USER MOD reduce.3.24.130724 H: found=0, std=0, add=1021, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1024 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 : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 124:sc= -0.137 (180deg=-0.794) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.23 K(o=-1.2,f=-2.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -17:sc= -1.71 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 7:sc= 0.924 USER MOD Single : A 35 ASN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= -4.55! (180deg=-5.87!) USER MOD Single : A 42 TYR OH : rot -59:sc= 0.00258 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 179:sc= -0.0184 (180deg=-0.0193) USER MOD Single : A 49 LYS NZ :NH3+ -126:sc= -0.0489 (180deg=-1.56) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -150:sc= -0.913 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 62 TYR OH : rot -83:sc= -2.87! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -1.5 K(o=-1.5,f=-8.3!) USER MOD Single : A 79 TYR OH : rot 74:sc= 1.2 USER MOD Single : A 84 MET CE :methyl -177:sc= -0.699 (180deg=-0.777) USER MOD Single : A 97 ASN : amide:sc= -5.93! C(o=-5.9!,f=-4.3!) USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.0545 K(o=-0.054,f=-0.66) USER MOD Single : A 106 SER OG : rot 84:sc= 0.938 USER MOD Single : A 111 THR OG1 : rot 81:sc= 1.21 USER MOD Single : A 112 LYS NZ :NH3+ 164:sc= -0.0208 (180deg=-0.31) USER MOD Single : A 115 GLN : amide:sc= -0.0168 X(o=-0.017,f=-0.16) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.178) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 8 -1.664 -1.907 -26.260 1.00 0.00 N ATOM 2 CA LYS A 8 -0.233 -2.307 -26.233 1.00 0.00 C ATOM 3 C LYS A 8 0.045 -3.287 -25.098 1.00 0.00 C ATOM 4 O LYS A 8 -0.718 -3.369 -24.135 1.00 0.00 O ATOM 5 CB LYS A 8 0.621 -1.048 -26.066 1.00 0.00 C ATOM 6 CG LYS A 8 1.089 -0.450 -27.383 1.00 0.00 C ATOM 7 CD LYS A 8 0.257 0.760 -27.774 1.00 0.00 C ATOM 8 CE LYS A 8 0.765 1.395 -29.059 1.00 0.00 C ATOM 9 NZ LYS A 8 0.720 2.881 -29.000 1.00 0.00 N ATOM 0 HA LYS A 8 0.016 -2.810 -27.168 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.046 -0.299 -25.521 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.492 -1.288 -25.456 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.137 -0.161 -27.300 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.028 -1.204 -28.168 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.784 0.461 -27.901 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.282 1.495 -26.969 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.789 1.070 -29.244 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.163 1.047 -29.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.074 3.275 -29.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.261 3.193 -28.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.315 3.215 -28.215 1.00 0.00 H new ATOM 25 N MET A 9 1.142 -4.028 -25.216 1.00 0.00 N ATOM 26 CA MET A 9 1.518 -5.003 -24.199 1.00 0.00 C ATOM 27 C MET A 9 1.967 -4.305 -22.920 1.00 0.00 C ATOM 28 O MET A 9 3.095 -3.819 -22.828 1.00 0.00 O ATOM 29 CB MET A 9 2.636 -5.909 -24.719 1.00 0.00 C ATOM 30 CG MET A 9 2.908 -7.110 -23.828 1.00 0.00 C ATOM 31 SD MET A 9 1.879 -8.531 -24.245 1.00 0.00 S ATOM 32 CE MET A 9 2.529 -8.958 -25.859 1.00 0.00 C ATOM 0 H MET A 9 1.786 -3.972 -26.005 1.00 0.00 H new ATOM 0 HA MET A 9 0.643 -5.612 -23.973 1.00 0.00 H new ATOM 0 HB2 MET A 9 2.374 -6.259 -25.717 1.00 0.00 H new ATOM 0 HB3 MET A 9 3.551 -5.324 -24.816 1.00 0.00 H new ATOM 0 HG2 MET A 9 3.958 -7.390 -23.912 1.00 0.00 H new ATOM 0 HG3 MET A 9 2.734 -6.833 -22.788 1.00 0.00 H new ATOM 0 HE1 MET A 9 2.855 -9.998 -25.856 1.00 0.00 H new ATOM 0 HE2 MET A 9 1.752 -8.823 -26.611 1.00 0.00 H new ATOM 0 HE3 MET A 9 3.376 -8.313 -26.092 1.00 0.00 H new ATOM 42 N SER A 10 1.077 -4.257 -21.934 1.00 0.00 N ATOM 43 CA SER A 10 1.381 -3.616 -20.658 1.00 0.00 C ATOM 44 C SER A 10 1.482 -4.648 -19.539 1.00 0.00 C ATOM 45 O SER A 10 0.935 -5.747 -19.642 1.00 0.00 O ATOM 46 CB SER A 10 0.309 -2.580 -20.318 1.00 0.00 C ATOM 47 OG SER A 10 0.191 -1.611 -21.345 1.00 0.00 O ATOM 0 H SER A 10 0.139 -4.654 -21.993 1.00 0.00 H new ATOM 0 HA SER A 10 2.345 -3.115 -20.752 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.649 -3.078 -20.172 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.559 -2.089 -19.378 1.00 0.00 H new ATOM 0 HG SER A 10 -0.502 -0.961 -21.104 1.00 0.00 H new ATOM 53 N GLU A 11 2.185 -4.286 -18.470 1.00 0.00 N ATOM 54 CA GLU A 11 2.359 -5.179 -17.330 1.00 0.00 C ATOM 55 C GLU A 11 2.084 -4.448 -16.019 1.00 0.00 C ATOM 56 O GLU A 11 2.918 -3.681 -15.538 1.00 0.00 O ATOM 57 CB GLU A 11 3.775 -5.755 -17.318 1.00 0.00 C ATOM 58 CG GLU A 11 4.079 -6.651 -18.508 1.00 0.00 C ATOM 59 CD GLU A 11 4.942 -5.966 -19.549 1.00 0.00 C ATOM 60 OE1 GLU A 11 4.999 -4.717 -19.544 1.00 0.00 O ATOM 61 OE2 GLU A 11 5.561 -6.676 -20.369 1.00 0.00 O ATOM 0 H GLU A 11 2.643 -3.380 -18.370 1.00 0.00 H new ATOM 0 HA GLU A 11 1.643 -5.995 -17.427 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.492 -4.934 -17.300 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.919 -6.324 -16.400 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.583 -7.552 -18.160 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.143 -6.967 -18.968 1.00 0.00 H new ATOM 68 N LYS A 12 0.909 -4.691 -15.446 1.00 0.00 N ATOM 69 CA LYS A 12 0.523 -4.055 -14.191 1.00 0.00 C ATOM 70 C LYS A 12 -0.527 -4.887 -13.460 1.00 0.00 C ATOM 71 O LYS A 12 -1.366 -5.534 -14.086 1.00 0.00 O ATOM 72 CB LYS A 12 -0.015 -2.646 -14.453 1.00 0.00 C ATOM 73 CG LYS A 12 0.988 -1.545 -14.153 1.00 0.00 C ATOM 74 CD LYS A 12 0.296 -0.218 -13.888 1.00 0.00 C ATOM 75 CE LYS A 12 -0.489 0.251 -15.102 1.00 0.00 C ATOM 76 NZ LYS A 12 -1.668 1.077 -14.716 1.00 0.00 N ATOM 0 H LYS A 12 0.208 -5.324 -15.831 1.00 0.00 H new ATOM 0 HA LYS A 12 1.409 -3.986 -13.560 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.322 -2.572 -15.496 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.907 -2.488 -13.846 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.587 -1.824 -13.286 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.674 -1.437 -14.993 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.376 -0.320 -13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.038 0.534 -13.620 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.163 0.832 -15.754 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.824 -0.614 -15.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.177 1.377 -15.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -2.304 0.515 -14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.347 1.916 -14.192 1.00 0.00 H new ATOM 90 N LEU A 13 -0.476 -4.863 -12.132 1.00 0.00 N ATOM 91 CA LEU A 13 -1.424 -5.613 -11.317 1.00 0.00 C ATOM 92 C LEU A 13 -2.777 -4.913 -11.280 1.00 0.00 C ATOM 93 O LEU A 13 -2.851 -3.684 -11.264 1.00 0.00 O ATOM 94 CB LEU A 13 -0.889 -5.784 -9.894 1.00 0.00 C ATOM 95 CG LEU A 13 -1.625 -6.820 -9.043 1.00 0.00 C ATOM 96 CD1 LEU A 13 -1.184 -8.226 -9.416 1.00 0.00 C ATOM 97 CD2 LEU A 13 -1.386 -6.558 -7.564 1.00 0.00 C ATOM 0 H LEU A 13 0.212 -4.332 -11.598 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.552 -6.597 -11.768 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.163 -6.064 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.936 -4.820 -9.387 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.694 -6.733 -9.239 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.718 -8.950 -8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.406 -8.410 -10.467 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.112 -8.328 -9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.917 -7.304 -6.972 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.319 -6.618 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.751 -5.564 -7.307 1.00 0.00 H new ATOM 109 N ARG A 14 -3.847 -5.700 -11.265 1.00 0.00 N ATOM 110 CA ARG A 14 -5.198 -5.149 -11.228 1.00 0.00 C ATOM 111 C ARG A 14 -5.547 -4.657 -9.828 1.00 0.00 C ATOM 112 O ARG A 14 -5.902 -5.444 -8.949 1.00 0.00 O ATOM 113 CB ARG A 14 -6.227 -6.181 -11.695 1.00 0.00 C ATOM 114 CG ARG A 14 -5.944 -7.600 -11.224 1.00 0.00 C ATOM 115 CD ARG A 14 -7.082 -8.542 -11.580 1.00 0.00 C ATOM 116 NE ARG A 14 -6.887 -9.165 -12.888 1.00 0.00 N ATOM 117 CZ ARG A 14 -5.891 -10.003 -13.168 1.00 0.00 C ATOM 118 NH1 ARG A 14 -5.001 -10.323 -12.237 1.00 0.00 N ATOM 119 NH2 ARG A 14 -5.785 -10.523 -14.383 1.00 0.00 N ATOM 0 H ARG A 14 -3.806 -6.719 -11.278 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.226 -4.301 -11.912 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.213 -5.882 -11.339 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.265 -6.172 -12.784 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.019 -7.957 -11.677 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.792 -7.603 -10.145 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.163 -9.317 -10.818 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.023 -7.992 -11.577 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.552 -8.945 -13.629 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -5.078 -9.926 -11.300 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.240 -10.966 -12.458 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.466 -10.281 -15.103 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.022 -11.165 -14.598 1.00 0.00 H new ATOM 133 N ILE A 15 -5.438 -3.349 -9.633 1.00 0.00 N ATOM 134 CA ILE A 15 -5.734 -2.730 -8.349 1.00 0.00 C ATOM 135 C ILE A 15 -6.503 -1.427 -8.546 1.00 0.00 C ATOM 136 O ILE A 15 -6.059 -0.541 -9.276 1.00 0.00 O ATOM 137 CB ILE A 15 -4.438 -2.437 -7.569 1.00 0.00 C ATOM 138 CG1 ILE A 15 -3.568 -3.694 -7.491 1.00 0.00 C ATOM 139 CG2 ILE A 15 -4.757 -1.918 -6.175 1.00 0.00 C ATOM 140 CD1 ILE A 15 -2.210 -3.451 -6.869 1.00 0.00 C ATOM 0 H ILE A 15 -5.144 -2.692 -10.356 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.345 -3.430 -7.778 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.882 -1.665 -8.100 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.093 -4.454 -6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.432 -4.095 -8.495 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.829 -1.717 -5.640 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.337 -0.999 -6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.334 -2.666 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.648 -4.385 -6.846 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.666 -2.714 -7.460 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.337 -3.079 -5.852 1.00 0.00 H new ATOM 152 N LYS A 16 -7.658 -1.315 -7.898 1.00 0.00 N ATOM 153 CA LYS A 16 -8.481 -0.116 -8.016 1.00 0.00 C ATOM 154 C LYS A 16 -8.949 0.360 -6.646 1.00 0.00 C ATOM 155 O LYS A 16 -9.599 -0.379 -5.908 1.00 0.00 O ATOM 156 CB LYS A 16 -9.689 -0.389 -8.915 1.00 0.00 C ATOM 157 CG LYS A 16 -9.324 -0.596 -10.375 1.00 0.00 C ATOM 158 CD LYS A 16 -10.328 -1.497 -11.077 1.00 0.00 C ATOM 159 CE LYS A 16 -9.785 -2.011 -12.401 1.00 0.00 C ATOM 160 NZ LYS A 16 -10.251 -3.395 -12.693 1.00 0.00 N ATOM 0 H LYS A 16 -8.044 -2.036 -7.288 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.873 0.670 -8.464 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.211 -1.274 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.385 0.446 -8.838 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.283 0.368 -10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.329 -1.035 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.575 -2.340 -10.432 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.253 -0.947 -11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.099 -1.345 -13.205 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.695 -1.992 -12.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.859 -3.708 -13.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.930 -4.036 -11.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.290 -3.409 -12.740 1.00 0.00 H new ATOM 174 N VAL A 17 -8.615 1.602 -6.311 1.00 0.00 N ATOM 175 CA VAL A 17 -9.002 2.176 -5.028 1.00 0.00 C ATOM 176 C VAL A 17 -10.045 3.272 -5.211 1.00 0.00 C ATOM 177 O VAL A 17 -9.743 4.353 -5.716 1.00 0.00 O ATOM 178 CB VAL A 17 -7.790 2.761 -4.271 1.00 0.00 C ATOM 179 CG1 VAL A 17 -8.025 2.697 -2.772 1.00 0.00 C ATOM 180 CG2 VAL A 17 -6.508 2.030 -4.646 1.00 0.00 C ATOM 0 H VAL A 17 -8.078 2.229 -6.910 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.425 1.362 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.677 3.805 -4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.163 3.113 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.915 3.273 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.166 1.659 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.670 2.462 -4.099 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.603 0.975 -4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.332 2.130 -5.717 1.00 0.00 H new ATOM 190 N ASP A 18 -11.275 2.985 -4.797 1.00 0.00 N ATOM 191 CA ASP A 18 -12.365 3.947 -4.915 1.00 0.00 C ATOM 192 C ASP A 18 -13.234 3.942 -3.662 1.00 0.00 C ATOM 193 O ASP A 18 -14.434 4.211 -3.726 1.00 0.00 O ATOM 194 CB ASP A 18 -13.217 3.634 -6.145 1.00 0.00 C ATOM 195 CG ASP A 18 -12.544 4.054 -7.437 1.00 0.00 C ATOM 196 OD1 ASP A 18 -11.589 3.368 -7.860 1.00 0.00 O ATOM 197 OD2 ASP A 18 -12.971 5.069 -8.025 1.00 0.00 O ATOM 0 H ASP A 18 -11.542 2.095 -4.377 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.930 4.940 -5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.424 2.564 -6.177 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -14.177 4.142 -6.057 1.00 0.00 H new ATOM 202 N ASP A 19 -12.621 3.636 -2.523 1.00 0.00 N ATOM 203 CA ASP A 19 -13.337 3.598 -1.253 1.00 0.00 C ATOM 204 C ASP A 19 -12.520 4.265 -0.152 1.00 0.00 C ATOM 205 O ASP A 19 -11.325 4.004 -0.009 1.00 0.00 O ATOM 206 CB ASP A 19 -13.658 2.151 -0.868 1.00 0.00 C ATOM 207 CG ASP A 19 -15.142 1.924 -0.657 1.00 0.00 C ATOM 208 OD1 ASP A 19 -15.703 2.510 0.292 1.00 0.00 O ATOM 209 OD2 ASP A 19 -15.742 1.160 -1.442 1.00 0.00 O ATOM 0 H ASP A 19 -11.629 3.410 -2.454 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.271 4.148 -1.370 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.299 1.482 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.121 1.893 0.045 1.00 0.00 H new ATOM 214 N VAL A 20 -13.168 5.129 0.622 1.00 0.00 N ATOM 215 CA VAL A 20 -12.496 5.832 1.708 1.00 0.00 C ATOM 216 C VAL A 20 -13.443 6.070 2.879 1.00 0.00 C ATOM 217 O VAL A 20 -14.548 6.582 2.704 1.00 0.00 O ATOM 218 CB VAL A 20 -11.931 7.184 1.233 1.00 0.00 C ATOM 219 CG1 VAL A 20 -11.101 7.834 2.330 1.00 0.00 C ATOM 220 CG2 VAL A 20 -11.107 7.003 -0.032 1.00 0.00 C ATOM 0 H VAL A 20 -14.156 5.359 0.518 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.673 5.197 2.036 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.767 7.845 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.711 8.788 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.725 8.002 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.271 7.179 2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.716 7.969 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.278 6.324 0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.735 6.586 -0.819 1.00 0.00 H new ATOM 230 N LYS A 21 -13.000 5.697 4.076 1.00 0.00 N ATOM 231 CA LYS A 21 -13.805 5.870 5.278 1.00 0.00 C ATOM 232 C LYS A 21 -13.110 6.807 6.262 1.00 0.00 C ATOM 233 O LYS A 21 -12.143 6.425 6.920 1.00 0.00 O ATOM 234 CB LYS A 21 -14.070 4.516 5.941 1.00 0.00 C ATOM 235 CG LYS A 21 -15.548 4.179 6.064 1.00 0.00 C ATOM 236 CD LYS A 21 -15.859 3.511 7.394 1.00 0.00 C ATOM 237 CE LYS A 21 -17.070 2.598 7.289 1.00 0.00 C ATOM 238 NZ LYS A 21 -17.836 2.541 8.565 1.00 0.00 N ATOM 0 H LYS A 21 -12.087 5.273 4.238 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.758 6.314 4.989 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.574 3.735 5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.621 4.513 6.934 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.139 5.090 5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.841 3.519 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.995 2.934 7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.041 4.273 8.151 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.722 2.951 6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.745 1.594 7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.653 1.908 8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.222 2.180 9.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -18.168 3.495 8.813 1.00 0.00 H new ATOM 252 N ILE A 22 -13.610 8.035 6.354 1.00 0.00 N ATOM 253 CA ILE A 22 -13.035 9.026 7.254 1.00 0.00 C ATOM 254 C ILE A 22 -13.397 8.728 8.705 1.00 0.00 C ATOM 255 O ILE A 22 -14.520 8.981 9.140 1.00 0.00 O ATOM 256 CB ILE A 22 -13.512 10.449 6.905 1.00 0.00 C ATOM 257 CG1 ILE A 22 -13.463 10.677 5.391 1.00 0.00 C ATOM 258 CG2 ILE A 22 -12.659 11.480 7.625 1.00 0.00 C ATOM 259 CD1 ILE A 22 -12.105 10.402 4.783 1.00 0.00 C ATOM 0 H ILE A 22 -14.411 8.367 5.817 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.953 8.971 7.131 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.545 10.559 7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.203 10.037 4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.746 11.708 5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.006 12.481 7.370 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.740 11.331 8.702 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -11.618 11.368 7.320 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.144 10.584 3.709 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.364 11.060 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.828 9.364 4.965 1.00 0.00 H new ATOM 271 N ASN A 23 -12.436 8.191 9.449 1.00 0.00 N ATOM 272 CA ASN A 23 -12.653 7.863 10.853 1.00 0.00 C ATOM 273 C ASN A 23 -12.091 8.959 11.756 1.00 0.00 C ATOM 274 O ASN A 23 -11.098 9.604 11.416 1.00 0.00 O ATOM 275 CB ASN A 23 -12.006 6.520 11.193 1.00 0.00 C ATOM 276 CG ASN A 23 -12.890 5.657 12.072 1.00 0.00 C ATOM 277 OD1 ASN A 23 -12.647 5.516 13.271 1.00 0.00 O ATOM 278 ND2 ASN A 23 -13.924 5.072 11.478 1.00 0.00 N ATOM 0 H ASN A 23 -11.501 7.974 9.104 1.00 0.00 H new ATOM 0 HA ASN A 23 -13.727 7.790 11.024 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.782 5.984 10.271 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.056 6.695 11.699 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -14.554 4.479 12.018 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -14.088 5.216 10.482 1.00 0.00 H new ATOM 285 N PRO A 24 -12.719 9.186 12.922 1.00 0.00 N ATOM 286 CA PRO A 24 -12.275 10.213 13.872 1.00 0.00 C ATOM 287 C PRO A 24 -10.839 9.998 14.347 1.00 0.00 C ATOM 288 O PRO A 24 -10.224 10.904 14.908 1.00 0.00 O ATOM 289 CB PRO A 24 -13.248 10.068 15.048 1.00 0.00 C ATOM 290 CG PRO A 24 -14.436 9.367 14.485 1.00 0.00 C ATOM 291 CD PRO A 24 -13.911 8.467 13.405 1.00 0.00 C ATOM 0 HA PRO A 24 -12.278 11.203 13.416 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.801 9.496 15.861 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -13.521 11.041 15.456 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.952 8.793 15.255 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.156 10.080 14.083 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -13.658 7.480 13.791 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -14.643 8.321 12.611 1.00 0.00 H new ATOM 299 N LYS A 25 -10.312 8.795 14.129 1.00 0.00 N ATOM 300 CA LYS A 25 -8.953 8.475 14.550 1.00 0.00 C ATOM 301 C LYS A 25 -8.005 8.366 13.357 1.00 0.00 C ATOM 302 O LYS A 25 -6.802 8.589 13.492 1.00 0.00 O ATOM 303 CB LYS A 25 -8.941 7.167 15.344 1.00 0.00 C ATOM 304 CG LYS A 25 -9.502 7.306 16.750 1.00 0.00 C ATOM 305 CD LYS A 25 -10.248 6.053 17.181 1.00 0.00 C ATOM 306 CE LYS A 25 -9.481 5.284 18.245 1.00 0.00 C ATOM 307 NZ LYS A 25 -10.111 3.969 18.545 1.00 0.00 N ATOM 0 H LYS A 25 -10.803 8.031 13.666 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.603 9.289 15.185 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.519 6.418 14.803 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.917 6.797 15.405 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.689 7.505 17.449 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.174 8.163 16.791 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -11.230 6.328 17.566 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.413 5.411 16.316 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.456 5.127 17.910 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.431 5.879 19.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.557 3.477 19.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.081 4.119 18.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.136 3.391 17.681 1.00 0.00 H new ATOM 321 N TYR A 26 -8.546 8.020 12.192 1.00 0.00 N ATOM 322 CA TYR A 26 -7.729 7.882 10.989 1.00 0.00 C ATOM 323 C TYR A 26 -8.593 7.635 9.756 1.00 0.00 C ATOM 324 O TYR A 26 -9.752 7.238 9.866 1.00 0.00 O ATOM 325 CB TYR A 26 -6.729 6.737 11.160 1.00 0.00 C ATOM 326 CG TYR A 26 -7.360 5.453 11.650 1.00 0.00 C ATOM 327 CD1 TYR A 26 -8.141 4.674 10.806 1.00 0.00 C ATOM 328 CD2 TYR A 26 -7.174 5.020 12.958 1.00 0.00 C ATOM 329 CE1 TYR A 26 -8.720 3.500 11.251 1.00 0.00 C ATOM 330 CE2 TYR A 26 -7.751 3.848 13.410 1.00 0.00 C ATOM 331 CZ TYR A 26 -8.522 3.092 12.553 1.00 0.00 C ATOM 332 OH TYR A 26 -9.097 1.924 12.999 1.00 0.00 O ATOM 0 H TYR A 26 -9.539 7.831 12.055 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.188 8.817 10.843 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.237 6.550 10.206 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.955 7.043 11.863 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.299 4.990 9.786 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.569 5.609 13.632 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.324 2.905 10.582 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -7.599 3.526 14.430 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.859 1.780 13.939 1.00 0.00 H new ATOM 342 N VAL A 27 -8.014 7.869 8.581 1.00 0.00 N ATOM 343 CA VAL A 27 -8.726 7.669 7.324 1.00 0.00 C ATOM 344 C VAL A 27 -8.272 6.385 6.636 1.00 0.00 C ATOM 345 O VAL A 27 -7.094 6.225 6.314 1.00 0.00 O ATOM 346 CB VAL A 27 -8.510 8.853 6.361 1.00 0.00 C ATOM 347 CG1 VAL A 27 -9.448 8.751 5.168 1.00 0.00 C ATOM 348 CG2 VAL A 27 -8.701 10.175 7.087 1.00 0.00 C ATOM 0 H VAL A 27 -7.054 8.197 8.474 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.786 7.596 7.569 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.485 8.813 5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.280 9.596 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.256 7.821 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.481 8.763 5.515 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.544 10.999 6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.713 10.227 7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.983 10.249 7.904 1.00 0.00 H new ATOM 358 N LEU A 28 -9.212 5.472 6.416 1.00 0.00 N ATOM 359 CA LEU A 28 -8.906 4.201 5.767 1.00 0.00 C ATOM 360 C LEU A 28 -9.084 4.300 4.256 1.00 0.00 C ATOM 361 O LEU A 28 -9.800 5.170 3.760 1.00 0.00 O ATOM 362 CB LEU A 28 -9.800 3.092 6.323 1.00 0.00 C ATOM 363 CG LEU A 28 -9.687 2.861 7.831 1.00 0.00 C ATOM 364 CD1 LEU A 28 -10.529 1.667 8.253 1.00 0.00 C ATOM 365 CD2 LEU A 28 -8.233 2.658 8.229 1.00 0.00 C ATOM 0 H LEU A 28 -10.191 5.588 6.677 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.864 3.960 5.976 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.837 3.329 6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.559 2.161 5.810 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.065 3.745 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.436 1.518 9.329 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.573 1.851 8.001 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.182 0.775 7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.170 2.495 9.305 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.830 1.790 7.706 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.656 3.543 7.962 1.00 0.00 H new ATOM 377 N TYR A 29 -8.429 3.400 3.529 1.00 0.00 N ATOM 378 CA TYR A 29 -8.515 3.380 2.073 1.00 0.00 C ATOM 379 C TYR A 29 -8.887 1.988 1.573 1.00 0.00 C ATOM 380 O TYR A 29 -8.171 1.018 1.821 1.00 0.00 O ATOM 381 CB TYR A 29 -7.187 3.820 1.456 1.00 0.00 C ATOM 382 CG TYR A 29 -7.061 5.317 1.291 1.00 0.00 C ATOM 383 CD1 TYR A 29 -7.497 5.947 0.131 1.00 0.00 C ATOM 384 CD2 TYR A 29 -6.506 6.101 2.295 1.00 0.00 C ATOM 385 CE1 TYR A 29 -7.384 7.315 -0.022 1.00 0.00 C ATOM 386 CE2 TYR A 29 -6.390 7.471 2.148 1.00 0.00 C ATOM 387 CZ TYR A 29 -6.830 8.072 0.989 1.00 0.00 C ATOM 388 OH TYR A 29 -6.716 9.435 0.838 1.00 0.00 O ATOM 0 H TYR A 29 -7.832 2.674 3.925 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.295 4.078 1.768 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.369 3.462 2.082 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.074 3.345 0.481 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.931 5.357 -0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.160 5.633 3.205 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.728 7.790 -0.929 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.957 8.067 2.938 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.810 9.668 -0.109 1.00 0.00 H new ATOM 398 N GLY A 30 -10.011 1.896 0.871 1.00 0.00 N ATOM 399 CA GLY A 30 -10.458 0.616 0.352 1.00 0.00 C ATOM 400 C GLY A 30 -9.836 0.284 -0.990 1.00 0.00 C ATOM 401 O GLY A 30 -10.325 0.720 -2.032 1.00 0.00 O ATOM 0 H GLY A 30 -10.620 2.684 0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.211 -0.169 1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.543 0.627 0.253 1.00 0.00 H new ATOM 405 N VAL A 31 -8.758 -0.495 -0.964 1.00 0.00 N ATOM 406 CA VAL A 31 -8.068 -0.888 -2.187 1.00 0.00 C ATOM 407 C VAL A 31 -8.689 -2.147 -2.780 1.00 0.00 C ATOM 408 O VAL A 31 -8.550 -3.239 -2.230 1.00 0.00 O ATOM 409 CB VAL A 31 -6.569 -1.136 -1.933 1.00 0.00 C ATOM 410 CG1 VAL A 31 -5.837 -1.392 -3.241 1.00 0.00 C ATOM 411 CG2 VAL A 31 -5.953 0.041 -1.191 1.00 0.00 C ATOM 0 H VAL A 31 -8.344 -0.866 -0.109 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.174 -0.064 -2.893 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.468 -2.025 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.780 -1.565 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.261 -2.269 -3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.945 -0.526 -3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.894 -0.151 -1.020 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.066 0.946 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.457 0.172 -0.234 1.00 0.00 H new ATOM 421 N SER A 32 -9.377 -1.982 -3.904 1.00 0.00 N ATOM 422 CA SER A 32 -10.028 -3.103 -4.573 1.00 0.00 C ATOM 423 C SER A 32 -9.018 -3.929 -5.364 1.00 0.00 C ATOM 424 O SER A 32 -8.153 -3.382 -6.048 1.00 0.00 O ATOM 425 CB SER A 32 -11.132 -2.598 -5.504 1.00 0.00 C ATOM 426 OG SER A 32 -12.146 -3.574 -5.668 1.00 0.00 O ATOM 0 H SER A 32 -9.499 -1.083 -4.371 1.00 0.00 H new ATOM 0 HA SER A 32 -10.471 -3.741 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.565 -1.684 -5.098 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.706 -2.345 -6.475 1.00 0.00 H new ATOM 0 HG SER A 32 -12.841 -3.227 -6.266 1.00 0.00 H new ATOM 432 N THR A 33 -9.136 -5.250 -5.262 1.00 0.00 N ATOM 433 CA THR A 33 -8.233 -6.153 -5.965 1.00 0.00 C ATOM 434 C THR A 33 -8.939 -7.461 -6.317 1.00 0.00 C ATOM 435 O THR A 33 -9.981 -7.783 -5.746 1.00 0.00 O ATOM 436 CB THR A 33 -7.003 -6.436 -5.103 1.00 0.00 C ATOM 437 OG1 THR A 33 -7.381 -6.716 -3.767 1.00 0.00 O ATOM 438 CG2 THR A 33 -6.024 -5.282 -5.070 1.00 0.00 C ATOM 0 H THR A 33 -9.847 -5.717 -4.700 1.00 0.00 H new ATOM 0 HA THR A 33 -7.918 -5.673 -6.892 1.00 0.00 H new ATOM 0 HB THR A 33 -6.516 -7.296 -5.563 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.357 -6.777 -3.709 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.173 -5.545 -4.442 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.677 -5.070 -6.081 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.516 -4.399 -4.663 1.00 0.00 H new ATOM 446 N PRO A 34 -8.381 -8.236 -7.267 1.00 0.00 N ATOM 447 CA PRO A 34 -8.955 -9.512 -7.695 1.00 0.00 C ATOM 448 C PRO A 34 -9.464 -10.343 -6.523 1.00 0.00 C ATOM 449 O PRO A 34 -10.431 -11.093 -6.653 1.00 0.00 O ATOM 450 CB PRO A 34 -7.786 -10.226 -8.399 1.00 0.00 C ATOM 451 CG PRO A 34 -6.603 -9.315 -8.270 1.00 0.00 C ATOM 452 CD PRO A 34 -7.148 -7.941 -8.000 1.00 0.00 C ATOM 0 HA PRO A 34 -9.824 -9.367 -8.337 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.585 -11.193 -7.937 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.019 -10.415 -9.447 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.951 -9.639 -7.459 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.006 -9.323 -9.182 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.458 -7.338 -7.410 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.343 -7.392 -8.921 1.00 0.00 H new ATOM 460 N ASN A 35 -8.813 -10.195 -5.376 1.00 0.00 N ATOM 461 CA ASN A 35 -9.207 -10.924 -4.178 1.00 0.00 C ATOM 462 C ASN A 35 -10.378 -10.228 -3.496 1.00 0.00 C ATOM 463 O ASN A 35 -11.408 -10.845 -3.224 1.00 0.00 O ATOM 464 CB ASN A 35 -8.029 -11.036 -3.208 1.00 0.00 C ATOM 465 CG ASN A 35 -6.947 -11.969 -3.718 1.00 0.00 C ATOM 466 OD1 ASN A 35 -5.778 -11.595 -3.805 1.00 0.00 O ATOM 467 ND2 ASN A 35 -7.334 -13.194 -4.057 1.00 0.00 N ATOM 0 H ASN A 35 -8.011 -9.578 -5.250 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.515 -11.927 -4.472 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.603 -10.046 -3.042 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.389 -11.394 -2.243 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.651 -13.867 -4.405 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.314 -13.462 -3.969 1.00 0.00 H new ATOM 474 N LYS A 36 -10.213 -8.934 -3.228 1.00 0.00 N ATOM 475 CA LYS A 36 -11.255 -8.137 -2.584 1.00 0.00 C ATOM 476 C LYS A 36 -10.717 -6.772 -2.171 1.00 0.00 C ATOM 477 O LYS A 36 -9.549 -6.457 -2.403 1.00 0.00 O ATOM 478 CB LYS A 36 -11.815 -8.863 -1.355 1.00 0.00 C ATOM 479 CG LYS A 36 -10.742 -9.443 -0.448 1.00 0.00 C ATOM 480 CD LYS A 36 -11.332 -10.413 0.564 1.00 0.00 C ATOM 481 CE LYS A 36 -11.649 -11.757 -0.072 1.00 0.00 C ATOM 482 NZ LYS A 36 -13.030 -12.212 0.252 1.00 0.00 N ATOM 0 H LYS A 36 -9.364 -8.414 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 36 -12.058 -7.996 -3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.427 -8.168 -0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.472 -9.667 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.993 -9.956 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.231 -8.635 0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.630 -10.555 1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.241 -9.988 0.990 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.535 -11.683 -1.154 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.931 -12.501 0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.207 -13.132 -0.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.131 -12.307 1.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.717 -11.515 -0.100 1.00 0.00 H new ATOM 496 N ARG A 37 -11.575 -5.966 -1.557 1.00 0.00 N ATOM 497 CA ARG A 37 -11.188 -4.634 -1.109 1.00 0.00 C ATOM 498 C ARG A 37 -10.449 -4.707 0.223 1.00 0.00 C ATOM 499 O ARG A 37 -10.921 -5.331 1.173 1.00 0.00 O ATOM 500 CB ARG A 37 -12.423 -3.739 -0.976 1.00 0.00 C ATOM 501 CG ARG A 37 -12.560 -2.721 -2.096 1.00 0.00 C ATOM 502 CD ARG A 37 -13.511 -1.597 -1.716 1.00 0.00 C ATOM 503 NE ARG A 37 -14.899 -1.924 -2.033 1.00 0.00 N ATOM 504 CZ ARG A 37 -15.712 -2.594 -1.216 1.00 0.00 C ATOM 505 NH1 ARG A 37 -15.286 -3.005 -0.028 1.00 0.00 N ATOM 506 NH2 ARG A 37 -16.959 -2.850 -1.589 1.00 0.00 N ATOM 0 H ARG A 37 -12.545 -6.212 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.518 -4.204 -1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.315 -4.365 -0.955 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.380 -3.214 -0.022 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.581 -2.305 -2.333 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.922 -3.216 -2.997 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.421 -1.391 -0.649 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.224 -0.686 -2.241 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.269 -1.621 -2.934 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.329 -2.809 0.267 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.915 -3.517 0.590 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.294 -2.534 -2.499 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.583 -3.362 -0.966 1.00 0.00 H new ATOM 520 N LEU A 38 -9.284 -4.069 0.285 1.00 0.00 N ATOM 521 CA LEU A 38 -8.479 -4.066 1.501 1.00 0.00 C ATOM 522 C LEU A 38 -8.388 -2.662 2.089 1.00 0.00 C ATOM 523 O LEU A 38 -8.148 -1.691 1.371 1.00 0.00 O ATOM 524 CB LEU A 38 -7.077 -4.605 1.204 1.00 0.00 C ATOM 525 CG LEU A 38 -6.423 -5.391 2.344 1.00 0.00 C ATOM 526 CD1 LEU A 38 -5.985 -4.453 3.456 1.00 0.00 C ATOM 527 CD2 LEU A 38 -7.374 -6.452 2.880 1.00 0.00 C ATOM 0 H LEU A 38 -8.877 -3.548 -0.492 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.962 -4.712 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.131 -5.248 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.431 -3.766 0.945 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.539 -5.893 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.523 -5.029 4.257 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.265 -3.735 3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.853 -3.921 3.846 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.890 -6.999 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.279 -5.974 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.635 -7.144 2.080 1.00 0.00 H new ATOM 539 N TYR A 39 -8.581 -2.563 3.400 1.00 0.00 N ATOM 540 CA TYR A 39 -8.522 -1.278 4.087 1.00 0.00 C ATOM 541 C TYR A 39 -7.153 -1.063 4.725 1.00 0.00 C ATOM 542 O TYR A 39 -6.637 -1.938 5.420 1.00 0.00 O ATOM 543 CB TYR A 39 -9.613 -1.196 5.154 1.00 0.00 C ATOM 544 CG TYR A 39 -11.016 -1.264 4.593 1.00 0.00 C ATOM 545 CD1 TYR A 39 -11.541 -0.212 3.855 1.00 0.00 C ATOM 546 CD2 TYR A 39 -11.814 -2.383 4.801 1.00 0.00 C ATOM 547 CE1 TYR A 39 -12.822 -0.270 3.340 1.00 0.00 C ATOM 548 CE2 TYR A 39 -13.095 -2.449 4.288 1.00 0.00 C ATOM 549 CZ TYR A 39 -13.595 -1.390 3.559 1.00 0.00 C ATOM 550 OH TYR A 39 -14.870 -1.453 3.047 1.00 0.00 O ATOM 0 H TYR A 39 -8.780 -3.357 4.008 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.686 -0.493 3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -9.475 -2.010 5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -9.497 -0.265 5.709 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -10.938 0.667 3.680 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -11.427 -3.214 5.372 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -13.215 0.558 2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -13.702 -3.326 4.457 1.00 0.00 H new ATOM 0 HH TYR A 39 -15.279 -2.310 3.291 1.00 0.00 H new ATOM 560 N LYS A 40 -6.571 0.107 4.484 1.00 0.00 N ATOM 561 CA LYS A 40 -5.262 0.438 5.036 1.00 0.00 C ATOM 562 C LYS A 40 -5.198 1.908 5.438 1.00 0.00 C ATOM 563 O LYS A 40 -6.132 2.670 5.191 1.00 0.00 O ATOM 564 CB LYS A 40 -4.162 0.127 4.019 1.00 0.00 C ATOM 565 CG LYS A 40 -3.967 -1.360 3.769 1.00 0.00 C ATOM 566 CD LYS A 40 -3.254 -1.613 2.451 1.00 0.00 C ATOM 567 CE LYS A 40 -4.240 -1.772 1.305 1.00 0.00 C ATOM 568 NZ LYS A 40 -3.581 -1.618 -0.020 1.00 0.00 N ATOM 0 H LYS A 40 -6.985 0.842 3.910 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.106 -0.171 5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.402 0.617 3.075 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.223 0.554 4.370 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.390 -1.795 4.585 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.936 -1.859 3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -2.577 -0.786 2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.643 -2.512 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.710 -2.753 1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.034 -1.032 1.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.204 -1.993 -0.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.395 -0.611 -0.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.683 -2.142 -0.024 1.00 0.00 H new ATOM 582 N ARG A 41 -4.089 2.299 6.058 1.00 0.00 N ATOM 583 CA ARG A 41 -3.902 3.678 6.494 1.00 0.00 C ATOM 584 C ARG A 41 -2.681 4.300 5.824 1.00 0.00 C ATOM 585 O ARG A 41 -1.793 3.591 5.351 1.00 0.00 O ATOM 586 CB ARG A 41 -3.749 3.737 8.015 1.00 0.00 C ATOM 587 CG ARG A 41 -5.073 3.752 8.761 1.00 0.00 C ATOM 588 CD ARG A 41 -4.941 3.134 10.143 1.00 0.00 C ATOM 589 NE ARG A 41 -4.214 4.004 11.065 1.00 0.00 N ATOM 590 CZ ARG A 41 -4.132 3.791 12.377 1.00 0.00 C ATOM 591 NH1 ARG A 41 -4.727 2.739 12.924 1.00 0.00 N ATOM 592 NH2 ARG A 41 -3.451 4.632 13.143 1.00 0.00 N ATOM 0 H ARG A 41 -3.306 1.680 6.270 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.784 4.248 6.202 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.165 2.878 8.346 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -3.182 4.630 8.280 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.428 4.778 8.853 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.821 3.206 8.187 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.933 2.929 10.545 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.425 2.177 10.064 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.742 4.822 10.681 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.251 2.088 12.339 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.661 2.581 13.930 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.990 5.442 12.727 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.388 4.469 14.148 1.00 0.00 H new ATOM 606 N TYR A 42 -2.641 5.627 5.789 1.00 0.00 N ATOM 607 CA TYR A 42 -1.527 6.343 5.178 1.00 0.00 C ATOM 608 C TYR A 42 -0.211 5.975 5.853 1.00 0.00 C ATOM 609 O TYR A 42 0.719 5.493 5.205 1.00 0.00 O ATOM 610 CB TYR A 42 -1.752 7.854 5.266 1.00 0.00 C ATOM 611 CG TYR A 42 -0.747 8.664 4.480 1.00 0.00 C ATOM 612 CD1 TYR A 42 -0.352 8.269 3.207 1.00 0.00 C ATOM 613 CD2 TYR A 42 -0.192 9.822 5.009 1.00 0.00 C ATOM 614 CE1 TYR A 42 0.567 9.006 2.485 1.00 0.00 C ATOM 615 CE2 TYR A 42 0.727 10.565 4.293 1.00 0.00 C ATOM 616 CZ TYR A 42 1.104 10.153 3.032 1.00 0.00 C ATOM 617 OH TYR A 42 2.019 10.889 2.316 1.00 0.00 O ATOM 0 H TYR A 42 -3.367 6.229 6.177 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.473 6.052 4.129 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.754 8.085 4.905 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.712 8.158 6.312 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -0.770 7.372 2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.484 10.147 5.997 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.864 8.686 1.497 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.148 11.464 4.719 1.00 0.00 H new ATOM 0 HH TYR A 42 2.797 10.331 2.108 1.00 0.00 H new ATOM 627 N SER A 43 -0.140 6.202 7.160 1.00 0.00 N ATOM 628 CA SER A 43 1.060 5.891 7.927 1.00 0.00 C ATOM 629 C SER A 43 1.424 4.416 7.793 1.00 0.00 C ATOM 630 O SER A 43 2.585 4.036 7.950 1.00 0.00 O ATOM 631 CB SER A 43 0.857 6.246 9.401 1.00 0.00 C ATOM 632 OG SER A 43 2.086 6.580 10.021 1.00 0.00 O ATOM 0 H SER A 43 -0.900 6.601 7.711 1.00 0.00 H new ATOM 0 HA SER A 43 1.880 6.488 7.527 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.165 7.084 9.484 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.401 5.404 9.921 1.00 0.00 H new ATOM 0 HG SER A 43 1.928 6.804 10.962 1.00 0.00 H new ATOM 638 N GLU A 44 0.426 3.586 7.503 1.00 0.00 N ATOM 639 CA GLU A 44 0.644 2.154 7.351 1.00 0.00 C ATOM 640 C GLU A 44 1.474 1.860 6.105 1.00 0.00 C ATOM 641 O GLU A 44 2.251 0.905 6.074 1.00 0.00 O ATOM 642 CB GLU A 44 -0.694 1.415 7.276 1.00 0.00 C ATOM 643 CG GLU A 44 -0.558 -0.098 7.331 1.00 0.00 C ATOM 644 CD GLU A 44 -1.897 -0.799 7.441 1.00 0.00 C ATOM 645 OE1 GLU A 44 -2.589 -0.602 8.462 1.00 0.00 O ATOM 646 OE2 GLU A 44 -2.255 -1.545 6.506 1.00 0.00 O ATOM 0 H GLU A 44 -0.541 3.882 7.369 1.00 0.00 H new ATOM 0 HA GLU A 44 1.194 1.801 8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.328 1.744 8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.201 1.692 6.352 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.042 -0.446 6.436 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.063 -0.373 8.184 1.00 0.00 H new ATOM 653 N PHE A 45 1.312 2.689 5.080 1.00 0.00 N ATOM 654 CA PHE A 45 2.056 2.515 3.841 1.00 0.00 C ATOM 655 C PHE A 45 3.522 2.876 4.045 1.00 0.00 C ATOM 656 O PHE A 45 4.417 2.191 3.550 1.00 0.00 O ATOM 657 CB PHE A 45 1.451 3.376 2.729 1.00 0.00 C ATOM 658 CG PHE A 45 0.777 2.576 1.650 1.00 0.00 C ATOM 659 CD1 PHE A 45 1.522 1.985 0.641 1.00 0.00 C ATOM 660 CD2 PHE A 45 -0.598 2.414 1.646 1.00 0.00 C ATOM 661 CE1 PHE A 45 0.905 1.248 -0.353 1.00 0.00 C ATOM 662 CE2 PHE A 45 -1.221 1.678 0.655 1.00 0.00 C ATOM 663 CZ PHE A 45 -0.468 1.095 -0.345 1.00 0.00 C ATOM 0 H PHE A 45 0.674 3.485 5.083 1.00 0.00 H new ATOM 0 HA PHE A 45 1.992 1.468 3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.727 4.064 3.166 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.238 3.983 2.282 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.596 2.102 0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.191 2.868 2.426 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.495 0.793 -1.134 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.294 1.559 0.663 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.952 0.520 -1.120 1.00 0.00 H new ATOM 673 N TRP A 46 3.761 3.955 4.784 1.00 0.00 N ATOM 674 CA TRP A 46 5.119 4.406 5.057 1.00 0.00 C ATOM 675 C TRP A 46 5.879 3.378 5.891 1.00 0.00 C ATOM 676 O TRP A 46 7.047 3.095 5.625 1.00 0.00 O ATOM 677 CB TRP A 46 5.101 5.756 5.779 1.00 0.00 C ATOM 678 CG TRP A 46 6.468 6.248 6.150 1.00 0.00 C ATOM 679 CD1 TRP A 46 7.022 6.266 7.396 1.00 0.00 C ATOM 680 CD2 TRP A 46 7.455 6.789 5.263 1.00 0.00 C ATOM 681 NE1 TRP A 46 8.293 6.784 7.341 1.00 0.00 N ATOM 682 CE2 TRP A 46 8.582 7.114 6.042 1.00 0.00 C ATOM 683 CE3 TRP A 46 7.495 7.031 3.888 1.00 0.00 C ATOM 684 CZ2 TRP A 46 9.734 7.666 5.490 1.00 0.00 C ATOM 685 CZ3 TRP A 46 8.640 7.579 3.340 1.00 0.00 C ATOM 686 CH2 TRP A 46 9.746 7.891 4.141 1.00 0.00 C ATOM 0 H TRP A 46 3.032 4.532 5.204 1.00 0.00 H new ATOM 0 HA TRP A 46 5.632 4.522 4.102 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.617 6.495 5.141 1.00 0.00 H new ATOM 0 HB3 TRP A 46 4.496 5.670 6.682 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.532 5.923 8.295 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.920 6.904 8.137 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.646 6.794 3.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.588 7.908 6.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 8.682 7.769 2.278 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.626 8.318 3.684 1.00 0.00 H new ATOM 697 N LYS A 47 5.215 2.822 6.902 1.00 0.00 N ATOM 698 CA LYS A 47 5.848 1.829 7.764 1.00 0.00 C ATOM 699 C LYS A 47 6.230 0.587 6.966 1.00 0.00 C ATOM 700 O LYS A 47 7.187 -0.106 7.305 1.00 0.00 O ATOM 701 CB LYS A 47 4.920 1.447 8.918 1.00 0.00 C ATOM 702 CG LYS A 47 3.663 0.718 8.474 1.00 0.00 C ATOM 703 CD LYS A 47 2.984 0.017 9.638 1.00 0.00 C ATOM 704 CE LYS A 47 3.294 -1.472 9.651 1.00 0.00 C ATOM 705 NZ LYS A 47 4.729 -1.739 9.942 1.00 0.00 N ATOM 0 H LYS A 47 4.248 3.040 7.142 1.00 0.00 H new ATOM 0 HA LYS A 47 6.755 2.270 8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.467 0.816 9.619 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.634 2.350 9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.970 1.428 8.022 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.917 -0.013 7.706 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.312 0.466 10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.906 0.165 9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.674 -1.965 10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.033 -1.905 8.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.895 -2.766 9.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.319 -1.305 9.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.977 -1.334 10.867 1.00 0.00 H new ATOM 719 N LEU A 48 5.479 0.314 5.903 1.00 0.00 N ATOM 720 CA LEU A 48 5.746 -0.843 5.058 1.00 0.00 C ATOM 721 C LEU A 48 6.900 -0.565 4.097 1.00 0.00 C ATOM 722 O LEU A 48 7.551 -1.487 3.610 1.00 0.00 O ATOM 723 CB LEU A 48 4.490 -1.222 4.268 1.00 0.00 C ATOM 724 CG LEU A 48 4.692 -2.307 3.209 1.00 0.00 C ATOM 725 CD1 LEU A 48 4.986 -3.644 3.866 1.00 0.00 C ATOM 726 CD2 LEU A 48 3.469 -2.409 2.308 1.00 0.00 C ATOM 0 H LEU A 48 4.682 0.878 5.607 1.00 0.00 H new ATOM 0 HA LEU A 48 6.029 -1.675 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.726 -1.558 4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.103 -0.327 3.780 1.00 0.00 H new ATOM 0 HG LEU A 48 5.548 -2.032 2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.127 -4.404 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.892 -3.563 4.466 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.150 -3.926 4.506 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.631 -3.186 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.595 -2.660 2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.304 -1.454 1.809 1.00 0.00 H new ATOM 738 N LYS A 49 7.141 0.713 3.822 1.00 0.00 N ATOM 739 CA LYS A 49 8.208 1.113 2.911 1.00 0.00 C ATOM 740 C LYS A 49 9.585 0.937 3.550 1.00 0.00 C ATOM 741 O LYS A 49 10.352 0.056 3.161 1.00 0.00 O ATOM 742 CB LYS A 49 8.014 2.569 2.482 1.00 0.00 C ATOM 743 CG LYS A 49 7.768 2.735 0.991 1.00 0.00 C ATOM 744 CD LYS A 49 7.746 4.202 0.588 1.00 0.00 C ATOM 745 CE LYS A 49 9.054 4.897 0.934 1.00 0.00 C ATOM 746 NZ LYS A 49 9.570 5.709 -0.202 1.00 0.00 N ATOM 0 H LYS A 49 6.611 1.490 4.217 1.00 0.00 H new ATOM 0 HA LYS A 49 8.159 0.467 2.035 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.172 2.992 3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.897 3.143 2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.547 2.215 0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.819 2.269 0.724 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.563 4.283 -0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 49 6.921 4.706 1.092 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.905 5.540 1.801 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.798 4.151 1.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.548 5.427 -0.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.975 5.551 -1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.548 6.717 0.053 1.00 0.00 H new ATOM 760 N THR A 50 9.896 1.790 4.521 1.00 0.00 N ATOM 761 CA THR A 50 11.187 1.744 5.206 1.00 0.00 C ATOM 762 C THR A 50 11.501 0.343 5.725 1.00 0.00 C ATOM 763 O THR A 50 12.667 -0.044 5.812 1.00 0.00 O ATOM 764 CB THR A 50 11.221 2.755 6.357 1.00 0.00 C ATOM 765 OG1 THR A 50 12.253 2.439 7.275 1.00 0.00 O ATOM 766 CG2 THR A 50 9.923 2.833 7.133 1.00 0.00 C ATOM 0 H THR A 50 9.271 2.524 4.853 1.00 0.00 H new ATOM 0 HA THR A 50 11.953 2.009 4.478 1.00 0.00 H new ATOM 0 HB THR A 50 11.396 3.720 5.882 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.258 3.097 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.020 3.568 7.932 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.116 3.130 6.463 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.697 1.857 7.563 1.00 0.00 H new ATOM 774 N ARG A 51 10.468 -0.416 6.069 1.00 0.00 N ATOM 775 CA ARG A 51 10.665 -1.770 6.573 1.00 0.00 C ATOM 776 C ARG A 51 11.333 -2.641 5.514 1.00 0.00 C ATOM 777 O ARG A 51 12.445 -3.130 5.713 1.00 0.00 O ATOM 778 CB ARG A 51 9.333 -2.384 6.997 1.00 0.00 C ATOM 779 CG ARG A 51 9.486 -3.531 7.984 1.00 0.00 C ATOM 780 CD ARG A 51 8.753 -3.250 9.287 1.00 0.00 C ATOM 781 NE ARG A 51 8.382 -4.479 9.984 1.00 0.00 N ATOM 782 CZ ARG A 51 9.230 -5.209 10.705 1.00 0.00 C ATOM 783 NH1 ARG A 51 10.500 -4.840 10.824 1.00 0.00 N ATOM 784 NH2 ARG A 51 8.808 -6.312 11.309 1.00 0.00 N ATOM 0 H ARG A 51 9.493 -0.121 6.009 1.00 0.00 H new ATOM 0 HA ARG A 51 11.317 -1.719 7.445 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.710 -1.610 7.444 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.808 -2.743 6.112 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.100 -4.448 7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.544 -3.697 8.189 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.385 -2.643 9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.856 -2.666 9.079 1.00 0.00 H new ATOM 0 HE ARG A 51 7.415 -4.797 9.914 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.830 -3.993 10.362 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.145 -5.403 11.378 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.834 -6.601 11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.458 -6.871 11.861 1.00 0.00 H new ATOM 798 N LEU A 52 10.651 -2.824 4.385 1.00 0.00 N ATOM 799 CA LEU A 52 11.180 -3.627 3.284 1.00 0.00 C ATOM 800 C LEU A 52 12.639 -3.277 3.008 1.00 0.00 C ATOM 801 O LEU A 52 13.424 -4.124 2.583 1.00 0.00 O ATOM 802 CB LEU A 52 10.353 -3.409 2.014 1.00 0.00 C ATOM 803 CG LEU A 52 8.871 -3.755 2.138 1.00 0.00 C ATOM 804 CD1 LEU A 52 8.074 -3.110 1.014 1.00 0.00 C ATOM 805 CD2 LEU A 52 8.672 -5.262 2.137 1.00 0.00 C ATOM 0 H LEU A 52 9.729 -2.426 4.208 1.00 0.00 H new ATOM 0 HA LEU A 52 11.118 -4.675 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.442 -2.364 1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.784 -4.008 1.211 1.00 0.00 H new ATOM 0 HG LEU A 52 8.506 -3.361 3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.020 -3.369 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.188 -2.027 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.441 -3.472 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.610 -5.489 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.055 -5.679 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.208 -5.700 2.979 1.00 0.00 H new ATOM 817 N GLU A 53 12.994 -2.020 3.255 1.00 0.00 N ATOM 818 CA GLU A 53 14.358 -1.557 3.035 1.00 0.00 C ATOM 819 C GLU A 53 15.321 -2.244 3.999 1.00 0.00 C ATOM 820 O GLU A 53 16.435 -2.610 3.626 1.00 0.00 O ATOM 821 CB GLU A 53 14.441 -0.039 3.202 1.00 0.00 C ATOM 822 CG GLU A 53 14.367 0.722 1.888 1.00 0.00 C ATOM 823 CD GLU A 53 15.707 1.296 1.471 1.00 0.00 C ATOM 824 OE1 GLU A 53 16.739 0.641 1.728 1.00 0.00 O ATOM 825 OE2 GLU A 53 15.724 2.400 0.885 1.00 0.00 O ATOM 0 H GLU A 53 12.357 -1.306 3.607 1.00 0.00 H new ATOM 0 HA GLU A 53 14.645 -1.814 2.015 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.630 0.292 3.850 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.374 0.212 3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.002 0.056 1.106 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.642 1.531 1.981 1.00 0.00 H new ATOM 832 N ARG A 54 14.881 -2.413 5.242 1.00 0.00 N ATOM 833 CA ARG A 54 15.699 -3.056 6.264 1.00 0.00 C ATOM 834 C ARG A 54 15.457 -4.563 6.295 1.00 0.00 C ATOM 835 O ARG A 54 16.315 -5.329 6.732 1.00 0.00 O ATOM 836 CB ARG A 54 15.400 -2.453 7.638 1.00 0.00 C ATOM 837 CG ARG A 54 15.468 -0.935 7.663 1.00 0.00 C ATOM 838 CD ARG A 54 16.858 -0.445 8.032 1.00 0.00 C ATOM 839 NE ARG A 54 17.105 -0.528 9.470 1.00 0.00 N ATOM 840 CZ ARG A 54 16.527 0.266 10.369 1.00 0.00 C ATOM 841 NH1 ARG A 54 15.667 1.201 9.983 1.00 0.00 N ATOM 842 NH2 ARG A 54 16.809 0.124 11.656 1.00 0.00 N ATOM 0 H ARG A 54 13.961 -2.113 5.566 1.00 0.00 H new ATOM 0 HA ARG A 54 16.746 -2.882 6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.407 -2.769 7.956 1.00 0.00 H new ATOM 0 HB3 ARG A 54 16.109 -2.852 8.363 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.190 -0.541 6.685 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.743 -0.549 8.380 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.604 -1.037 7.502 1.00 0.00 H new ATOM 0 HD3 ARG A 54 16.978 0.587 7.703 1.00 0.00 H new ATOM 0 HE ARG A 54 17.759 -1.236 9.805 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.446 1.314 8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.227 1.807 10.676 1.00 0.00 H new ATOM 0 HH21 ARG A 54 17.469 -0.593 11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.367 0.732 12.345 1.00 0.00 H new ATOM 856 N ASP A 55 14.284 -4.983 5.828 1.00 0.00 N ATOM 857 CA ASP A 55 13.935 -6.399 5.806 1.00 0.00 C ATOM 858 C ASP A 55 14.470 -7.068 4.545 1.00 0.00 C ATOM 859 O ASP A 55 15.058 -8.148 4.603 1.00 0.00 O ATOM 860 CB ASP A 55 12.417 -6.573 5.885 1.00 0.00 C ATOM 861 CG ASP A 55 12.016 -7.800 6.682 1.00 0.00 C ATOM 862 OD1 ASP A 55 12.417 -8.917 6.294 1.00 0.00 O ATOM 863 OD2 ASP A 55 11.303 -7.642 7.695 1.00 0.00 O ATOM 0 H ASP A 55 13.561 -4.364 5.461 1.00 0.00 H new ATOM 0 HA ASP A 55 14.393 -6.876 6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.976 -5.687 6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.010 -6.649 4.877 1.00 0.00 H new ATOM 868 N VAL A 56 14.262 -6.415 3.407 1.00 0.00 N ATOM 869 CA VAL A 56 14.725 -6.940 2.130 1.00 0.00 C ATOM 870 C VAL A 56 16.178 -6.556 1.881 1.00 0.00 C ATOM 871 O VAL A 56 16.932 -7.304 1.258 1.00 0.00 O ATOM 872 CB VAL A 56 13.866 -6.415 0.965 1.00 0.00 C ATOM 873 CG1 VAL A 56 14.233 -7.123 -0.329 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.385 -6.580 1.273 1.00 0.00 C ATOM 0 H VAL A 56 13.775 -5.521 3.344 1.00 0.00 H new ATOM 0 HA VAL A 56 14.636 -8.025 2.179 1.00 0.00 H new ATOM 0 HB VAL A 56 14.068 -5.351 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.616 -6.739 -1.141 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.284 -6.944 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.063 -8.194 -0.219 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.795 -6.203 0.437 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.161 -7.635 1.428 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.136 -6.020 2.174 1.00 0.00 H new ATOM 884 N GLY A 57 16.560 -5.383 2.371 1.00 0.00 N ATOM 885 CA GLY A 57 17.919 -4.912 2.193 1.00 0.00 C ATOM 886 C GLY A 57 18.132 -4.250 0.846 1.00 0.00 C ATOM 887 O GLY A 57 19.263 -4.139 0.372 1.00 0.00 O ATOM 0 H GLY A 57 15.951 -4.749 2.889 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.161 -4.203 2.985 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.607 -5.751 2.295 1.00 0.00 H new ATOM 891 N SER A 58 17.041 -3.808 0.226 1.00 0.00 N ATOM 892 CA SER A 58 17.114 -3.153 -1.074 1.00 0.00 C ATOM 893 C SER A 58 16.378 -1.818 -1.052 1.00 0.00 C ATOM 894 O SER A 58 15.439 -1.629 -0.279 1.00 0.00 O ATOM 895 CB SER A 58 16.524 -4.060 -2.158 1.00 0.00 C ATOM 896 OG SER A 58 17.540 -4.570 -3.004 1.00 0.00 O ATOM 0 H SER A 58 16.097 -3.892 0.604 1.00 0.00 H new ATOM 0 HA SER A 58 18.163 -2.963 -1.301 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.985 -4.886 -1.693 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.800 -3.501 -2.750 1.00 0.00 H new ATOM 0 HG SER A 58 17.174 -4.721 -3.900 1.00 0.00 H new ATOM 902 N THR A 59 16.810 -0.896 -1.905 1.00 0.00 N ATOM 903 CA THR A 59 16.191 0.422 -1.983 1.00 0.00 C ATOM 904 C THR A 59 14.847 0.347 -2.700 1.00 0.00 C ATOM 905 O THR A 59 14.780 0.001 -3.879 1.00 0.00 O ATOM 906 CB THR A 59 17.117 1.407 -2.703 1.00 0.00 C ATOM 907 OG1 THR A 59 18.251 0.742 -3.229 1.00 0.00 O ATOM 908 CG2 THR A 59 17.612 2.522 -1.808 1.00 0.00 C ATOM 0 H THR A 59 17.586 -1.037 -2.552 1.00 0.00 H new ATOM 0 HA THR A 59 16.022 0.777 -0.967 1.00 0.00 H new ATOM 0 HB THR A 59 16.513 1.841 -3.500 1.00 0.00 H new ATOM 0 HG1 THR A 59 18.827 1.390 -3.686 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.263 3.185 -2.378 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.762 3.088 -1.428 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.169 2.098 -0.972 1.00 0.00 H new ATOM 916 N ILE A 60 13.779 0.675 -1.979 1.00 0.00 N ATOM 917 CA ILE A 60 12.438 0.644 -2.548 1.00 0.00 C ATOM 918 C ILE A 60 12.291 1.691 -3.655 1.00 0.00 C ATOM 919 O ILE A 60 12.565 2.872 -3.440 1.00 0.00 O ATOM 920 CB ILE A 60 11.366 0.876 -1.463 1.00 0.00 C ATOM 921 CG1 ILE A 60 9.976 0.563 -2.015 1.00 0.00 C ATOM 922 CG2 ILE A 60 11.426 2.303 -0.937 1.00 0.00 C ATOM 923 CD1 ILE A 60 9.478 -0.818 -1.646 1.00 0.00 C ATOM 0 H ILE A 60 13.817 0.965 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 60 12.288 -0.347 -2.977 1.00 0.00 H new ATOM 0 HB ILE A 60 11.569 0.202 -0.631 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.270 1.306 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.995 0.656 -3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.661 2.442 -0.173 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.409 2.490 -0.504 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.252 3.000 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.486 -0.973 -2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.163 -1.569 -2.040 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.426 -0.908 -0.561 1.00 0.00 H new ATOM 935 N PRO A 61 11.873 1.270 -4.865 1.00 0.00 N ATOM 936 CA PRO A 61 11.714 2.173 -6.005 1.00 0.00 C ATOM 937 C PRO A 61 10.343 2.843 -6.066 1.00 0.00 C ATOM 938 O PRO A 61 9.750 2.959 -7.138 1.00 0.00 O ATOM 939 CB PRO A 61 11.897 1.232 -7.191 1.00 0.00 C ATOM 940 CG PRO A 61 11.338 -0.070 -6.724 1.00 0.00 C ATOM 941 CD PRO A 61 11.543 -0.122 -5.229 1.00 0.00 C ATOM 0 HA PRO A 61 12.415 3.007 -5.965 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.370 1.597 -8.072 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.948 1.138 -7.464 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.279 -0.147 -6.972 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.841 -0.904 -7.212 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.646 -0.467 -4.715 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.348 -0.806 -4.960 1.00 0.00 H new ATOM 949 N TYR A 62 9.844 3.290 -4.917 1.00 0.00 N ATOM 950 CA TYR A 62 8.547 3.955 -4.861 1.00 0.00 C ATOM 951 C TYR A 62 8.676 5.352 -4.265 1.00 0.00 C ATOM 952 O TYR A 62 9.440 5.568 -3.323 1.00 0.00 O ATOM 953 CB TYR A 62 7.556 3.123 -4.048 1.00 0.00 C ATOM 954 CG TYR A 62 7.197 1.811 -4.706 1.00 0.00 C ATOM 955 CD1 TYR A 62 6.648 1.779 -5.981 1.00 0.00 C ATOM 956 CD2 TYR A 62 7.412 0.606 -4.053 1.00 0.00 C ATOM 957 CE1 TYR A 62 6.323 0.581 -6.586 1.00 0.00 C ATOM 958 CE2 TYR A 62 7.091 -0.596 -4.651 1.00 0.00 C ATOM 959 CZ TYR A 62 6.546 -0.605 -5.918 1.00 0.00 C ATOM 960 OH TYR A 62 6.223 -1.801 -6.520 1.00 0.00 O ATOM 0 H TYR A 62 10.316 3.204 -4.017 1.00 0.00 H new ATOM 0 HA TYR A 62 8.172 4.052 -5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 62 7.981 2.924 -3.064 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.647 3.704 -3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.472 2.705 -6.508 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.838 0.608 -3.060 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.896 0.573 -7.578 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.266 -1.525 -4.129 1.00 0.00 H new ATOM 0 HH TYR A 62 5.268 -1.981 -6.397 1.00 0.00 H new ATOM 970 N ASP A 63 7.930 6.299 -4.824 1.00 0.00 N ATOM 971 CA ASP A 63 7.966 7.679 -4.354 1.00 0.00 C ATOM 972 C ASP A 63 7.045 7.878 -3.154 1.00 0.00 C ATOM 973 O ASP A 63 5.840 7.647 -3.238 1.00 0.00 O ATOM 974 CB ASP A 63 7.565 8.632 -5.480 1.00 0.00 C ATOM 975 CG ASP A 63 6.179 8.338 -6.020 1.00 0.00 C ATOM 976 OD1 ASP A 63 6.050 7.418 -6.856 1.00 0.00 O ATOM 977 OD2 ASP A 63 5.222 9.026 -5.608 1.00 0.00 O ATOM 0 H ASP A 63 7.293 6.136 -5.604 1.00 0.00 H new ATOM 0 HA ASP A 63 8.987 7.900 -4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.599 9.658 -5.113 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.291 8.559 -6.290 1.00 0.00 H new ATOM 982 N PHE A 64 7.623 8.316 -2.041 1.00 0.00 N ATOM 983 CA PHE A 64 6.858 8.556 -0.823 1.00 0.00 C ATOM 984 C PHE A 64 7.505 9.663 0.007 1.00 0.00 C ATOM 985 O PHE A 64 8.438 9.413 0.771 1.00 0.00 O ATOM 986 CB PHE A 64 6.759 7.273 0.003 1.00 0.00 C ATOM 987 CG PHE A 64 5.446 7.119 0.715 1.00 0.00 C ATOM 988 CD1 PHE A 64 5.087 7.991 1.732 1.00 0.00 C ATOM 989 CD2 PHE A 64 4.570 6.103 0.369 1.00 0.00 C ATOM 990 CE1 PHE A 64 3.880 7.852 2.389 1.00 0.00 C ATOM 991 CE2 PHE A 64 3.360 5.959 1.022 1.00 0.00 C ATOM 992 CZ PHE A 64 3.015 6.834 2.033 1.00 0.00 C ATOM 0 H PHE A 64 8.620 8.512 -1.957 1.00 0.00 H new ATOM 0 HA PHE A 64 5.854 8.873 -1.105 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.910 6.416 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.565 7.260 0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.759 8.788 2.014 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.836 5.415 -0.420 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.612 8.537 3.180 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.686 5.163 0.742 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.071 6.723 2.545 1.00 0.00 H new ATOM 1002 N PRO A 65 7.022 10.911 -0.136 1.00 0.00 N ATOM 1003 CA PRO A 65 7.560 12.054 0.594 1.00 0.00 C ATOM 1004 C PRO A 65 6.937 12.221 1.976 1.00 0.00 C ATOM 1005 O PRO A 65 5.719 12.133 2.136 1.00 0.00 O ATOM 1006 CB PRO A 65 7.183 13.227 -0.306 1.00 0.00 C ATOM 1007 CG PRO A 65 5.893 12.816 -0.934 1.00 0.00 C ATOM 1008 CD PRO A 65 5.919 11.308 -1.033 1.00 0.00 C ATOM 0 HA PRO A 65 8.628 11.955 0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 65 7.070 14.147 0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.950 13.412 -1.058 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.047 13.150 -0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.782 13.267 -1.920 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.971 10.871 -0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.098 10.978 -2.056 1.00 0.00 H new ATOM 1016 N GLU A 66 7.782 12.473 2.969 1.00 0.00 N ATOM 1017 CA GLU A 66 7.324 12.665 4.339 1.00 0.00 C ATOM 1018 C GLU A 66 8.455 13.195 5.217 1.00 0.00 C ATOM 1019 O GLU A 66 9.632 13.048 4.885 1.00 0.00 O ATOM 1020 CB GLU A 66 6.765 11.354 4.911 1.00 0.00 C ATOM 1021 CG GLU A 66 7.830 10.376 5.389 1.00 0.00 C ATOM 1022 CD GLU A 66 7.661 9.994 6.846 1.00 0.00 C ATOM 1023 OE1 GLU A 66 6.858 9.080 7.130 1.00 0.00 O ATOM 1024 OE2 GLU A 66 8.329 10.609 7.702 1.00 0.00 O ATOM 0 H GLU A 66 8.792 12.549 2.850 1.00 0.00 H new ATOM 0 HA GLU A 66 6.523 13.405 4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.102 11.588 5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.158 10.868 4.148 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.793 9.476 4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.815 10.819 5.246 1.00 0.00 H new ATOM 1031 N LYS A 67 8.091 13.812 6.334 1.00 0.00 N ATOM 1032 CA LYS A 67 9.075 14.365 7.257 1.00 0.00 C ATOM 1033 C LYS A 67 8.511 14.449 8.675 1.00 0.00 C ATOM 1034 O LYS A 67 7.569 15.199 8.929 1.00 0.00 O ATOM 1035 CB LYS A 67 9.516 15.753 6.791 1.00 0.00 C ATOM 1036 CG LYS A 67 10.496 15.723 5.630 1.00 0.00 C ATOM 1037 CD LYS A 67 11.499 16.862 5.718 1.00 0.00 C ATOM 1038 CE LYS A 67 12.822 16.494 5.066 1.00 0.00 C ATOM 1039 NZ LYS A 67 13.949 16.528 6.039 1.00 0.00 N ATOM 0 H LYS A 67 7.122 13.942 6.623 1.00 0.00 H new ATOM 0 HA LYS A 67 9.938 13.699 7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.636 16.325 6.498 1.00 0.00 H new ATOM 0 HB3 LYS A 67 9.974 16.280 7.628 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.025 14.770 5.624 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.949 15.790 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.088 17.748 5.234 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.667 17.120 6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 67 12.748 15.497 4.631 1.00 0.00 H new ATOM 0 HE3 LYS A 67 13.028 17.184 4.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 14.833 16.271 5.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 14.037 17.486 6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 13.765 15.851 6.807 1.00 0.00 H new ATOM 1053 N PRO A 68 9.079 13.683 9.624 1.00 0.00 N ATOM 1054 CA PRO A 68 8.618 13.690 11.017 1.00 0.00 C ATOM 1055 C PRO A 68 8.647 15.086 11.627 1.00 0.00 C ATOM 1056 O PRO A 68 9.575 15.860 11.388 1.00 0.00 O ATOM 1057 CB PRO A 68 9.614 12.775 11.736 1.00 0.00 C ATOM 1058 CG PRO A 68 10.186 11.913 10.664 1.00 0.00 C ATOM 1059 CD PRO A 68 10.209 12.758 9.423 1.00 0.00 C ATOM 0 HA PRO A 68 7.583 13.359 11.101 1.00 0.00 H new ATOM 0 HB2 PRO A 68 10.392 13.353 12.235 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.120 12.177 12.502 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.189 11.578 10.927 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.580 11.019 10.517 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.153 13.293 9.317 1.00 0.00 H new ATOM 0 HD3 PRO A 68 10.081 12.156 8.523 1.00 0.00 H new ATOM 1067 N GLY A 69 7.625 15.404 12.415 1.00 0.00 N ATOM 1068 CA GLY A 69 7.549 16.709 13.050 1.00 0.00 C ATOM 1069 C GLY A 69 7.797 17.849 12.081 1.00 0.00 C ATOM 1070 O GLY A 69 8.736 18.626 12.253 1.00 0.00 O ATOM 0 H GLY A 69 6.846 14.780 12.626 1.00 0.00 H new ATOM 0 HA2 GLY A 69 6.565 16.831 13.503 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.280 16.759 13.857 1.00 0.00 H new ATOM 1074 N VAL A 70 6.951 17.947 11.063 1.00 0.00 N ATOM 1075 CA VAL A 70 7.073 18.996 10.059 1.00 0.00 C ATOM 1076 C VAL A 70 7.134 20.381 10.707 1.00 0.00 C ATOM 1077 O VAL A 70 7.671 21.325 10.128 1.00 0.00 O ATOM 1078 CB VAL A 70 5.901 18.927 9.050 1.00 0.00 C ATOM 1079 CG1 VAL A 70 4.915 20.074 9.248 1.00 0.00 C ATOM 1080 CG2 VAL A 70 6.430 18.909 7.627 1.00 0.00 C ATOM 0 H VAL A 70 6.170 17.309 10.911 1.00 0.00 H new ATOM 0 HA VAL A 70 8.007 18.832 9.522 1.00 0.00 H new ATOM 0 HB VAL A 70 5.358 18.000 9.234 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.108 19.989 8.521 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.502 20.029 10.256 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.430 21.025 9.109 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.594 18.860 6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.006 19.816 7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.070 18.038 7.488 1.00 0.00 H new ATOM 1090 N LEU A 71 6.570 20.490 11.910 1.00 0.00 N ATOM 1091 CA LEU A 71 6.546 21.752 12.649 1.00 0.00 C ATOM 1092 C LEU A 71 5.432 22.657 12.135 1.00 0.00 C ATOM 1093 O LEU A 71 5.667 23.812 11.778 1.00 0.00 O ATOM 1094 CB LEU A 71 7.897 22.470 12.552 1.00 0.00 C ATOM 1095 CG LEU A 71 8.286 23.287 13.786 1.00 0.00 C ATOM 1096 CD1 LEU A 71 7.211 24.312 14.108 1.00 0.00 C ATOM 1097 CD2 LEU A 71 8.523 22.370 14.977 1.00 0.00 C ATOM 0 H LEU A 71 6.121 19.714 12.396 1.00 0.00 H new ATOM 0 HA LEU A 71 6.353 21.522 13.697 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.673 21.728 12.367 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.878 23.133 11.687 1.00 0.00 H new ATOM 0 HG LEU A 71 9.213 23.818 13.570 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.505 24.883 14.988 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.087 24.988 13.262 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.269 23.801 14.305 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.799 22.967 15.846 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.612 21.812 15.194 1.00 0.00 H new ATOM 0 HD23 LEU A 71 9.328 21.673 14.745 1.00 0.00 H new ATOM 1109 N ASP A 72 4.215 22.123 12.104 1.00 0.00 N ATOM 1110 CA ASP A 72 3.059 22.879 11.636 1.00 0.00 C ATOM 1111 C ASP A 72 2.610 23.891 12.687 1.00 0.00 C ATOM 1112 O ASP A 72 2.668 23.621 13.886 1.00 0.00 O ATOM 1113 CB ASP A 72 1.906 21.932 11.298 1.00 0.00 C ATOM 1114 CG ASP A 72 2.215 21.046 10.109 1.00 0.00 C ATOM 1115 OD1 ASP A 72 2.293 21.573 8.980 1.00 0.00 O ATOM 1116 OD2 ASP A 72 2.379 19.823 10.307 1.00 0.00 O ATOM 0 H ASP A 72 4.004 21.169 12.398 1.00 0.00 H new ATOM 0 HA ASP A 72 3.350 23.421 10.736 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.686 21.309 12.165 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.009 22.516 11.089 1.00 0.00 H new ATOM 1121 N ARG A 73 2.163 25.055 12.228 1.00 0.00 N ATOM 1122 CA ARG A 73 1.706 26.106 13.129 1.00 0.00 C ATOM 1123 C ARG A 73 0.481 26.813 12.563 1.00 0.00 C ATOM 1124 O ARG A 73 -0.564 26.886 13.210 1.00 0.00 O ATOM 1125 CB ARG A 73 2.824 27.119 13.377 1.00 0.00 C ATOM 1126 CG ARG A 73 3.831 26.672 14.425 1.00 0.00 C ATOM 1127 CD ARG A 73 5.080 27.540 14.406 1.00 0.00 C ATOM 1128 NE ARG A 73 5.076 28.527 15.486 1.00 0.00 N ATOM 1129 CZ ARG A 73 6.013 28.610 16.430 1.00 0.00 C ATOM 1130 NH1 ARG A 73 7.042 27.771 16.441 1.00 0.00 N ATOM 1131 NH2 ARG A 73 5.919 29.539 17.371 1.00 0.00 N ATOM 0 H ARG A 73 2.108 25.294 11.238 1.00 0.00 H new ATOM 0 HA ARG A 73 1.431 25.642 14.076 1.00 0.00 H new ATOM 0 HB2 ARG A 73 3.347 27.306 12.439 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.382 28.065 13.690 1.00 0.00 H new ATOM 0 HG2 ARG A 73 3.372 26.715 15.413 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.106 25.633 14.246 1.00 0.00 H new ATOM 0 HD2 ARG A 73 5.963 26.907 14.496 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.151 28.052 13.447 1.00 0.00 H new ATOM 0 HE ARG A 73 4.306 29.195 15.519 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.122 27.053 15.721 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.753 27.845 17.169 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.131 30.187 17.371 1.00 0.00 H new ATOM 0 HH22 ARG A 73 6.634 29.606 18.095 1.00 0.00 H new ATOM 1145 N ARG A 74 0.621 27.333 11.353 1.00 0.00 N ATOM 1146 CA ARG A 74 -0.469 28.041 10.688 1.00 0.00 C ATOM 1147 C ARG A 74 -0.969 27.255 9.480 1.00 0.00 C ATOM 1148 O ARG A 74 -2.148 27.317 9.131 1.00 0.00 O ATOM 1149 CB ARG A 74 -0.015 29.436 10.246 1.00 0.00 C ATOM 1150 CG ARG A 74 1.067 30.038 11.128 1.00 0.00 C ATOM 1151 CD ARG A 74 0.844 31.525 11.350 1.00 0.00 C ATOM 1152 NE ARG A 74 1.325 31.962 12.659 1.00 0.00 N ATOM 1153 CZ ARG A 74 2.613 32.111 12.963 1.00 0.00 C ATOM 1154 NH1 ARG A 74 3.550 31.862 12.057 1.00 0.00 N ATOM 1155 NH2 ARG A 74 2.965 32.514 14.177 1.00 0.00 N ATOM 0 H ARG A 74 1.481 27.279 10.808 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.286 28.144 11.402 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.354 29.380 9.222 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.877 30.103 10.238 1.00 0.00 H new ATOM 0 HG2 ARG A 74 1.082 29.524 12.089 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.042 29.880 10.667 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.355 32.089 10.569 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.219 31.749 11.261 1.00 0.00 H new ATOM 0 HE ARG A 74 0.634 32.165 13.382 1.00 0.00 H new ATOM 0 HH11 ARG A 74 3.286 31.554 11.121 1.00 0.00 H new ATOM 0 HH12 ARG A 74 4.535 31.978 12.296 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.249 32.710 14.877 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.951 32.628 14.410 1.00 0.00 H new ATOM 1169 N TRP A 75 -0.063 26.517 8.845 1.00 0.00 N ATOM 1170 CA TRP A 75 -0.411 25.719 7.675 1.00 0.00 C ATOM 1171 C TRP A 75 -0.672 24.266 8.061 1.00 0.00 C ATOM 1172 O TRP A 75 -0.466 23.355 7.258 1.00 0.00 O ATOM 1173 CB TRP A 75 0.708 25.788 6.634 1.00 0.00 C ATOM 1174 CG TRP A 75 2.075 25.583 7.214 1.00 0.00 C ATOM 1175 CD1 TRP A 75 2.411 24.756 8.246 1.00 0.00 C ATOM 1176 CD2 TRP A 75 3.289 26.217 6.796 1.00 0.00 C ATOM 1177 NE1 TRP A 75 3.760 24.836 8.496 1.00 0.00 N ATOM 1178 CE2 TRP A 75 4.320 25.726 7.618 1.00 0.00 C ATOM 1179 CE3 TRP A 75 3.603 27.151 5.804 1.00 0.00 C ATOM 1180 CZ2 TRP A 75 5.643 26.139 7.480 1.00 0.00 C ATOM 1181 CZ3 TRP A 75 4.917 27.560 5.667 1.00 0.00 C ATOM 1182 CH2 TRP A 75 5.923 27.055 6.502 1.00 0.00 C ATOM 0 H TRP A 75 0.917 26.455 9.121 1.00 0.00 H new ATOM 0 HA TRP A 75 -1.325 26.131 7.246 1.00 0.00 H new ATOM 0 HB2 TRP A 75 0.529 25.033 5.869 1.00 0.00 H new ATOM 0 HB3 TRP A 75 0.674 26.758 6.138 1.00 0.00 H new ATOM 0 HD1 TRP A 75 1.718 24.130 8.788 1.00 0.00 H new ATOM 0 HE1 TRP A 75 4.262 24.318 9.217 1.00 0.00 H new ATOM 0 HE3 TRP A 75 2.834 27.546 5.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 6.420 25.751 8.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 5.172 28.280 4.904 1.00 0.00 H new ATOM 0 HH2 TRP A 75 6.940 27.395 6.371 1.00 0.00 H new ATOM 1193 N GLN A 76 -1.125 24.057 9.292 1.00 0.00 N ATOM 1194 CA GLN A 76 -1.415 22.712 9.782 1.00 0.00 C ATOM 1195 C GLN A 76 -2.459 22.027 8.906 1.00 0.00 C ATOM 1196 O GLN A 76 -3.473 22.627 8.547 1.00 0.00 O ATOM 1197 CB GLN A 76 -1.904 22.769 11.230 1.00 0.00 C ATOM 1198 CG GLN A 76 -1.100 23.713 12.110 1.00 0.00 C ATOM 1199 CD GLN A 76 -0.707 23.088 13.434 1.00 0.00 C ATOM 1200 OE1 GLN A 76 0.124 22.182 13.483 1.00 0.00 O ATOM 1201 NE2 GLN A 76 -1.307 23.570 14.517 1.00 0.00 N ATOM 0 H GLN A 76 -1.300 24.800 9.969 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.494 22.130 9.740 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -2.949 23.079 11.239 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.865 21.767 11.657 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.200 24.021 11.577 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.684 24.614 12.298 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.990 24.322 14.429 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -1.084 23.188 15.436 1.00 0.00 H new ATOM 1210 N ARG A 77 -2.205 20.767 8.566 1.00 0.00 N ATOM 1211 CA ARG A 77 -3.124 20.001 7.733 1.00 0.00 C ATOM 1212 C ARG A 77 -3.880 18.968 8.563 1.00 0.00 C ATOM 1213 O ARG A 77 -3.440 18.587 9.648 1.00 0.00 O ATOM 1214 CB ARG A 77 -2.360 19.305 6.604 1.00 0.00 C ATOM 1215 CG ARG A 77 -2.278 20.127 5.329 1.00 0.00 C ATOM 1216 CD ARG A 77 -0.975 19.874 4.586 1.00 0.00 C ATOM 1217 NE ARG A 77 -0.446 21.093 3.979 1.00 0.00 N ATOM 1218 CZ ARG A 77 -0.927 21.633 2.861 1.00 0.00 C ATOM 1219 NH1 ARG A 77 -1.945 21.066 2.226 1.00 0.00 N ATOM 1220 NH2 ARG A 77 -0.388 22.744 2.377 1.00 0.00 N ATOM 0 H ARG A 77 -1.371 20.256 8.855 1.00 0.00 H new ATOM 0 HA ARG A 77 -3.847 20.693 7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -1.350 19.078 6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -2.843 18.353 6.382 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -3.120 19.882 4.682 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.360 21.186 5.572 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -0.238 19.463 5.276 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.139 19.125 3.811 1.00 0.00 H new ATOM 0 HE ARG A 77 0.337 21.557 4.438 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.364 20.212 2.594 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.309 21.485 1.370 1.00 0.00 H new ATOM 0 HH21 ARG A 77 0.394 23.184 2.861 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -0.756 23.158 1.521 1.00 0.00 H new ATOM 1234 N ARG A 78 -5.020 18.520 8.047 1.00 0.00 N ATOM 1235 CA ARG A 78 -5.838 17.534 8.743 1.00 0.00 C ATOM 1236 C ARG A 78 -5.753 16.173 8.058 1.00 0.00 C ATOM 1237 O ARG A 78 -5.710 16.086 6.830 1.00 0.00 O ATOM 1238 CB ARG A 78 -7.294 17.999 8.806 1.00 0.00 C ATOM 1239 CG ARG A 78 -7.904 17.904 10.196 1.00 0.00 C ATOM 1240 CD ARG A 78 -7.739 19.204 10.967 1.00 0.00 C ATOM 1241 NE ARG A 78 -6.692 19.110 11.982 1.00 0.00 N ATOM 1242 CZ ARG A 78 -6.860 18.537 13.171 1.00 0.00 C ATOM 1243 NH1 ARG A 78 -8.029 17.999 13.497 1.00 0.00 N ATOM 1244 NH2 ARG A 78 -5.856 18.500 14.037 1.00 0.00 N ATOM 0 H ARG A 78 -5.398 18.824 7.150 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.454 17.433 9.758 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.352 19.032 8.463 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.888 17.400 8.116 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.963 17.661 10.114 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.432 17.091 10.747 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -7.499 20.009 10.273 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.684 19.465 11.444 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.778 19.507 11.766 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.804 18.024 12.835 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.152 17.561 14.410 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.955 18.911 13.791 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -5.985 18.061 14.949 1.00 0.00 H new ATOM 1258 N TYR A 79 -5.731 15.115 8.860 1.00 0.00 N ATOM 1259 CA TYR A 79 -5.652 13.757 8.334 1.00 0.00 C ATOM 1260 C TYR A 79 -6.934 13.381 7.596 1.00 0.00 C ATOM 1261 O TYR A 79 -6.919 12.542 6.696 1.00 0.00 O ATOM 1262 CB TYR A 79 -5.393 12.763 9.468 1.00 0.00 C ATOM 1263 CG TYR A 79 -6.471 12.759 10.528 1.00 0.00 C ATOM 1264 CD1 TYR A 79 -7.597 11.955 10.399 1.00 0.00 C ATOM 1265 CD2 TYR A 79 -6.363 13.559 11.659 1.00 0.00 C ATOM 1266 CE1 TYR A 79 -8.584 11.948 11.366 1.00 0.00 C ATOM 1267 CE2 TYR A 79 -7.346 13.558 12.630 1.00 0.00 C ATOM 1268 CZ TYR A 79 -8.454 12.752 12.478 1.00 0.00 C ATOM 1269 OH TYR A 79 -9.435 12.749 13.443 1.00 0.00 O ATOM 0 H TYR A 79 -5.767 15.171 9.878 1.00 0.00 H new ATOM 0 HA TYR A 79 -4.823 13.717 7.627 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -5.304 11.761 9.048 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -4.437 12.999 9.935 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.702 11.325 9.528 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -5.496 14.192 11.781 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.452 11.316 11.251 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -7.247 14.185 13.503 1.00 0.00 H new ATOM 0 HH TYR A 79 -9.384 11.917 13.958 1.00 0.00 H new ATOM 1279 N ASP A 80 -8.042 14.007 7.983 1.00 0.00 N ATOM 1280 CA ASP A 80 -9.330 13.734 7.356 1.00 0.00 C ATOM 1281 C ASP A 80 -9.687 14.818 6.344 1.00 0.00 C ATOM 1282 O ASP A 80 -10.861 15.113 6.127 1.00 0.00 O ATOM 1283 CB ASP A 80 -10.426 13.631 8.418 1.00 0.00 C ATOM 1284 CG ASP A 80 -10.406 14.797 9.386 1.00 0.00 C ATOM 1285 OD1 ASP A 80 -10.813 15.907 8.985 1.00 0.00 O ATOM 1286 OD2 ASP A 80 -9.984 14.600 10.545 1.00 0.00 O ATOM 0 H ASP A 80 -8.073 14.705 8.726 1.00 0.00 H new ATOM 0 HA ASP A 80 -9.253 12.783 6.829 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -11.399 13.586 7.929 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.304 12.700 8.972 1.00 0.00 H new ATOM 1291 N ASP A 81 -8.667 15.404 5.726 1.00 0.00 N ATOM 1292 CA ASP A 81 -8.878 16.453 4.735 1.00 0.00 C ATOM 1293 C ASP A 81 -9.164 15.846 3.361 1.00 0.00 C ATOM 1294 O ASP A 81 -8.319 15.154 2.796 1.00 0.00 O ATOM 1295 CB ASP A 81 -7.650 17.362 4.656 1.00 0.00 C ATOM 1296 CG ASP A 81 -7.810 18.622 5.486 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -8.641 18.618 6.418 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -7.104 19.612 5.202 1.00 0.00 O ATOM 0 H ASP A 81 -7.688 15.171 5.893 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.740 17.045 5.042 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.772 16.813 4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.470 17.635 3.616 1.00 0.00 H new ATOM 1303 N PRO A 82 -10.362 16.095 2.800 1.00 0.00 N ATOM 1304 CA PRO A 82 -10.740 15.561 1.486 1.00 0.00 C ATOM 1305 C PRO A 82 -9.823 16.055 0.370 1.00 0.00 C ATOM 1306 O PRO A 82 -9.733 15.435 -0.689 1.00 0.00 O ATOM 1307 CB PRO A 82 -12.168 16.078 1.274 1.00 0.00 C ATOM 1308 CG PRO A 82 -12.307 17.230 2.211 1.00 0.00 C ATOM 1309 CD PRO A 82 -11.438 16.909 3.391 1.00 0.00 C ATOM 0 HA PRO A 82 -10.663 14.474 1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.326 16.389 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -12.904 15.303 1.490 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.993 18.159 1.736 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.345 17.363 2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.049 17.811 3.862 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.985 16.360 4.157 1.00 0.00 H new ATOM 1317 N GLU A 83 -9.144 17.172 0.613 1.00 0.00 N ATOM 1318 CA GLU A 83 -8.236 17.741 -0.376 1.00 0.00 C ATOM 1319 C GLU A 83 -7.009 16.855 -0.564 1.00 0.00 C ATOM 1320 O GLU A 83 -6.580 16.604 -1.689 1.00 0.00 O ATOM 1321 CB GLU A 83 -7.808 19.151 0.039 1.00 0.00 C ATOM 1322 CG GLU A 83 -7.182 19.218 1.422 1.00 0.00 C ATOM 1323 CD GLU A 83 -6.667 20.603 1.762 1.00 0.00 C ATOM 1324 OE1 GLU A 83 -7.463 21.426 2.260 1.00 0.00 O ATOM 1325 OE2 GLU A 83 -5.468 20.865 1.529 1.00 0.00 O ATOM 0 H GLU A 83 -9.205 17.700 1.484 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.767 17.799 -1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.096 19.534 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.677 19.808 0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.919 18.916 2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -6.360 18.504 1.480 1.00 0.00 H new ATOM 1332 N MET A 84 -6.450 16.380 0.545 1.00 0.00 N ATOM 1333 CA MET A 84 -5.276 15.518 0.495 1.00 0.00 C ATOM 1334 C MET A 84 -5.688 14.061 0.309 1.00 0.00 C ATOM 1335 O MET A 84 -4.958 13.268 -0.285 1.00 0.00 O ATOM 1336 CB MET A 84 -4.447 15.670 1.771 1.00 0.00 C ATOM 1337 CG MET A 84 -5.263 15.543 3.046 1.00 0.00 C ATOM 1338 SD MET A 84 -4.326 14.813 4.401 1.00 0.00 S ATOM 1339 CE MET A 84 -5.039 13.171 4.452 1.00 0.00 C ATOM 0 H MET A 84 -6.790 16.577 1.486 1.00 0.00 H new ATOM 0 HA MET A 84 -4.667 15.820 -0.357 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.661 14.915 1.776 1.00 0.00 H new ATOM 0 HB3 MET A 84 -3.954 16.642 1.760 1.00 0.00 H new ATOM 0 HG2 MET A 84 -5.618 16.529 3.345 1.00 0.00 H new ATOM 0 HG3 MET A 84 -6.145 14.933 2.849 1.00 0.00 H new ATOM 0 HE1 MET A 84 -4.601 12.610 5.277 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.117 13.247 4.597 1.00 0.00 H new ATOM 0 HE3 MET A 84 -4.834 12.656 3.513 1.00 0.00 H new ATOM 1349 N ILE A 85 -6.868 13.718 0.818 1.00 0.00 N ATOM 1350 CA ILE A 85 -7.386 12.361 0.705 1.00 0.00 C ATOM 1351 C ILE A 85 -7.566 11.970 -0.760 1.00 0.00 C ATOM 1352 O ILE A 85 -7.337 10.822 -1.139 1.00 0.00 O ATOM 1353 CB ILE A 85 -8.731 12.217 1.454 1.00 0.00 C ATOM 1354 CG1 ILE A 85 -8.504 12.293 2.964 1.00 0.00 C ATOM 1355 CG2 ILE A 85 -9.429 10.911 1.089 1.00 0.00 C ATOM 1356 CD1 ILE A 85 -9.751 12.647 3.745 1.00 0.00 C ATOM 0 H ILE A 85 -7.483 14.363 1.313 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.658 11.691 1.163 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.378 13.040 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.125 11.333 3.315 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.733 13.035 3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.372 10.838 1.631 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.625 10.890 0.017 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.790 10.070 1.358 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.516 12.683 4.809 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.119 13.621 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.517 11.892 3.568 1.00 0.00 H new ATOM 1368 N ASP A 86 -7.976 12.934 -1.580 1.00 0.00 N ATOM 1369 CA ASP A 86 -8.183 12.687 -3.003 1.00 0.00 C ATOM 1370 C ASP A 86 -6.901 12.185 -3.660 1.00 0.00 C ATOM 1371 O ASP A 86 -6.880 11.112 -4.263 1.00 0.00 O ATOM 1372 CB ASP A 86 -8.664 13.963 -3.698 1.00 0.00 C ATOM 1373 CG ASP A 86 -9.856 13.713 -4.602 1.00 0.00 C ATOM 1374 OD1 ASP A 86 -9.841 12.705 -5.340 1.00 0.00 O ATOM 1375 OD2 ASP A 86 -10.805 14.525 -4.573 1.00 0.00 O ATOM 0 H ASP A 86 -8.171 13.891 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.947 11.916 -3.107 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.931 14.705 -2.946 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.848 14.384 -4.285 1.00 0.00 H new ATOM 1380 N GLU A 87 -5.832 12.965 -3.534 1.00 0.00 N ATOM 1381 CA GLU A 87 -4.547 12.594 -4.114 1.00 0.00 C ATOM 1382 C GLU A 87 -3.991 11.346 -3.440 1.00 0.00 C ATOM 1383 O GLU A 87 -3.465 10.455 -4.105 1.00 0.00 O ATOM 1384 CB GLU A 87 -3.549 13.747 -3.986 1.00 0.00 C ATOM 1385 CG GLU A 87 -3.309 14.186 -2.551 1.00 0.00 C ATOM 1386 CD GLU A 87 -2.437 15.423 -2.458 1.00 0.00 C ATOM 1387 OE1 GLU A 87 -1.198 15.283 -2.545 1.00 0.00 O ATOM 1388 OE2 GLU A 87 -2.991 16.531 -2.299 1.00 0.00 O ATOM 0 H GLU A 87 -5.830 13.856 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.702 12.378 -5.171 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.600 13.446 -4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.914 14.598 -4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.267 14.384 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -2.838 13.372 -2.000 1.00 0.00 H new ATOM 1395 N ARG A 88 -4.119 11.280 -2.118 1.00 0.00 N ATOM 1396 CA ARG A 88 -3.635 10.128 -1.364 1.00 0.00 C ATOM 1397 C ARG A 88 -4.212 8.835 -1.938 1.00 0.00 C ATOM 1398 O ARG A 88 -3.622 7.764 -1.799 1.00 0.00 O ATOM 1399 CB ARG A 88 -4.007 10.262 0.115 1.00 0.00 C ATOM 1400 CG ARG A 88 -2.807 10.448 1.028 1.00 0.00 C ATOM 1401 CD ARG A 88 -2.495 11.920 1.247 1.00 0.00 C ATOM 1402 NE ARG A 88 -1.936 12.169 2.573 1.00 0.00 N ATOM 1403 CZ ARG A 88 -1.260 13.268 2.900 1.00 0.00 C ATOM 1404 NH1 ARG A 88 -1.057 14.223 2.001 1.00 0.00 N ATOM 1405 NH2 ARG A 88 -0.786 13.414 4.129 1.00 0.00 N ATOM 0 H ARG A 88 -4.552 12.007 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.549 10.093 -1.448 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.681 11.110 0.236 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.555 9.373 0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.002 9.970 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.939 9.952 0.595 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.791 12.258 0.487 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.405 12.506 1.121 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.072 11.458 3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.420 14.117 1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.538 15.063 2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -0.939 12.684 4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -0.268 14.256 4.379 1.00 0.00 H new ATOM 1419 N ARG A 89 -5.366 8.951 -2.589 1.00 0.00 N ATOM 1420 CA ARG A 89 -6.025 7.801 -3.195 1.00 0.00 C ATOM 1421 C ARG A 89 -5.112 7.127 -4.213 1.00 0.00 C ATOM 1422 O ARG A 89 -4.835 5.931 -4.117 1.00 0.00 O ATOM 1423 CB ARG A 89 -7.325 8.235 -3.873 1.00 0.00 C ATOM 1424 CG ARG A 89 -8.347 7.119 -4.007 1.00 0.00 C ATOM 1425 CD ARG A 89 -9.757 7.671 -4.146 1.00 0.00 C ATOM 1426 NE ARG A 89 -10.176 8.406 -2.955 1.00 0.00 N ATOM 1427 CZ ARG A 89 -11.189 9.270 -2.935 1.00 0.00 C ATOM 1428 NH1 ARG A 89 -11.886 9.511 -4.038 1.00 0.00 N ATOM 1429 NH2 ARG A 89 -11.504 9.896 -1.809 1.00 0.00 N ATOM 0 H ARG A 89 -5.864 9.833 -2.710 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.253 7.085 -2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.766 9.053 -3.303 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.095 8.625 -4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.107 6.507 -4.876 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.294 6.468 -3.134 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.805 8.329 -5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -10.451 6.851 -4.329 1.00 0.00 H new ATOM 0 HE ARG A 89 -9.662 8.248 -2.088 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.647 9.033 -4.907 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.661 10.174 -4.017 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.970 9.716 -0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.280 10.558 -1.793 1.00 0.00 H new ATOM 1443 N ILE A 90 -4.643 7.902 -5.187 1.00 0.00 N ATOM 1444 CA ILE A 90 -3.756 7.372 -6.217 1.00 0.00 C ATOM 1445 C ILE A 90 -2.340 7.199 -5.684 1.00 0.00 C ATOM 1446 O ILE A 90 -2.025 7.636 -4.577 1.00 0.00 O ATOM 1447 CB ILE A 90 -3.718 8.268 -7.474 1.00 0.00 C ATOM 1448 CG1 ILE A 90 -3.543 9.743 -7.098 1.00 0.00 C ATOM 1449 CG2 ILE A 90 -4.981 8.073 -8.298 1.00 0.00 C ATOM 1450 CD1 ILE A 90 -2.172 10.070 -6.546 1.00 0.00 C ATOM 0 H ILE A 90 -4.861 8.894 -5.284 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.162 6.401 -6.500 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.858 7.973 -8.075 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.727 10.358 -7.979 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.297 10.012 -6.358 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.941 8.711 -9.181 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -5.057 7.030 -8.606 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.851 8.338 -7.698 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.122 11.131 -6.302 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.992 9.482 -5.646 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.413 9.833 -7.292 1.00 0.00 H new ATOM 1462 N GLY A 91 -1.490 6.554 -6.476 1.00 0.00 N ATOM 1463 CA GLY A 91 -0.118 6.331 -6.063 1.00 0.00 C ATOM 1464 C GLY A 91 0.044 5.059 -5.253 1.00 0.00 C ATOM 1465 O GLY A 91 0.900 4.229 -5.555 1.00 0.00 O ATOM 0 H GLY A 91 -1.727 6.182 -7.396 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.520 6.280 -6.945 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.223 7.181 -5.472 1.00 0.00 H new ATOM 1469 N LEU A 92 -0.785 4.904 -4.224 1.00 0.00 N ATOM 1470 CA LEU A 92 -0.731 3.723 -3.370 1.00 0.00 C ATOM 1471 C LEU A 92 -0.918 2.451 -4.190 1.00 0.00 C ATOM 1472 O LEU A 92 -0.129 1.512 -4.086 1.00 0.00 O ATOM 1473 CB LEU A 92 -1.805 3.805 -2.282 1.00 0.00 C ATOM 1474 CG LEU A 92 -1.626 4.946 -1.279 1.00 0.00 C ATOM 1475 CD1 LEU A 92 -2.847 5.061 -0.380 1.00 0.00 C ATOM 1476 CD2 LEU A 92 -0.367 4.735 -0.450 1.00 0.00 C ATOM 0 H LEU A 92 -1.501 5.581 -3.962 1.00 0.00 H new ATOM 0 HA LEU A 92 0.252 3.690 -2.899 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.778 3.912 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.821 2.861 -1.737 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.519 5.879 -1.833 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.702 5.878 0.327 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.729 5.260 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -2.986 4.128 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.256 5.556 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.444 3.794 0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.501 4.703 -1.108 1.00 0.00 H new ATOM 1488 N GLU A 93 -1.966 2.428 -5.009 1.00 0.00 N ATOM 1489 CA GLU A 93 -2.253 1.271 -5.850 1.00 0.00 C ATOM 1490 C GLU A 93 -1.069 0.953 -6.758 1.00 0.00 C ATOM 1491 O GLU A 93 -0.842 -0.202 -7.119 1.00 0.00 O ATOM 1492 CB GLU A 93 -3.505 1.522 -6.693 1.00 0.00 C ATOM 1493 CG GLU A 93 -3.434 2.791 -7.526 1.00 0.00 C ATOM 1494 CD GLU A 93 -4.797 3.412 -7.759 1.00 0.00 C ATOM 1495 OE1 GLU A 93 -5.577 2.848 -8.556 1.00 0.00 O ATOM 1496 OE2 GLU A 93 -5.085 4.462 -7.146 1.00 0.00 O ATOM 0 H GLU A 93 -2.629 3.196 -5.108 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.430 0.415 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.663 0.671 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.371 1.578 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.790 3.514 -7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.973 2.565 -8.487 1.00 0.00 H new ATOM 1503 N ARG A 94 -0.314 1.985 -7.118 1.00 0.00 N ATOM 1504 CA ARG A 94 0.851 1.818 -7.979 1.00 0.00 C ATOM 1505 C ARG A 94 1.996 1.165 -7.209 1.00 0.00 C ATOM 1506 O ARG A 94 2.813 0.446 -7.785 1.00 0.00 O ATOM 1507 CB ARG A 94 1.303 3.169 -8.539 1.00 0.00 C ATOM 1508 CG ARG A 94 0.157 4.068 -8.978 1.00 0.00 C ATOM 1509 CD ARG A 94 -0.722 3.389 -10.016 1.00 0.00 C ATOM 1510 NE ARG A 94 -0.426 3.852 -11.371 1.00 0.00 N ATOM 1511 CZ ARG A 94 -0.866 5.003 -11.872 1.00 0.00 C ATOM 1512 NH1 ARG A 94 -1.619 5.812 -11.137 1.00 0.00 N ATOM 1513 NH2 ARG A 94 -0.550 5.349 -13.114 1.00 0.00 N ATOM 0 H ARG A 94 -0.488 2.947 -6.827 1.00 0.00 H new ATOM 0 HA ARG A 94 0.570 1.170 -8.809 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.889 3.688 -7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 94 1.963 2.997 -9.389 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.446 4.339 -8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.558 4.994 -9.390 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.579 2.310 -9.962 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.770 3.584 -9.787 1.00 0.00 H new ATOM 0 HE ARG A 94 0.151 3.258 -11.966 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -1.864 5.553 -10.181 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -1.953 6.693 -11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.030 4.732 -13.683 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -0.887 6.231 -13.499 1.00 0.00 H new ATOM 1527 N PHE A 95 2.045 1.420 -5.906 1.00 0.00 N ATOM 1528 CA PHE A 95 3.086 0.859 -5.053 1.00 0.00 C ATOM 1529 C PHE A 95 3.011 -0.665 -5.034 1.00 0.00 C ATOM 1530 O PHE A 95 4.026 -1.347 -5.170 1.00 0.00 O ATOM 1531 CB PHE A 95 2.954 1.406 -3.630 1.00 0.00 C ATOM 1532 CG PHE A 95 4.014 0.906 -2.691 1.00 0.00 C ATOM 1533 CD1 PHE A 95 3.944 -0.372 -2.161 1.00 0.00 C ATOM 1534 CD2 PHE A 95 5.080 1.717 -2.333 1.00 0.00 C ATOM 1535 CE1 PHE A 95 4.917 -0.834 -1.296 1.00 0.00 C ATOM 1536 CE2 PHE A 95 6.056 1.261 -1.467 1.00 0.00 C ATOM 1537 CZ PHE A 95 5.974 -0.016 -0.948 1.00 0.00 C ATOM 0 H PHE A 95 1.374 2.013 -5.417 1.00 0.00 H new ATOM 0 HA PHE A 95 4.054 1.151 -5.460 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.995 2.495 -3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.975 1.136 -3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.118 -1.015 -2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.149 2.717 -2.736 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.851 -1.834 -0.892 1.00 0.00 H new ATOM 0 HE2 PHE A 95 6.882 1.903 -1.197 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.735 -0.375 -0.271 1.00 0.00 H new ATOM 1547 N LEU A 96 1.803 -1.192 -4.866 1.00 0.00 N ATOM 1548 CA LEU A 96 1.597 -2.636 -4.831 1.00 0.00 C ATOM 1549 C LEU A 96 1.667 -3.229 -6.234 1.00 0.00 C ATOM 1550 O LEU A 96 2.135 -4.352 -6.421 1.00 0.00 O ATOM 1551 CB LEU A 96 0.244 -2.964 -4.197 1.00 0.00 C ATOM 1552 CG LEU A 96 -0.091 -2.170 -2.934 1.00 0.00 C ATOM 1553 CD1 LEU A 96 -1.501 -2.490 -2.461 1.00 0.00 C ATOM 1554 CD2 LEU A 96 0.920 -2.464 -1.837 1.00 0.00 C ATOM 0 H LEU A 96 0.952 -0.642 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 96 2.391 -3.076 -4.228 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.538 -2.788 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.222 -4.027 -3.956 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.042 -1.107 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.722 -1.916 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.215 -2.229 -3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.578 -3.555 -2.240 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.666 -1.891 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.902 -3.528 -1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.917 -2.184 -2.177 1.00 0.00 H new ATOM 1566 N ASN A 97 1.196 -2.469 -7.218 1.00 0.00 N ATOM 1567 CA ASN A 97 1.199 -2.920 -8.606 1.00 0.00 C ATOM 1568 C ASN A 97 2.571 -3.448 -9.018 1.00 0.00 C ATOM 1569 O ASN A 97 2.711 -4.611 -9.392 1.00 0.00 O ATOM 1570 CB ASN A 97 0.779 -1.777 -9.533 1.00 0.00 C ATOM 1571 CG ASN A 97 -0.625 -1.959 -10.075 1.00 0.00 C ATOM 1572 OD1 ASN A 97 -0.814 -2.250 -11.257 1.00 0.00 O ATOM 1573 ND2 ASN A 97 -1.619 -1.788 -9.213 1.00 0.00 N ATOM 0 H ASN A 97 0.807 -1.536 -7.080 1.00 0.00 H new ATOM 0 HA ASN A 97 0.483 -3.737 -8.693 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.837 -0.833 -8.991 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.481 -1.710 -10.364 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.585 -1.897 -9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.417 -1.547 -8.243 1.00 0.00 H new ATOM 1580 N GLU A 98 3.580 -2.586 -8.950 1.00 0.00 N ATOM 1581 CA GLU A 98 4.939 -2.968 -9.320 1.00 0.00 C ATOM 1582 C GLU A 98 5.552 -3.920 -8.292 1.00 0.00 C ATOM 1583 O GLU A 98 6.546 -4.589 -8.573 1.00 0.00 O ATOM 1584 CB GLU A 98 5.813 -1.720 -9.472 1.00 0.00 C ATOM 1585 CG GLU A 98 7.280 -2.024 -9.738 1.00 0.00 C ATOM 1586 CD GLU A 98 7.507 -2.673 -11.089 1.00 0.00 C ATOM 1587 OE1 GLU A 98 6.814 -3.667 -11.395 1.00 0.00 O ATOM 1588 OE2 GLU A 98 8.378 -2.188 -11.843 1.00 0.00 O ATOM 0 H GLU A 98 3.483 -1.618 -8.642 1.00 0.00 H new ATOM 0 HA GLU A 98 4.892 -3.493 -10.274 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.424 -1.113 -10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.735 -1.121 -8.565 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.854 -1.099 -9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.658 -2.682 -8.955 1.00 0.00 H new ATOM 1595 N LEU A 99 4.960 -3.975 -7.102 1.00 0.00 N ATOM 1596 CA LEU A 99 5.462 -4.846 -6.042 1.00 0.00 C ATOM 1597 C LEU A 99 5.000 -6.287 -6.241 1.00 0.00 C ATOM 1598 O LEU A 99 5.817 -7.197 -6.380 1.00 0.00 O ATOM 1599 CB LEU A 99 5.003 -4.342 -4.676 1.00 0.00 C ATOM 1600 CG LEU A 99 5.820 -4.871 -3.498 1.00 0.00 C ATOM 1601 CD1 LEU A 99 6.069 -3.769 -2.481 1.00 0.00 C ATOM 1602 CD2 LEU A 99 5.120 -6.055 -2.850 1.00 0.00 C ATOM 0 H LEU A 99 4.136 -3.430 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 99 6.551 -4.826 -6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.046 -3.253 -4.672 1.00 0.00 H new ATOM 0 HB3 LEU A 99 3.959 -4.621 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 99 6.785 -5.210 -3.874 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.652 -4.166 -1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.618 -2.955 -2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.115 -3.395 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.717 -6.417 -2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.140 -5.745 -2.488 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.001 -6.853 -3.583 1.00 0.00 H new ATOM 1614 N TYR A 100 3.687 -6.488 -6.242 1.00 0.00 N ATOM 1615 CA TYR A 100 3.117 -7.820 -6.411 1.00 0.00 C ATOM 1616 C TYR A 100 3.287 -8.323 -7.843 1.00 0.00 C ATOM 1617 O TYR A 100 3.336 -9.530 -8.082 1.00 0.00 O ATOM 1618 CB TYR A 100 1.637 -7.812 -6.026 1.00 0.00 C ATOM 1619 CG TYR A 100 1.404 -7.626 -4.545 1.00 0.00 C ATOM 1620 CD1 TYR A 100 1.378 -6.356 -3.980 1.00 0.00 C ATOM 1621 CD2 TYR A 100 1.214 -8.718 -3.708 1.00 0.00 C ATOM 1622 CE1 TYR A 100 1.169 -6.181 -2.626 1.00 0.00 C ATOM 1623 CE2 TYR A 100 1.004 -8.551 -2.353 1.00 0.00 C ATOM 1624 CZ TYR A 100 0.982 -7.281 -1.816 1.00 0.00 C ATOM 1625 OH TYR A 100 0.775 -7.110 -0.467 1.00 0.00 O ATOM 0 H TYR A 100 2.997 -5.746 -6.128 1.00 0.00 H new ATOM 0 HA TYR A 100 3.655 -8.501 -5.752 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.132 -7.013 -6.569 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.182 -8.750 -6.343 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.524 -5.491 -4.611 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.231 -9.715 -4.124 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.152 -5.187 -2.204 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.858 -9.411 -1.717 1.00 0.00 H new ATOM 0 HH TYR A 100 0.327 -6.252 -0.311 1.00 0.00 H new ATOM 1635 N ASN A 101 3.379 -7.397 -8.792 1.00 0.00 N ATOM 1636 CA ASN A 101 3.545 -7.761 -10.195 1.00 0.00 C ATOM 1637 C ASN A 101 5.022 -7.912 -10.546 1.00 0.00 C ATOM 1638 O ASN A 101 5.532 -7.236 -11.441 1.00 0.00 O ATOM 1639 CB ASN A 101 2.895 -6.711 -11.099 1.00 0.00 C ATOM 1640 CG ASN A 101 2.515 -7.271 -12.456 1.00 0.00 C ATOM 1641 OD1 ASN A 101 2.004 -8.387 -12.559 1.00 0.00 O ATOM 1642 ND2 ASN A 101 2.764 -6.497 -13.506 1.00 0.00 N ATOM 0 H ASN A 101 3.342 -6.393 -8.616 1.00 0.00 H new ATOM 0 HA ASN A 101 3.053 -8.720 -10.357 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.005 -6.316 -10.610 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.582 -5.876 -11.233 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.530 -6.820 -14.445 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.189 -5.579 -13.374 1.00 0.00 H new ATOM 1649 N ASP A 102 5.705 -8.803 -9.835 1.00 0.00 N ATOM 1650 CA ASP A 102 7.124 -9.044 -10.070 1.00 0.00 C ATOM 1651 C ASP A 102 7.408 -10.538 -10.199 1.00 0.00 C ATOM 1652 O ASP A 102 7.084 -11.320 -9.306 1.00 0.00 O ATOM 1653 CB ASP A 102 7.960 -8.447 -8.936 1.00 0.00 C ATOM 1654 CG ASP A 102 8.654 -7.162 -9.345 1.00 0.00 C ATOM 1655 OD1 ASP A 102 9.364 -7.173 -10.372 1.00 0.00 O ATOM 1656 OD2 ASP A 102 8.486 -6.147 -8.638 1.00 0.00 O ATOM 0 H ASP A 102 5.299 -9.370 -9.091 1.00 0.00 H new ATOM 0 HA ASP A 102 7.399 -8.559 -11.006 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.317 -8.252 -8.078 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.706 -9.174 -8.617 1.00 0.00 H new ATOM 1661 N ARG A 103 8.015 -10.926 -11.315 1.00 0.00 N ATOM 1662 CA ARG A 103 8.344 -12.325 -11.561 1.00 0.00 C ATOM 1663 C ARG A 103 9.835 -12.577 -11.366 1.00 0.00 C ATOM 1664 O ARG A 103 10.247 -13.676 -10.996 1.00 0.00 O ATOM 1665 CB ARG A 103 7.932 -12.730 -12.980 1.00 0.00 C ATOM 1666 CG ARG A 103 6.567 -12.207 -13.400 1.00 0.00 C ATOM 1667 CD ARG A 103 6.498 -11.974 -14.902 1.00 0.00 C ATOM 1668 NE ARG A 103 6.270 -10.569 -15.230 1.00 0.00 N ATOM 1669 CZ ARG A 103 5.064 -10.013 -15.334 1.00 0.00 C ATOM 1670 NH1 ARG A 103 3.969 -10.735 -15.121 1.00 0.00 N ATOM 1671 NH2 ARG A 103 4.951 -8.729 -15.647 1.00 0.00 N ATOM 0 H ARG A 103 8.289 -10.291 -12.064 1.00 0.00 H new ATOM 0 HA ARG A 103 7.792 -12.930 -10.842 1.00 0.00 H new ATOM 0 HB2 ARG A 103 8.681 -12.366 -13.683 1.00 0.00 H new ATOM 0 HB3 ARG A 103 7.931 -13.818 -13.051 1.00 0.00 H new ATOM 0 HG2 ARG A 103 5.797 -12.920 -13.105 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.356 -11.275 -12.876 1.00 0.00 H new ATOM 0 HD2 ARG A 103 7.428 -12.307 -15.363 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.697 -12.579 -15.326 1.00 0.00 H new ATOM 0 HE ARG A 103 7.085 -9.977 -15.389 1.00 0.00 H new ATOM 0 HH11 ARG A 103 4.049 -11.722 -14.876 1.00 0.00 H new ATOM 0 HH12 ARG A 103 3.049 -10.302 -15.202 1.00 0.00 H new ATOM 0 HH21 ARG A 103 5.787 -8.168 -15.808 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.028 -8.303 -15.727 1.00 0.00 H new ATOM 1685 N PHE A 104 10.642 -11.551 -11.622 1.00 0.00 N ATOM 1686 CA PHE A 104 12.088 -11.661 -11.480 1.00 0.00 C ATOM 1687 C PHE A 104 12.500 -11.642 -10.012 1.00 0.00 C ATOM 1688 O PHE A 104 13.385 -12.389 -9.596 1.00 0.00 O ATOM 1689 CB PHE A 104 12.783 -10.522 -12.229 1.00 0.00 C ATOM 1690 CG PHE A 104 12.769 -10.686 -13.723 1.00 0.00 C ATOM 1691 CD1 PHE A 104 11.571 -10.807 -14.409 1.00 0.00 C ATOM 1692 CD2 PHE A 104 13.954 -10.719 -14.440 1.00 0.00 C ATOM 1693 CE1 PHE A 104 11.556 -10.958 -15.782 1.00 0.00 C ATOM 1694 CE2 PHE A 104 13.945 -10.870 -15.813 1.00 0.00 C ATOM 1695 CZ PHE A 104 12.745 -10.989 -16.485 1.00 0.00 C ATOM 0 H PHE A 104 10.317 -10.634 -11.929 1.00 0.00 H new ATOM 0 HA PHE A 104 12.395 -12.614 -11.910 1.00 0.00 H new ATOM 0 HB2 PHE A 104 12.299 -9.580 -11.971 1.00 0.00 H new ATOM 0 HB3 PHE A 104 13.816 -10.453 -11.889 1.00 0.00 H new ATOM 0 HD1 PHE A 104 10.639 -10.783 -13.864 1.00 0.00 H new ATOM 0 HD2 PHE A 104 14.896 -10.626 -13.919 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.616 -11.052 -16.305 1.00 0.00 H new ATOM 0 HE2 PHE A 104 14.876 -10.895 -16.360 1.00 0.00 H new ATOM 0 HZ PHE A 104 12.736 -11.106 -17.559 1.00 0.00 H new ATOM 1705 N ASP A 105 11.857 -10.780 -9.231 1.00 0.00 N ATOM 1706 CA ASP A 105 12.162 -10.663 -7.810 1.00 0.00 C ATOM 1707 C ASP A 105 10.918 -10.297 -7.009 1.00 0.00 C ATOM 1708 O ASP A 105 10.387 -9.193 -7.136 1.00 0.00 O ATOM 1709 CB ASP A 105 13.253 -9.613 -7.588 1.00 0.00 C ATOM 1710 CG ASP A 105 14.635 -10.228 -7.487 1.00 0.00 C ATOM 1711 OD1 ASP A 105 14.801 -11.191 -6.708 1.00 0.00 O ATOM 1712 OD2 ASP A 105 15.551 -9.747 -8.186 1.00 0.00 O ATOM 0 H ASP A 105 11.122 -10.153 -9.558 1.00 0.00 H new ATOM 0 HA ASP A 105 12.520 -11.632 -7.462 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.236 -8.896 -8.409 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.038 -9.057 -6.675 1.00 0.00 H new ATOM 1717 N SER A 106 10.460 -11.229 -6.181 1.00 0.00 N ATOM 1718 CA SER A 106 9.283 -11.004 -5.352 1.00 0.00 C ATOM 1719 C SER A 106 9.670 -10.861 -3.885 1.00 0.00 C ATOM 1720 O SER A 106 8.866 -11.125 -2.992 1.00 0.00 O ATOM 1721 CB SER A 106 8.288 -12.152 -5.517 1.00 0.00 C ATOM 1722 OG SER A 106 8.953 -13.402 -5.565 1.00 0.00 O ATOM 0 H SER A 106 10.887 -12.148 -6.066 1.00 0.00 H new ATOM 0 HA SER A 106 8.814 -10.076 -5.679 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.580 -12.145 -4.688 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.711 -12.008 -6.431 1.00 0.00 H new ATOM 0 HG SER A 106 9.124 -13.717 -4.653 1.00 0.00 H new ATOM 1728 N ARG A 107 10.907 -10.439 -3.642 1.00 0.00 N ATOM 1729 CA ARG A 107 11.397 -10.258 -2.280 1.00 0.00 C ATOM 1730 C ARG A 107 10.547 -9.238 -1.533 1.00 0.00 C ATOM 1731 O ARG A 107 10.420 -9.293 -0.310 1.00 0.00 O ATOM 1732 CB ARG A 107 12.859 -9.805 -2.297 1.00 0.00 C ATOM 1733 CG ARG A 107 13.727 -10.589 -3.266 1.00 0.00 C ATOM 1734 CD ARG A 107 14.537 -9.669 -4.169 1.00 0.00 C ATOM 1735 NE ARG A 107 15.248 -8.641 -3.412 1.00 0.00 N ATOM 1736 CZ ARG A 107 16.327 -8.003 -3.858 1.00 0.00 C ATOM 1737 NH1 ARG A 107 16.820 -8.275 -5.060 1.00 0.00 N ATOM 1738 NH2 ARG A 107 16.915 -7.086 -3.101 1.00 0.00 N ATOM 0 H ARG A 107 11.587 -10.216 -4.369 1.00 0.00 H new ATOM 0 HA ARG A 107 11.327 -11.215 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 107 12.900 -8.748 -2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 107 13.272 -9.901 -1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 107 14.402 -11.237 -2.707 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.097 -11.236 -3.877 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.254 -10.260 -4.738 1.00 0.00 H new ATOM 0 HD3 ARG A 107 13.873 -9.193 -4.890 1.00 0.00 H new ATOM 0 HE ARG A 107 14.896 -8.398 -2.486 1.00 0.00 H new ATOM 0 HH11 ARG A 107 16.371 -8.977 -5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 107 17.648 -7.782 -5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 107 16.540 -6.870 -2.177 1.00 0.00 H new ATOM 0 HH22 ARG A 107 17.742 -6.597 -3.443 1.00 0.00 H new ATOM 1752 N TRP A 108 9.966 -8.306 -2.282 1.00 0.00 N ATOM 1753 CA TRP A 108 9.125 -7.268 -1.699 1.00 0.00 C ATOM 1754 C TRP A 108 7.796 -7.841 -1.216 1.00 0.00 C ATOM 1755 O TRP A 108 7.342 -7.533 -0.115 1.00 0.00 O ATOM 1756 CB TRP A 108 8.879 -6.154 -2.717 1.00 0.00 C ATOM 1757 CG TRP A 108 10.143 -5.583 -3.282 1.00 0.00 C ATOM 1758 CD1 TRP A 108 10.701 -5.866 -4.496 1.00 0.00 C ATOM 1759 CD2 TRP A 108 11.010 -4.631 -2.653 1.00 0.00 C ATOM 1760 NE1 TRP A 108 11.862 -5.150 -4.660 1.00 0.00 N ATOM 1761 CE2 TRP A 108 12.073 -4.384 -3.543 1.00 0.00 C ATOM 1762 CE3 TRP A 108 10.990 -3.964 -1.426 1.00 0.00 C ATOM 1763 CZ2 TRP A 108 13.105 -3.497 -3.243 1.00 0.00 C ATOM 1764 CZ3 TRP A 108 12.015 -3.085 -1.129 1.00 0.00 C ATOM 1765 CH2 TRP A 108 13.059 -2.859 -2.034 1.00 0.00 C ATOM 0 H TRP A 108 10.063 -8.249 -3.296 1.00 0.00 H new ATOM 0 HA TRP A 108 9.649 -6.855 -0.837 1.00 0.00 H new ATOM 0 HB2 TRP A 108 8.268 -6.543 -3.531 1.00 0.00 H new ATOM 0 HB3 TRP A 108 8.308 -5.356 -2.242 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.290 -6.552 -5.221 1.00 0.00 H new ATOM 0 HE1 TRP A 108 12.468 -5.183 -5.480 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.188 -4.132 -0.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 13.911 -3.320 -3.939 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.010 -2.564 -0.183 1.00 0.00 H new ATOM 0 HH2 TRP A 108 13.845 -2.166 -1.772 1.00 0.00 H new ATOM 1776 N ARG A 109 7.176 -8.678 -2.043 1.00 0.00 N ATOM 1777 CA ARG A 109 5.899 -9.290 -1.686 1.00 0.00 C ATOM 1778 C ARG A 109 6.113 -10.530 -0.822 1.00 0.00 C ATOM 1779 O ARG A 109 5.227 -10.932 -0.068 1.00 0.00 O ATOM 1780 CB ARG A 109 5.108 -9.658 -2.944 1.00 0.00 C ATOM 1781 CG ARG A 109 5.803 -10.676 -3.832 1.00 0.00 C ATOM 1782 CD ARG A 109 5.370 -10.536 -5.282 1.00 0.00 C ATOM 1783 NE ARG A 109 4.038 -11.091 -5.512 1.00 0.00 N ATOM 1784 CZ ARG A 109 3.792 -12.390 -5.662 1.00 0.00 C ATOM 1785 NH1 ARG A 109 4.784 -13.272 -5.610 1.00 0.00 N ATOM 1786 NH2 ARG A 109 2.551 -12.811 -5.866 1.00 0.00 N ATOM 0 H ARG A 109 7.534 -8.947 -2.959 1.00 0.00 H new ATOM 0 HA ARG A 109 5.327 -8.562 -1.111 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.136 -10.052 -2.648 1.00 0.00 H new ATOM 0 HB3 ARG A 109 4.922 -8.753 -3.522 1.00 0.00 H new ATOM 0 HG2 ARG A 109 6.883 -10.547 -3.759 1.00 0.00 H new ATOM 0 HG3 ARG A 109 5.578 -11.682 -3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 109 5.377 -9.483 -5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 109 6.090 -11.042 -5.926 1.00 0.00 H new ATOM 0 HE ARG A 109 3.250 -10.445 -5.560 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.741 -12.955 -5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.589 -14.266 -5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.785 -12.139 -5.908 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.363 -13.807 -5.981 1.00 0.00 H new ATOM 1800 N ASP A 110 7.296 -11.130 -0.931 1.00 0.00 N ATOM 1801 CA ASP A 110 7.624 -12.319 -0.155 1.00 0.00 C ATOM 1802 C ASP A 110 7.765 -11.981 1.326 1.00 0.00 C ATOM 1803 O ASP A 110 7.496 -12.814 2.192 1.00 0.00 O ATOM 1804 CB ASP A 110 8.919 -12.949 -0.671 1.00 0.00 C ATOM 1805 CG ASP A 110 8.666 -14.032 -1.703 1.00 0.00 C ATOM 1806 OD1 ASP A 110 7.888 -14.962 -1.409 1.00 0.00 O ATOM 1807 OD2 ASP A 110 9.246 -13.946 -2.806 1.00 0.00 O ATOM 0 H ASP A 110 8.042 -10.811 -1.549 1.00 0.00 H new ATOM 0 HA ASP A 110 6.809 -13.033 -0.270 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.547 -12.174 -1.109 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.473 -13.372 0.167 1.00 0.00 H new ATOM 1812 N THR A 111 8.188 -10.751 1.612 1.00 0.00 N ATOM 1813 CA THR A 111 8.366 -10.300 2.988 1.00 0.00 C ATOM 1814 C THR A 111 7.117 -10.573 3.822 1.00 0.00 C ATOM 1815 O THR A 111 6.002 -10.591 3.302 1.00 0.00 O ATOM 1816 CB THR A 111 8.696 -8.805 3.018 1.00 0.00 C ATOM 1817 OG1 THR A 111 8.849 -8.296 1.704 1.00 0.00 O ATOM 1818 CG2 THR A 111 9.962 -8.490 3.780 1.00 0.00 C ATOM 0 H THR A 111 8.414 -10.049 0.907 1.00 0.00 H new ATOM 0 HA THR A 111 9.196 -10.859 3.420 1.00 0.00 H new ATOM 0 HB THR A 111 7.855 -8.334 3.527 1.00 0.00 H new ATOM 0 HG1 THR A 111 7.966 -8.117 1.318 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.139 -7.415 3.763 1.00 0.00 H new ATOM 0 HG22 THR A 111 9.858 -8.825 4.812 1.00 0.00 H new ATOM 0 HG23 THR A 111 10.804 -9.003 3.315 1.00 0.00 H new ATOM 1826 N LYS A 112 7.315 -10.783 5.119 1.00 0.00 N ATOM 1827 CA LYS A 112 6.206 -11.054 6.026 1.00 0.00 C ATOM 1828 C LYS A 112 5.325 -9.822 6.190 1.00 0.00 C ATOM 1829 O LYS A 112 4.119 -9.934 6.407 1.00 0.00 O ATOM 1830 CB LYS A 112 6.734 -11.505 7.389 1.00 0.00 C ATOM 1831 CG LYS A 112 5.637 -11.848 8.382 1.00 0.00 C ATOM 1832 CD LYS A 112 4.772 -12.994 7.880 1.00 0.00 C ATOM 1833 CE LYS A 112 5.564 -14.289 7.781 1.00 0.00 C ATOM 1834 NZ LYS A 112 6.104 -14.712 9.103 1.00 0.00 N ATOM 0 H LYS A 112 8.232 -10.771 5.565 1.00 0.00 H new ATOM 0 HA LYS A 112 5.603 -11.854 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.374 -12.377 7.251 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.358 -10.715 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.082 -12.119 9.339 1.00 0.00 H new ATOM 0 HG3 LYS A 112 5.015 -10.970 8.557 1.00 0.00 H new ATOM 0 HD2 LYS A 112 3.926 -13.134 8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.363 -12.741 6.902 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.924 -15.076 7.381 1.00 0.00 H new ATOM 0 HE3 LYS A 112 6.386 -14.159 7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 6.396 -15.709 9.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 6.925 -14.122 9.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 5.369 -14.601 9.830 1.00 0.00 H new ATOM 1848 N ILE A 113 5.934 -8.644 6.088 1.00 0.00 N ATOM 1849 CA ILE A 113 5.201 -7.394 6.225 1.00 0.00 C ATOM 1850 C ILE A 113 4.232 -7.192 5.064 1.00 0.00 C ATOM 1851 O ILE A 113 3.119 -6.698 5.248 1.00 0.00 O ATOM 1852 CB ILE A 113 6.155 -6.184 6.309 1.00 0.00 C ATOM 1853 CG1 ILE A 113 6.902 -5.986 4.988 1.00 0.00 C ATOM 1854 CG2 ILE A 113 7.143 -6.361 7.450 1.00 0.00 C ATOM 1855 CD1 ILE A 113 7.813 -4.781 4.995 1.00 0.00 C ATOM 0 H ILE A 113 6.932 -8.531 5.911 1.00 0.00 H new ATOM 0 HA ILE A 113 4.636 -7.461 7.155 1.00 0.00 H new ATOM 0 HB ILE A 113 5.555 -5.294 6.501 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.491 -6.878 4.774 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.178 -5.881 4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 113 7.807 -5.498 7.493 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.600 -6.449 8.391 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.731 -7.264 7.285 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.313 -4.697 4.030 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.225 -3.882 5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.559 -4.894 5.781 1.00 0.00 H new ATOM 1867 N ALA A 114 4.663 -7.581 3.868 1.00 0.00 N ATOM 1868 CA ALA A 114 3.834 -7.444 2.676 1.00 0.00 C ATOM 1869 C ALA A 114 2.576 -8.300 2.785 1.00 0.00 C ATOM 1870 O ALA A 114 1.483 -7.861 2.431 1.00 0.00 O ATOM 1871 CB ALA A 114 4.628 -7.824 1.436 1.00 0.00 C ATOM 0 H ALA A 114 5.581 -7.993 3.699 1.00 0.00 H new ATOM 0 HA ALA A 114 3.528 -6.401 2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 114 3.997 -7.717 0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.495 -7.169 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 114 4.962 -8.858 1.521 1.00 0.00 H new ATOM 1877 N GLN A 115 2.741 -9.522 3.281 1.00 0.00 N ATOM 1878 CA GLN A 115 1.619 -10.439 3.439 1.00 0.00 C ATOM 1879 C GLN A 115 0.606 -9.891 4.438 1.00 0.00 C ATOM 1880 O GLN A 115 -0.602 -9.958 4.213 1.00 0.00 O ATOM 1881 CB GLN A 115 2.115 -11.812 3.899 1.00 0.00 C ATOM 1882 CG GLN A 115 3.043 -12.487 2.901 1.00 0.00 C ATOM 1883 CD GLN A 115 2.324 -13.496 2.028 1.00 0.00 C ATOM 1884 OE1 GLN A 115 1.634 -14.386 2.525 1.00 0.00 O ATOM 1885 NE2 GLN A 115 2.484 -13.363 0.716 1.00 0.00 N ATOM 0 H GLN A 115 3.640 -9.899 3.580 1.00 0.00 H new ATOM 0 HA GLN A 115 1.129 -10.544 2.471 1.00 0.00 H new ATOM 0 HB2 GLN A 115 2.636 -11.701 4.850 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.256 -12.458 4.079 1.00 0.00 H new ATOM 0 HG2 GLN A 115 3.505 -11.728 2.269 1.00 0.00 H new ATOM 0 HG3 GLN A 115 3.849 -12.986 3.439 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.065 -12.610 0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 115 2.026 -14.013 0.078 1.00 0.00 H new ATOM 1894 N ASP A 116 1.108 -9.347 5.542 1.00 0.00 N ATOM 1895 CA ASP A 116 0.247 -8.785 6.576 1.00 0.00 C ATOM 1896 C ASP A 116 -0.367 -7.465 6.119 1.00 0.00 C ATOM 1897 O ASP A 116 -1.414 -7.053 6.618 1.00 0.00 O ATOM 1898 CB ASP A 116 1.040 -8.571 7.867 1.00 0.00 C ATOM 1899 CG ASP A 116 0.159 -8.130 9.019 1.00 0.00 C ATOM 1900 OD1 ASP A 116 -0.845 -8.819 9.295 1.00 0.00 O ATOM 1901 OD2 ASP A 116 0.472 -7.094 9.643 1.00 0.00 O ATOM 0 H ASP A 116 2.106 -9.284 5.743 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.560 -9.493 6.764 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.549 -9.497 8.136 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.812 -7.821 7.696 1.00 0.00 H new ATOM 1906 N PHE A 117 0.290 -6.806 5.169 1.00 0.00 N ATOM 1907 CA PHE A 117 -0.189 -5.532 4.646 1.00 0.00 C ATOM 1908 C PHE A 117 -1.652 -5.619 4.219 1.00 0.00 C ATOM 1909 O PHE A 117 -2.460 -4.756 4.561 1.00 0.00 O ATOM 1910 CB PHE A 117 0.671 -5.095 3.461 1.00 0.00 C ATOM 1911 CG PHE A 117 0.514 -3.646 3.111 1.00 0.00 C ATOM 1912 CD1 PHE A 117 0.831 -2.661 4.031 1.00 0.00 C ATOM 1913 CD2 PHE A 117 0.049 -3.268 1.861 1.00 0.00 C ATOM 1914 CE1 PHE A 117 0.687 -1.324 3.712 1.00 0.00 C ATOM 1915 CE2 PHE A 117 -0.098 -1.933 1.537 1.00 0.00 C ATOM 1916 CZ PHE A 117 0.222 -0.960 2.464 1.00 0.00 C ATOM 0 H PHE A 117 1.158 -7.135 4.745 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.112 -4.793 5.444 1.00 0.00 H new ATOM 0 HB2 PHE A 117 1.718 -5.294 3.689 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.413 -5.701 2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.195 -2.941 5.009 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.201 -4.025 1.133 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.938 -0.565 4.438 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -0.463 -1.650 0.560 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.109 0.084 2.213 1.00 0.00 H new ATOM 1926 N LEU A 118 -1.986 -6.664 3.468 1.00 0.00 N ATOM 1927 CA LEU A 118 -3.351 -6.855 2.995 1.00 0.00 C ATOM 1928 C LEU A 118 -4.028 -8.019 3.713 1.00 0.00 C ATOM 1929 O LEU A 118 -4.972 -8.615 3.194 1.00 0.00 O ATOM 1930 CB LEU A 118 -3.361 -7.101 1.482 1.00 0.00 C ATOM 1931 CG LEU A 118 -2.749 -5.984 0.627 1.00 0.00 C ATOM 1932 CD1 LEU A 118 -3.286 -6.050 -0.794 1.00 0.00 C ATOM 1933 CD2 LEU A 118 -3.029 -4.616 1.235 1.00 0.00 C ATOM 0 H LEU A 118 -1.331 -7.389 3.175 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.910 -5.945 3.215 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.823 -8.027 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.392 -7.255 1.163 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.669 -6.130 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.842 -5.251 -1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.032 -7.014 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.370 -5.932 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.584 -3.842 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.106 -4.459 1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.597 -4.567 2.235 1.00 0.00 H new ATOM 1945 N GLN A 119 -3.544 -8.341 4.911 1.00 0.00 N ATOM 1946 CA GLN A 119 -4.108 -9.433 5.694 1.00 0.00 C ATOM 1947 C GLN A 119 -4.100 -10.731 4.893 1.00 0.00 C ATOM 1948 O GLN A 119 -5.095 -11.457 4.853 1.00 0.00 O ATOM 1949 CB GLN A 119 -5.534 -9.093 6.130 1.00 0.00 C ATOM 1950 CG GLN A 119 -5.613 -7.911 7.083 1.00 0.00 C ATOM 1951 CD GLN A 119 -6.878 -7.920 7.919 1.00 0.00 C ATOM 1952 OE1 GLN A 119 -7.071 -8.794 8.764 1.00 0.00 O ATOM 1953 NE2 GLN A 119 -7.748 -6.944 7.685 1.00 0.00 N ATOM 0 H GLN A 119 -2.763 -7.860 5.358 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.491 -9.571 6.582 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -6.134 -8.877 5.246 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -5.976 -9.966 6.610 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.746 -7.922 7.743 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -5.566 -6.984 6.511 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -7.546 -6.240 6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -8.618 -6.898 8.216 1.00 0.00 H new ATOM 1962 N LEU A 120 -2.970 -11.014 4.254 1.00 0.00 N ATOM 1963 CA LEU A 120 -2.827 -12.220 3.449 1.00 0.00 C ATOM 1964 C LEU A 120 -2.241 -13.362 4.272 1.00 0.00 C ATOM 1965 O LEU A 120 -1.430 -14.147 3.778 1.00 0.00 O ATOM 1966 CB LEU A 120 -1.939 -11.941 2.232 1.00 0.00 C ATOM 1967 CG LEU A 120 -2.098 -10.548 1.619 1.00 0.00 C ATOM 1968 CD1 LEU A 120 -0.854 -10.163 0.833 1.00 0.00 C ATOM 1969 CD2 LEU A 120 -3.332 -10.495 0.732 1.00 0.00 C ATOM 0 H LEU A 120 -2.139 -10.423 4.279 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.818 -12.519 3.108 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.897 -12.076 2.523 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.155 -12.685 1.466 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.225 -9.828 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.987 -9.169 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.010 -10.159 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.692 -10.884 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.430 -9.497 0.304 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.235 -11.226 -0.071 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.217 -10.724 1.326 1.00 0.00 H new ATOM 1981 N SER A 121 -2.660 -13.451 5.530 1.00 0.00 N ATOM 1982 CA SER A 121 -2.180 -14.500 6.423 1.00 0.00 C ATOM 1983 C SER A 121 -2.716 -15.863 5.996 1.00 0.00 C ATOM 1984 O SER A 121 -3.776 -15.958 5.377 1.00 0.00 O ATOM 1985 CB SER A 121 -2.599 -14.203 7.865 1.00 0.00 C ATOM 1986 OG SER A 121 -1.912 -15.040 8.778 1.00 0.00 O ATOM 0 H SER A 121 -3.330 -12.810 5.954 1.00 0.00 H new ATOM 0 HA SER A 121 -1.092 -14.522 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 121 -2.393 -13.158 8.099 1.00 0.00 H new ATOM 0 HB3 SER A 121 -3.674 -14.348 7.972 1.00 0.00 H new ATOM 0 HG SER A 121 -2.196 -14.829 9.692 1.00 0.00 H new ATOM 1992 N LYS A 122 -1.978 -16.916 6.331 1.00 0.00 N ATOM 1993 CA LYS A 122 -2.378 -18.274 5.982 1.00 0.00 C ATOM 1994 C LYS A 122 -2.803 -19.056 7.224 1.00 0.00 C ATOM 1995 O LYS A 122 -1.961 -19.464 8.025 1.00 0.00 O ATOM 1996 CB LYS A 122 -1.229 -19.001 5.281 1.00 0.00 C ATOM 1997 CG LYS A 122 0.114 -18.819 5.968 1.00 0.00 C ATOM 1998 CD LYS A 122 1.110 -19.883 5.537 1.00 0.00 C ATOM 1999 CE LYS A 122 2.301 -19.947 6.480 1.00 0.00 C ATOM 2000 NZ LYS A 122 2.834 -18.592 6.794 1.00 0.00 N ATOM 0 H LYS A 122 -1.099 -16.855 6.844 1.00 0.00 H new ATOM 0 HA LYS A 122 -3.230 -18.211 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -1.460 -20.065 5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.155 -18.641 4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.512 -17.831 5.735 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -0.020 -18.862 7.049 1.00 0.00 H new ATOM 0 HD2 LYS A 122 0.616 -20.854 5.507 1.00 0.00 H new ATOM 0 HD3 LYS A 122 1.456 -19.670 4.526 1.00 0.00 H new ATOM 0 HE2 LYS A 122 2.006 -20.444 7.404 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.088 -20.552 6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.778 -18.681 7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 2.901 -18.034 5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 2.196 -18.114 7.462 1.00 0.00 H new ATOM 2014 N PRO A 123 -4.119 -19.278 7.405 1.00 0.00 N ATOM 2015 CA PRO A 123 -4.641 -20.017 8.560 1.00 0.00 C ATOM 2016 C PRO A 123 -3.932 -21.353 8.761 1.00 0.00 C ATOM 2017 O PRO A 123 -3.844 -22.165 7.840 1.00 0.00 O ATOM 2018 CB PRO A 123 -6.112 -20.242 8.202 1.00 0.00 C ATOM 2019 CG PRO A 123 -6.451 -19.123 7.281 1.00 0.00 C ATOM 2020 CD PRO A 123 -5.197 -18.831 6.502 1.00 0.00 C ATOM 0 HA PRO A 123 -4.494 -19.473 9.493 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -6.259 -21.209 7.721 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -6.743 -20.228 9.091 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -7.268 -19.400 6.615 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -6.777 -18.245 7.838 1.00 0.00 H new ATOM 0 HD2 PRO A 123 -5.178 -19.371 5.555 1.00 0.00 H new ATOM 0 HD3 PRO A 123 -5.109 -17.771 6.266 1.00 0.00 H new ATOM 2028 N ASN A 124 -3.429 -21.574 9.971 1.00 0.00 N ATOM 2029 CA ASN A 124 -2.727 -22.811 10.293 1.00 0.00 C ATOM 2030 C ASN A 124 -3.706 -23.972 10.429 1.00 0.00 C ATOM 2031 O ASN A 124 -4.748 -23.793 11.094 1.00 0.00 O ATOM 2032 CB ASN A 124 -1.928 -22.645 11.588 1.00 0.00 C ATOM 2033 CG ASN A 124 -0.565 -23.304 11.513 1.00 0.00 C ATOM 2034 OD1 ASN A 124 0.260 -22.957 10.669 1.00 0.00 O ATOM 2035 ND2 ASN A 124 -0.322 -24.262 12.400 1.00 0.00 N ATOM 2036 OXT ASN A 124 -3.423 -25.053 9.869 1.00 0.00 O ATOM 0 H ASN A 124 -3.494 -20.913 10.745 1.00 0.00 H new ATOM 0 HA ASN A 124 -2.040 -23.034 9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 124 -1.804 -21.583 11.802 1.00 0.00 H new ATOM 0 HB3 ASN A 124 -2.491 -23.074 12.417 1.00 0.00 H new ATOM 0 HD21 ASN A 124 0.578 -24.742 12.399 1.00 0.00 H new ATOM 0 HD22 ASN A 124 -1.035 -24.518 13.083 1.00 0.00 H new TER 2043 ASN A 124