new ATOM 0 HD21 LEU X 85 91.723 6.014 -16.749 1.00 1.00 H new ATOM 0 HD22 LEU X 85 90.075 5.356 -16.897 1.00 1.00 H new ATOM 0 HD23 LEU X 85 90.376 6.781 -15.875 1.00 1.00 H new ATOM 1422 N ILE X 86 87.660 5.102 -11.993 1.00 1.00 N ATOM 1423 CA ILE X 86 86.283 4.906 -11.459 1.00 1.00 C ATOM 1424 C ILE X 86 85.682 6.266 -11.102 1.00 1.00 C ATOM 1425 O ILE X 86 84.546 6.552 -11.420 1.00 1.00 O ATOM 1426 CB ILE X 86 86.344 4.038 -10.199 1.00 1.00 C ATOM 1427 CG1 ILE X 86 86.499 2.568 -10.599 1.00 1.00 C ATOM 1428 CG2 ILE X 86 85.055 4.215 -9.391 1.00 1.00 C ATOM 1429 CD1 ILE X 86 85.120 1.944 -10.839 1.00 1.00 C ATOM 0 H ILE X 86 88.405 4.675 -11.443 1.00 1.00 H new ATOM 0 HA ILE X 86 85.666 4.416 -12.212 1.00 1.00 H new ATOM 0 HB ILE X 86 87.196 4.341 -9.591 1.00 1.00 H new ATOM 0 HG12 ILE X 86 87.105 2.490 -11.502 1.00 1.00 H new ATOM 0 HG13 ILE X 86 87.023 2.022 -9.815 1.00 1.00 H new ATOM 0 HG21 ILE X 86 85.100 3.597 -8.494 1.00 1.00 H new ATOM 0 HG22 ILE X 86 84.946 5.261 -9.105 1.00 1.00 H new ATOM 0 HG23 ILE X 86 84.201 3.913 -9.998 1.00 1.00 H new ATOM 0 HD11 ILE X 86 85.238 0.898 -11.123 1.00 1.00 H new ATOM 0 HD12 ILE X 86 84.528 2.007 -9.926 1.00 1.00 H new ATOM 0 HD13 ILE X 86 84.611 2.482 -11.639 1.00 1.00 H new ATOM 1441 N LYS X 87 86.436 7.105 -10.447 1.00 1.00 N ATOM 1442 CA LYS X 87 85.905 8.445 -10.068 1.00 1.00 C ATOM 1443 C LYS X 87 85.375 9.156 -11.315 1.00 1.00 C ATOM 1444 O LYS X 87 84.314 9.745 -11.302 1.00 1.00 O ATOM 1445 CB LYS X 87 87.028 9.279 -9.448 1.00 1.00 C ATOM 1446 CG LYS X 87 86.479 10.638 -9.013 1.00 1.00 C ATOM 1447 CD LYS X 87 87.581 11.442 -8.325 1.00 1.00 C ATOM 1448 CE LYS X 87 87.020 12.791 -7.871 1.00 1.00 C ATOM 1449 NZ LYS X 87 88.076 13.546 -7.138 1.00 1.00 N ATOM 0 H LYS X 87 87.397 6.921 -10.158 1.00 1.00 H new ATOM 0 HA LYS X 87 85.097 8.325 -9.347 1.00 1.00 H new ATOM 0 HB2 LYS X 87 87.452 8.756 -8.591 1.00 1.00 H new ATOM 0 HB3 LYS X 87 87.834 9.415 -10.169 1.00 1.00 H new ATOM 0 HG2 LYS X 87 86.104 11.184 -9.879 1.00 1.00 H new ATOM 0 HG3 LYS X 87 85.638 10.501 -8.334 1.00 1.00 H new ATOM 0 HD2 LYS X 87 87.968 10.890 -7.468 1.00 1.00 H new ATOM 0 HD3 LYS X 87 88.416 11.595 -9.009 1.00 1.00 H new ATOM 0 HE2 LYS X 87 86.680 13.364 -8.733 1.00 1.00 H new ATOM 0 HE3 LYS X 87 86.153 12.639 -7.228 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 87.696 14.463 -6.829 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 88.380 12.999 -6.307 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 88.890 13.703 -7.766 1.00 1.00 H new ATOM 1463 N GLU X 88 86.103 9.108 -12.392 1.00 1.00 N ATOM 1464 CA GLU X 88 85.631 9.776 -13.634 1.00 1.00 C ATOM 1465 C GLU X 88 84.418 9.028 -14.185 1.00 1.00 C ATOM 1466 O GLU X 88 83.517 9.612 -14.748 1.00 1.00 O ATOM 1467 CB GLU X 88 86.753 9.773 -14.677 1.00 1.00 C ATOM 1468 CG GLU X 88 87.871 10.716 -14.227 1.00 1.00 C ATOM 1469 CD GLU X 88 89.014 10.671 -15.243 1.00 1.00 C ATOM 1470 OE1 GLU X 88 88.897 9.933 -16.207 1.00 1.00 O ATOM 1471 OE2 GLU X 88 89.988 11.377 -15.039 1.00 1.00 O ATOM 0 H GLU X 88 87.004 8.636 -12.467 1.00 1.00 H new ATOM 0 HA GLU X 88 85.351 10.805 -13.408 1.00 1.00 H new ATOM 0 HB2 GLU X 88 87.143 8.763 -14.804 1.00 1.00 H new ATOM 0 HB3 GLU X 88 86.365 10.088 -15.645 1.00 1.00 H new ATOM 0 HG2 GLU X 88 87.490 11.733 -14.137 1.00 1.00 H new ATOM 0 HG3 GLU X 88 88.234 10.423 -13.242 1.00 1.00 H new ATOM 1478 N LEU X 89 84.398 7.731 -14.048 1.00 1.00 N ATOM 1479 CA LEU X 89 83.249 6.955 -14.581 1.00 1.00 C ATOM 1480 C LEU X 89 81.972 7.322 -13.822 1.00 1.00 C ATOM 1481 O LEU X 89 80.944 7.594 -14.411 1.00 1.00 O ATOM 1482 CB LEU X 89 83.527 5.454 -14.413 1.00 1.00 C ATOM 1483 CG LEU X 89 82.342 4.639 -14.944 1.00 1.00 C ATOM 1484 CD1 LEU X 89 82.116 4.964 -16.421 1.00 1.00 C ATOM 1485 CD2 LEU X 89 82.640 3.147 -14.792 1.00 1.00 C ATOM 0 H LEU X 89 85.125 7.179 -13.592 1.00 1.00 H new ATOM 0 HA LEU X 89 83.118 7.191 -15.637 1.00 1.00 H new ATOM 0 HB2 LEU X 89 84.436 5.182 -14.950 1.00 1.00 H new ATOM 0 HB3 LEU X 89 83.696 5.222 -13.361 1.00 1.00 H new ATOM 0 HG LEU X 89 81.447 4.892 -14.376 1.00 1.00 H new ATOM 0 HD11 LEU X 89 81.273 4.384 -16.796 1.00 1.00 H new ATOM 0 HD12 LEU X 89 81.902 6.027 -16.531 1.00 1.00 H new ATOM 0 HD13 LEU X 89 83.011 4.713 -16.990 1.00 1.00 H new ATOM 0 HD21 LEU X 89 81.798 2.567 -15.169 1.00 1.00 H new ATOM 0 HD22 LEU X 89 83.536 2.895 -15.359 1.00 1.00 H new ATOM 0 HD23 LEU X 89 82.799 2.913 -13.739 1.00 1.00 H new ATOM 1497 N ILE X 90 82.028 7.317 -12.520 1.00 1.00 N ATOM 1498 CA ILE X 90 80.818 7.654 -11.720 1.00 1.00 C ATOM 1499 C ILE X 90 80.530 9.148 -11.836 1.00 1.00 C ATOM 1500 O ILE X 90 79.401 9.562 -11.987 1.00 1.00 O ATOM 1501 CB ILE X 90 81.054 7.282 -10.254 1.00 1.00 C ATOM 1502 CG1 ILE X 90 82.239 8.083 -9.713 1.00 1.00 C ATOM 1503 CG2 ILE X 90 81.360 5.788 -10.146 1.00 1.00 C ATOM 1504 CD1 ILE X 90 82.688 7.496 -8.378 1.00 1.00 C ATOM 0 H ILE X 90 82.860 7.094 -11.974 1.00 1.00 H new ATOM 0 HA ILE X 90 79.963 7.094 -12.099 1.00 1.00 H new ATOM 0 HB ILE X 90 80.160 7.511 -9.673 1.00 1.00 H new ATOM 0 HG12 ILE X 90 83.062 8.060 -10.427 1.00 1.00 H new ATOM 0 HG13 ILE X 90 81.956 9.128 -9.585 1.00 1.00 H new ATOM 0 HG21 ILE X 90 81.528 5.526 -9.101 1.00 1.00 H new ATOM 0 HG22 ILE X 90 80.517 5.215 -10.533 1.00 1.00 H new ATOM 0 HG23 ILE X 90 82.253 5.557 -10.726 1.00 1.00 H new ATOM 0 HD11 ILE X 90 83.533 8.068 -7.994 1.00 1.00 H new ATOM 0 HD12 ILE X 90 81.865 7.542 -7.665 1.00 1.00 H new ATOM 0 HD13 ILE X 90 82.988 6.458 -8.520 1.00 1.00 H new ATOM 1516 N ASP X 91 81.545 9.965 -11.755 1.00 1.00 N ATOM 1517 CA ASP X 91 81.324 11.435 -11.850 1.00 1.00 C ATOM 1518 C ASP X 91 80.733 11.778 -13.216 1.00 1.00 C ATOM 1519 O ASP X 91 79.756 12.492 -13.316 1.00 1.00 O ATOM 1520 CB ASP X 91 82.661 12.161 -11.675 1.00 1.00 C ATOM 1521 CG ASP X 91 83.082 12.112 -10.205 1.00 1.00 C ATOM 1522 OD1 ASP X 91 82.267 11.721 -9.386 1.00 1.00 O ATOM 1523 OD2 ASP X 91 84.216 12.465 -9.925 1.00 1.00 O ATOM 0 H ASP X 91 82.516 9.678 -11.627 1.00 1.00 H new ATOM 0 HA ASP X 91 80.632 11.749 -11.069 1.00 1.00 H new ATOM 0 HB2 ASP X 91 83.424 11.695 -12.298 1.00 1.00 H new ATOM 0 HB3 ASP X 91 82.570 13.196 -12.004 1.00 1.00 H new ATOM 1528 N LYS X 92 81.312 11.268 -14.269 1.00 1.00 N ATOM 1529 CA LYS X 92 80.775 11.563 -15.628 1.00 1.00 C ATOM 1530 C LYS X 92 79.363 10.991 -15.760 1.00 1.00 C ATOM 1531 O LYS X 92 78.464 11.641 -16.257 1.00 1.00 O ATOM 1532 CB LYS X 92 81.684 10.926 -16.681 1.00 1.00 C ATOM 1533 CG LYS X 92 83.005 11.696 -16.754 1.00 1.00 C ATOM 1534 CD LYS X 92 83.928 11.029 -17.776 1.00 1.00 C ATOM 1535 CE LYS X 92 85.210 11.850 -17.917 1.00 1.00 C ATOM 1536 NZ LYS X 92 86.111 11.200 -18.911 1.00 1.00 N ATOM 0 H LYS X 92 82.132 10.661 -14.247 1.00 1.00 H new ATOM 0 HA LYS X 92 80.741 12.642 -15.778 1.00 1.00 H new ATOM 0 HB2 LYS X 92 81.873 9.883 -16.429 1.00 1.00 H new ATOM 0 HB3 LYS X 92 81.192 10.935 -17.654 1.00 1.00 H new ATOM 0 HG2 LYS X 92 82.819 12.732 -17.037 1.00 1.00 H new ATOM 0 HG3 LYS X 92 83.482 11.714 -15.774 1.00 1.00 H new ATOM 0 HD2 LYS X 92 84.167 10.014 -17.458 1.00 1.00 H new ATOM 0 HD3 LYS X 92 83.425 10.952 -18.740 1.00 1.00 H new ATOM 0 HE2 LYS X 92 84.971 12.865 -18.236 1.00 1.00 H new ATOM 0 HE3 LYS X 92 85.712 11.929 -16.953 1.00 1.00 H new ATOM 0 HZ1 LYS X 92 86.983 11.759 -19.007 1.00 1.00 H new ATOM 0 HZ2 LYS X 92 86.348 10.240 -18.589 1.00 1.00 H new ATOM 0 HZ3 LYS X 92 85.631 11.147 -19.832 1.00 1.00 H new ATOM 1550 N LYS X 93 79.159 9.783 -15.316 1.00 1.00 N ATOM 1551 CA LYS X 93 77.804 9.168 -15.413 1.00 1.00 C ATOM 1552 C LYS X 93 76.931 9.664 -14.258 1.00 1.00 C ATOM 1553 O LYS X 93 77.396 9.855 -13.154 1.00 1.00 O ATOM 1554 CB LYS X 93 77.925 7.645 -15.346 1.00 1.00 C ATOM 1555 CG LYS X 93 76.540 7.014 -15.504 1.00 1.00 C ATOM 1556 CD LYS X 93 76.671 5.490 -15.502 1.00 1.00 C ATOM 1557 CE LYS X 93 75.288 4.861 -15.676 1.00 1.00 C ATOM 1558 NZ LYS X 93 75.424 3.379 -15.759 1.00 1.00 N ATOM 0 H LYS X 93 79.873 9.193 -14.889 1.00 1.00 H new ATOM 0 HA LYS X 93 77.346 9.453 -16.360 1.00 1.00 H new ATOM 0 HB2 LYS X 93 78.591 7.288 -16.132 1.00 1.00 H new ATOM 0 HB3 LYS X 93 78.366 7.346 -14.395 1.00 1.00 H new ATOM 0 HG2 LYS X 93 75.888 7.335 -14.692 1.00 1.00 H new ATOM 0 HG3 LYS X 93 76.080 7.349 -16.434 1.00 1.00 H new ATOM 0 HD2 LYS X 93 77.332 5.170 -16.307 1.00 1.00 H new ATOM 0 HD3 LYS X 93 77.121 5.154 -14.568 1.00 1.00 H new ATOM 0 HE2 LYS X 93 74.645 5.132 -14.838 1.00 1.00 H new ATOM 0 HE3 LYS X 93 74.813 5.245 -16.579 1.00 1.00 H new ATOM 0 HZ1 LYS X 93 74.484 2.950 -15.877 1.00 1.00 H new ATOM 0 HZ2 LYS X 93 76.023 3.130 -16.572 1.00 1.00 H new ATOM 0 HZ3 LYS X 93 75.860 3.021 -14.885 1.00 1.00 H new ATOM 1572 N GLU X 94 75.669 9.878 -14.504 1.00 1.00 N ATOM 1573 CA GLU X 94 74.770 10.363 -13.419 1.00 1.00 C ATOM 1574 C GLU X 94 74.558 9.246 -12.397 1.00 1.00 C ATOM 1575 O GLU X 94 74.383 8.097 -12.751 1.00 1.00 O ATOM 1576 CB GLU X 94 73.422 10.764 -14.020 1.00 1.00 C ATOM 1577 CG GLU X 94 73.621 11.927 -14.993 1.00 1.00 C ATOM 1578 CD GLU X 94 74.083 13.167 -14.226 1.00 1.00 C ATOM 1579 OE1 GLU X 94 73.880 13.204 -13.024 1.00 1.00 O ATOM 1580 OE2 GLU X 94 74.632 14.058 -14.853 1.00 1.00 O ATOM 0 H GLU X 94 75.221 9.738 -15.409 1.00 1.00 H new ATOM 0 HA GLU X 94 75.222 11.225 -12.928 1.00 1.00 H new ATOM 0 HB2 GLU X 94 72.976 9.915 -14.538 1.00 1.00 H new ATOM 0 HB3 GLU X 94 72.731 11.053 -13.228 1.00 1.00 H new ATOM 0 HG2 GLU X 94 74.359 11.659 -15.749 1.00 1.00 H new ATOM 0 HG3 GLU X 94 72.689 12.138 -15.518 1.00 1.00 H new ATOM 1587 N VAL X 95 74.574 9.575 -11.133 1.00 1.00 N ATOM 1588 CA VAL X 95 74.375 8.535 -10.081 1.00 1.00 C ATOM 1589 C VAL X 95 73.418 9.067 -9.018 1.00 1.00 C ATOM 1590 O VAL X 95 73.166 10.252 -8.944 1.00 1.00 O ATOM 1591 CB VAL X 95 75.718 8.195 -9.439 1.00 1.00 C ATOM 1592 CG1 VAL X 95 76.310 9.449 -8.795 1.00 1.00 C ATOM 1593 CG2 VAL X 95 75.511 7.122 -8.368 1.00 1.00 C ATOM 0 H VAL X 95 74.717 10.522 -10.782 1.00 1.00 H new ATOM 0 HA VAL X 95 73.954 7.636 -10.531 1.00 1.00 H new ATOM 0 HB VAL X 95 76.402 7.823 -10.202 1.00 1.00 H new ATOM 0 HG11 VAL X 95 77.269 9.205 -8.337 1.00 1.00 H new ATOM 0 HG12 VAL X 95 76.456 10.215 -9.557 1.00 1.00 H new ATOM 0 HG13 VAL X 95 75.628 9.823 -8.031 1.00 1.00 H new ATOM 0 HG21 VAL X 95 76.469 6.877 -7.908 1.00 1.00 H new ATOM 0 HG22 VAL X 95 74.827 7.496 -7.606 1.00 1.00 H new ATOM 0 HG23 VAL X 95 75.090 6.227 -8.826 1.00 1.00 H new