USER MOD reduce.3.24.130724 H: found=0, std=0, add=839, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 841 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 ASN : amide:sc= 1.26 K(o=1.3,f=-0.26) USER MOD Set 1.2: A 92 GLN : amide:sc=-0.00806 K(o=1.3,f=0.49) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.0301 (180deg=-0.225) USER MOD Single : A 14 CYS SG : rot 126:sc= -0.108 USER MOD Single : A 21 THR OG1 : rot -87:sc= 0.31 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 100:sc= 0.618 USER MOD Single : A 28 SER OG : rot -5:sc= 0.874 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -135:sc= 0.511 (180deg=0.194) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -108:sc= 1.23 (180deg=-0.0166) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 158:sc= 0.548 (180deg=0.311) USER MOD Single : A 50 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.016) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0.058) USER MOD Single : A 53 CYS SG : rot 60:sc= -3.52! USER MOD Single : A 54 LYS NZ :NH3+ -131:sc= -1.34 (180deg=-3.9!) USER MOD Single : A 57 LYS NZ :NH3+ -122:sc= 1.04 (180deg=-0.245) USER MOD Single : A 62 LYS NZ :NH3+ -123:sc= 0.183 (180deg=-0.482) USER MOD Single : A 63 LYS NZ :NH3+ 135:sc= -0.188 (180deg=-1.46!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -167:sc= -0.0522 (180deg=-0.26) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0.348 (180deg=0.348) USER MOD Single : A 86 ASN : amide:sc= 0.376 X(o=0.38,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 0.796 (180deg=0.794) USER MOD Single : A 93 SER OG : rot 170:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 34:sc= 0.369 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLU A 5 3.919 -16.996 -4.672 1.00 13.31 N ATOM 60 CA GLU A 5 3.564 -16.514 -6.023 1.00 30.41 C ATOM 61 C GLU A 5 2.920 -15.116 -5.962 1.00 33.30 C ATOM 62 O GLU A 5 2.620 -14.518 -6.999 1.00 31.10 O ATOM 63 CB GLU A 5 2.584 -17.520 -6.710 1.00 70.22 C ATOM 64 CG GLU A 5 3.079 -18.993 -6.800 1.00 33.44 C ATOM 65 CD GLU A 5 3.159 -19.725 -5.440 1.00 33.42 C ATOM 66 OE1 GLU A 5 2.155 -19.707 -4.693 1.00 2.42 O ATOM 67 OE2 GLU A 5 4.214 -20.320 -5.113 1.00 53.51 O ATOM 0 HA GLU A 5 4.480 -16.443 -6.609 1.00 30.41 H new ATOM 0 HB2 GLU A 5 1.639 -17.507 -6.166 1.00 70.22 H new ATOM 0 HB3 GLU A 5 2.376 -17.164 -7.719 1.00 70.22 H new ATOM 0 HG2 GLU A 5 2.411 -19.548 -7.459 1.00 33.44 H new ATOM 0 HG3 GLU A 5 4.066 -19.004 -7.263 1.00 33.44 H new ATOM 74 N LEU A 6 2.711 -14.612 -4.733 1.00 3.31 N ATOM 75 CA LEU A 6 2.018 -13.338 -4.494 1.00 2.13 C ATOM 76 C LEU A 6 3.007 -12.186 -4.679 1.00 21.35 C ATOM 77 O LEU A 6 3.758 -11.835 -3.767 1.00 2.11 O ATOM 78 CB LEU A 6 1.398 -13.332 -3.068 1.00 52.52 C ATOM 79 CG LEU A 6 0.059 -14.122 -2.883 1.00 40.10 C ATOM 80 CD1 LEU A 6 0.116 -15.555 -3.445 1.00 11.41 C ATOM 81 CD2 LEU A 6 -0.354 -14.141 -1.405 1.00 51.34 C ATOM 0 H LEU A 6 3.018 -15.078 -3.879 1.00 3.31 H new ATOM 0 HA LEU A 6 1.205 -13.214 -5.210 1.00 2.13 H new ATOM 0 HB2 LEU A 6 2.133 -13.741 -2.375 1.00 52.52 H new ATOM 0 HB3 LEU A 6 1.226 -12.296 -2.776 1.00 52.52 H new ATOM 0 HG LEU A 6 -0.695 -13.592 -3.464 1.00 40.10 H new ATOM 0 HD11 LEU A 6 -0.843 -16.047 -3.285 1.00 11.41 H new ATOM 0 HD12 LEU A 6 0.331 -15.519 -4.513 1.00 11.41 H new ATOM 0 HD13 LEU A 6 0.901 -16.115 -2.936 1.00 11.41 H new ATOM 0 HD21 LEU A 6 -1.287 -14.694 -1.295 1.00 51.34 H new ATOM 0 HD22 LEU A 6 0.426 -14.623 -0.816 1.00 51.34 H new ATOM 0 HD23 LEU A 6 -0.495 -13.119 -1.053 1.00 51.34 H new ATOM 93 N ARG A 7 2.980 -11.598 -5.876 1.00 11.43 N ATOM 94 CA ARG A 7 3.951 -10.588 -6.296 1.00 51.54 C ATOM 95 C ARG A 7 3.395 -9.196 -6.015 1.00 14.40 C ATOM 96 O ARG A 7 2.437 -8.759 -6.656 1.00 15.13 O ATOM 97 CB ARG A 7 4.281 -10.765 -7.796 1.00 14.00 C ATOM 98 CG ARG A 7 4.669 -12.208 -8.173 1.00 72.50 C ATOM 99 CD ARG A 7 5.163 -12.360 -9.620 1.00 64.10 C ATOM 100 NE ARG A 7 5.426 -13.765 -9.976 1.00 2.14 N ATOM 101 CZ ARG A 7 6.451 -14.510 -9.523 1.00 32.22 C ATOM 102 NH1 ARG A 7 7.366 -14.012 -8.696 1.00 44.21 N ATOM 103 NH2 ARG A 7 6.563 -15.760 -9.933 1.00 35.41 N ATOM 0 H ARG A 7 2.279 -11.811 -6.586 1.00 11.43 H new ATOM 0 HA ARG A 7 4.875 -10.710 -5.731 1.00 51.54 H new ATOM 0 HB2 ARG A 7 3.417 -10.463 -8.388 1.00 14.00 H new ATOM 0 HB3 ARG A 7 5.099 -10.096 -8.061 1.00 14.00 H new ATOM 0 HG2 ARG A 7 5.449 -12.553 -7.495 1.00 72.50 H new ATOM 0 HG3 ARG A 7 3.806 -12.857 -8.024 1.00 72.50 H new ATOM 0 HD2 ARG A 7 4.418 -11.948 -10.301 1.00 64.10 H new ATOM 0 HD3 ARG A 7 6.074 -11.777 -9.754 1.00 64.10 H new ATOM 0 HE ARG A 7 4.775 -14.212 -10.622 1.00 2.14 H new ATOM 0 HH11 ARG A 7 7.302 -13.041 -8.389 1.00 44.21 H new ATOM 0 HH12 ARG A 7 8.132 -14.601 -8.369 1.00 44.21 H new ATOM 0 HH21 ARG A 7 5.879 -16.147 -10.583 1.00 35.41 H new ATOM 0 HH22 ARG A 7 7.334 -16.339 -9.600 1.00 35.41 H new ATOM 117 N VAL A 8 4.010 -8.508 -5.049 1.00 11.42 N ATOM 118 CA VAL A 8 3.562 -7.187 -4.596 1.00 64.50 C ATOM 119 C VAL A 8 4.434 -6.124 -5.274 1.00 23.33 C ATOM 120 O VAL A 8 5.654 -6.173 -5.154 1.00 44.43 O ATOM 121 CB VAL A 8 3.675 -7.026 -3.028 1.00 35.33 C ATOM 122 CG1 VAL A 8 2.932 -5.758 -2.551 1.00 64.40 C ATOM 123 CG2 VAL A 8 3.166 -8.280 -2.283 1.00 54.04 C ATOM 0 H VAL A 8 4.835 -8.852 -4.557 1.00 11.42 H new ATOM 0 HA VAL A 8 2.512 -7.070 -4.864 1.00 64.50 H new ATOM 0 HB VAL A 8 4.732 -6.915 -2.787 1.00 35.33 H new ATOM 0 HG11 VAL A 8 3.024 -5.668 -1.469 1.00 64.40 H new ATOM 0 HG12 VAL A 8 3.369 -4.880 -3.026 1.00 64.40 H new ATOM 0 HG13 VAL A 8 1.879 -5.830 -2.821 1.00 64.40 H new ATOM 0 HG21 VAL A 8 3.261 -8.128 -1.208 1.00 54.04 H new ATOM 0 HG22 VAL A 8 2.119 -8.453 -2.534 1.00 54.04 H new ATOM 0 HG23 VAL A 8 3.758 -9.145 -2.581 1.00 54.04 H new ATOM 133 N GLU A 9 3.810 -5.214 -6.026 1.00 24.54 N ATOM 134 CA GLU A 9 4.494 -4.062 -6.641 1.00 63.23 C ATOM 135 C GLU A 9 3.947 -2.774 -6.016 1.00 22.32 C ATOM 136 O GLU A 9 2.882 -2.295 -6.414 1.00 71.15 O ATOM 137 CB GLU A 9 4.263 -4.046 -8.181 1.00 43.33 C ATOM 138 CG GLU A 9 4.840 -5.256 -8.937 1.00 23.33 C ATOM 139 CD GLU A 9 4.580 -5.192 -10.451 1.00 22.44 C ATOM 140 OE1 GLU A 9 5.179 -4.331 -11.133 1.00 62.55 O ATOM 141 OE2 GLU A 9 3.780 -5.999 -10.970 1.00 1.04 O ATOM 0 H GLU A 9 2.811 -5.251 -6.229 1.00 24.54 H new ATOM 0 HA GLU A 9 5.566 -4.139 -6.460 1.00 63.23 H new ATOM 0 HB2 GLU A 9 3.191 -3.994 -8.372 1.00 43.33 H new ATOM 0 HB3 GLU A 9 4.704 -3.137 -8.590 1.00 43.33 H new ATOM 0 HG2 GLU A 9 5.914 -5.311 -8.759 1.00 23.33 H new ATOM 0 HG3 GLU A 9 4.403 -6.171 -8.536 1.00 23.33 H new ATOM 148 N ILE A 10 4.656 -2.220 -5.022 1.00 65.22 N ATOM 149 CA ILE A 10 4.265 -0.939 -4.422 1.00 70.45 C ATOM 150 C ILE A 10 5.001 0.176 -5.180 1.00 25.10 C ATOM 151 O ILE A 10 6.230 0.250 -5.138 1.00 31.31 O ATOM 152 CB ILE A 10 4.629 -0.853 -2.892 1.00 5.35 C ATOM 153 CG1 ILE A 10 3.983 -2.020 -2.081 1.00 0.55 C ATOM 154 CG2 ILE A 10 4.221 0.525 -2.309 1.00 1.10 C ATOM 155 CD1 ILE A 10 2.463 -2.029 -2.062 1.00 72.02 C ATOM 0 H ILE A 10 5.496 -2.636 -4.620 1.00 65.22 H new ATOM 0 HA ILE A 10 3.183 -0.837 -4.499 1.00 70.45 H new ATOM 0 HB ILE A 10 5.710 -0.956 -2.802 1.00 5.35 H new ATOM 0 HG12 ILE A 10 4.331 -2.966 -2.496 1.00 0.55 H new ATOM 0 HG13 ILE A 10 4.343 -1.971 -1.053 1.00 0.55 H new ATOM 0 HG21 ILE A 10 4.481 0.564 -1.251 1.00 1.10 H new ATOM 0 HG22 ILE A 10 4.749 1.316 -2.842 1.00 1.10 H new ATOM 0 HG23 ILE A 10 3.146 0.665 -2.424 1.00 1.10 H new ATOM 0 HD11 ILE A 10 2.111 -2.877 -1.474 1.00 72.02 H new ATOM 0 HD12 ILE A 10 2.099 -1.103 -1.617 1.00 72.02 H new ATOM 0 HD13 ILE A 10 2.087 -2.114 -3.082 1.00 72.02 H new ATOM 167 N LYS A 11 4.242 1.015 -5.874 1.00 61.42 N ATOM 168 CA LYS A 11 4.772 2.126 -6.669 1.00 41.04 C ATOM 169 C LYS A 11 4.420 3.442 -5.957 1.00 62.43 C ATOM 170 O LYS A 11 3.249 3.722 -5.708 1.00 74.22 O ATOM 171 CB LYS A 11 4.189 2.062 -8.126 1.00 35.43 C ATOM 172 CG LYS A 11 4.985 2.843 -9.214 1.00 74.12 C ATOM 173 CD LYS A 11 4.884 4.386 -9.089 1.00 63.22 C ATOM 174 CE LYS A 11 5.818 5.135 -10.048 1.00 12.20 C ATOM 175 NZ LYS A 11 5.762 6.612 -9.835 1.00 33.31 N ATOM 0 H LYS A 11 3.225 0.945 -5.904 1.00 61.42 H new ATOM 0 HA LYS A 11 5.857 2.061 -6.757 1.00 41.04 H new ATOM 0 HB2 LYS A 11 4.131 1.016 -8.427 1.00 35.43 H new ATOM 0 HB3 LYS A 11 3.169 2.445 -8.105 1.00 35.43 H new ATOM 0 HG2 LYS A 11 6.034 2.553 -9.159 1.00 74.12 H new ATOM 0 HG3 LYS A 11 4.623 2.545 -10.198 1.00 74.12 H new ATOM 0 HD2 LYS A 11 3.856 4.693 -9.281 1.00 63.22 H new ATOM 0 HD3 LYS A 11 5.117 4.677 -8.065 1.00 63.22 H new ATOM 0 HE2 LYS A 11 6.841 4.786 -9.906 1.00 12.20 H new ATOM 0 HE3 LYS A 11 5.542 4.905 -11.077 1.00 12.20 H new ATOM 0 HZ1 LYS A 11 6.054 7.100 -10.706 1.00 33.31 H new ATOM 0 HZ2 LYS A 11 4.790 6.891 -9.591 1.00 33.31 H new ATOM 0 HZ3 LYS A 11 6.403 6.875 -9.059 1.00 33.31 H new ATOM 189 N ILE A 12 5.443 4.241 -5.623 1.00 1.42 N ATOM 190 CA ILE A 12 5.260 5.585 -5.045 1.00 3.42 C ATOM 191 C ILE A 12 5.596 6.627 -6.128 1.00 33.44 C ATOM 192 O ILE A 12 6.557 6.448 -6.879 1.00 75.35 O ATOM 193 CB ILE A 12 6.181 5.804 -3.778 1.00 43.13 C ATOM 194 CG1 ILE A 12 6.056 4.609 -2.773 1.00 13.34 C ATOM 195 CG2 ILE A 12 5.865 7.152 -3.078 1.00 73.41 C ATOM 196 CD1 ILE A 12 4.657 4.357 -2.234 1.00 5.22 C ATOM 0 H ILE A 12 6.421 3.977 -5.745 1.00 1.42 H new ATOM 0 HA ILE A 12 4.226 5.693 -4.716 1.00 3.42 H new ATOM 0 HB ILE A 12 7.213 5.843 -4.126 1.00 43.13 H new ATOM 0 HG12 ILE A 12 6.406 3.702 -3.267 1.00 13.34 H new ATOM 0 HG13 ILE A 12 6.724 4.792 -1.932 1.00 13.34 H new ATOM 0 HG21 ILE A 12 6.515 7.273 -2.211 1.00 73.41 H new ATOM 0 HG22 ILE A 12 6.034 7.973 -3.775 1.00 73.41 H new ATOM 0 HG23 ILE A 12 4.824 7.159 -2.755 1.00 73.41 H new ATOM 0 HD11 ILE A 12 4.678 3.510 -1.548 1.00 5.22 H new ATOM 0 HD12 ILE A 12 4.306 5.243 -1.706 1.00 5.22 H new ATOM 0 HD13 ILE A 12 3.983 4.137 -3.061 1.00 5.22 H new ATOM 208 N ASP A 13 4.793 7.688 -6.245 1.00 11.14 N ATOM 209 CA ASP A 13 5.079 8.794 -7.175 1.00 33.41 C ATOM 210 C ASP A 13 5.720 9.959 -6.398 1.00 2.33 C ATOM 211 O ASP A 13 5.032 10.697 -5.697 1.00 70.23 O ATOM 212 CB ASP A 13 3.781 9.223 -7.899 1.00 2.24 C ATOM 213 CG ASP A 13 3.975 10.427 -8.841 1.00 42.12 C ATOM 214 OD1 ASP A 13 4.516 10.234 -9.954 1.00 70.43 O ATOM 215 OD2 ASP A 13 3.578 11.559 -8.480 1.00 11.32 O ATOM 0 H ASP A 13 3.935 7.808 -5.707 1.00 11.14 H new ATOM 0 HA ASP A 13 5.785 8.470 -7.939 1.00 33.41 H new ATOM 0 HB2 ASP A 13 3.399 8.379 -8.474 1.00 2.24 H new ATOM 0 HB3 ASP A 13 3.024 9.471 -7.155 1.00 2.24 H new ATOM 220 N CYS A 14 7.053 10.082 -6.510 1.00 62.35 N ATOM 221 CA CYS A 14 7.843 11.125 -5.820 1.00 13.35 C ATOM 222 C CYS A 14 9.133 11.373 -6.590 1.00 15.03 C ATOM 223 O CYS A 14 9.565 12.519 -6.761 1.00 53.33 O ATOM 224 CB CYS A 14 8.170 10.706 -4.376 1.00 75.40 C ATOM 225 SG CYS A 14 9.118 11.929 -3.432 1.00 24.30 S ATOM 0 H CYS A 14 7.620 9.458 -7.085 1.00 62.35 H new ATOM 0 HA CYS A 14 7.252 12.040 -5.782 1.00 13.35 H new ATOM 0 HB2 CYS A 14 7.237 10.504 -3.850 1.00 75.40 H new ATOM 0 HB3 CYS A 14 8.731 9.771 -4.401 1.00 75.40 H new ATOM 0 HG CYS A 14 8.494 12.201 -2.324 1.00 24.30 H new ATOM 313 N THR A 21 9.875 3.821 -8.383 1.00 30.33 N ATOM 314 CA THR A 21 10.038 3.204 -7.058 1.00 72.41 C ATOM 315 C THR A 21 9.087 2.009 -6.956 1.00 33.50 C ATOM 316 O THR A 21 7.876 2.183 -7.022 1.00 14.45 O ATOM 317 CB THR A 21 9.756 4.221 -5.900 1.00 60.54 C ATOM 318 OG1 THR A 21 8.436 4.757 -6.024 1.00 42.01 O ATOM 319 CG2 THR A 21 10.761 5.381 -5.883 1.00 72.42 C ATOM 0 HA THR A 21 11.072 2.878 -6.950 1.00 72.41 H new ATOM 0 HB THR A 21 9.857 3.669 -4.966 1.00 60.54 H new ATOM 0 HG1 THR A 21 8.454 5.537 -6.617 1.00 42.01 H new ATOM 0 HG21 THR A 21 10.522 6.057 -5.062 1.00 72.42 H new ATOM 0 HG22 THR A 21 11.768 4.988 -5.747 1.00 72.42 H new ATOM 0 HG23 THR A 21 10.707 5.923 -6.827 1.00 72.42 H new ATOM 327 N THR A 22 9.651 0.799 -6.870 1.00 51.32 N ATOM 328 CA THR A 22 8.884 -0.446 -6.697 1.00 43.32 C ATOM 329 C THR A 22 9.425 -1.210 -5.487 1.00 43.43 C ATOM 330 O THR A 22 10.645 -1.288 -5.291 1.00 22.52 O ATOM 331 CB THR A 22 8.939 -1.354 -7.976 1.00 71.34 C ATOM 332 OG1 THR A 22 10.303 -1.522 -8.408 1.00 1.12 O ATOM 333 CG2 THR A 22 8.099 -0.771 -9.126 1.00 15.03 C ATOM 0 H THR A 22 10.659 0.652 -6.918 1.00 51.32 H new ATOM 0 HA THR A 22 7.840 -0.179 -6.535 1.00 43.32 H new ATOM 0 HB THR A 22 8.517 -2.323 -7.708 1.00 71.34 H new ATOM 0 HG1 THR A 22 10.326 -2.091 -9.205 1.00 1.12 H new ATOM 0 HG21 THR A 22 8.163 -1.429 -9.993 1.00 15.03 H new ATOM 0 HG22 THR A 22 7.059 -0.687 -8.811 1.00 15.03 H new ATOM 0 HG23 THR A 22 8.479 0.216 -9.390 1.00 15.03 H new ATOM 341 N TYR A 23 8.504 -1.752 -4.672 1.00 15.21 N ATOM 342 CA TYR A 23 8.836 -2.580 -3.503 1.00 43.11 C ATOM 343 C TYR A 23 8.195 -3.964 -3.692 1.00 44.32 C ATOM 344 O TYR A 23 6.977 -4.056 -3.884 1.00 54.24 O ATOM 345 CB TYR A 23 8.296 -1.902 -2.211 1.00 53.23 C ATOM 346 CG TYR A 23 8.795 -0.458 -1.986 1.00 32.42 C ATOM 347 CD1 TYR A 23 8.106 0.634 -2.530 1.00 41.42 C ATOM 348 CD2 TYR A 23 9.945 -0.184 -1.238 1.00 33.52 C ATOM 349 CE1 TYR A 23 8.538 1.931 -2.336 1.00 1.23 C ATOM 350 CE2 TYR A 23 10.381 1.121 -1.043 1.00 0.32 C ATOM 351 CZ TYR A 23 9.671 2.173 -1.597 1.00 62.21 C ATOM 352 OH TYR A 23 10.094 3.473 -1.400 1.00 20.35 O ATOM 0 H TYR A 23 7.501 -1.626 -4.808 1.00 15.21 H new ATOM 0 HA TYR A 23 9.916 -2.687 -3.407 1.00 43.11 H new ATOM 0 HB2 TYR A 23 7.207 -1.894 -2.249 1.00 53.23 H new ATOM 0 HB3 TYR A 23 8.581 -2.509 -1.352 1.00 53.23 H new ATOM 0 HD1 TYR A 23 7.216 0.457 -3.115 1.00 41.42 H new ATOM 0 HD2 TYR A 23 10.503 -1.001 -0.805 1.00 33.52 H new ATOM 0 HE1 TYR A 23 7.986 2.754 -2.765 1.00 1.23 H new ATOM 0 HE2 TYR A 23 11.270 1.314 -0.461 1.00 0.32 H new ATOM 0 HH TYR A 23 10.909 3.473 -0.856 1.00 20.35 H new ATOM 362 N ASP A 24 9.023 -5.023 -3.627 1.00 53.35 N ATOM 363 CA ASP A 24 8.569 -6.421 -3.756 1.00 14.55 C ATOM 364 C ASP A 24 8.563 -7.071 -2.365 1.00 41.45 C ATOM 365 O ASP A 24 9.611 -7.265 -1.741 1.00 11.44 O ATOM 366 CB ASP A 24 9.447 -7.207 -4.776 1.00 22.30 C ATOM 367 CG ASP A 24 10.943 -7.267 -4.424 1.00 52.15 C ATOM 368 OD1 ASP A 24 11.629 -6.221 -4.522 1.00 74.34 O ATOM 369 OD2 ASP A 24 11.441 -8.350 -4.042 1.00 52.42 O ATOM 0 H ASP A 24 10.029 -4.933 -3.483 1.00 53.35 H new ATOM 0 HA ASP A 24 7.554 -6.444 -4.153 1.00 14.55 H new ATOM 0 HB2 ASP A 24 9.065 -8.225 -4.855 1.00 22.30 H new ATOM 0 HB3 ASP A 24 9.337 -6.748 -5.759 1.00 22.30 H new ATOM 374 N LEU A 25 7.360 -7.363 -1.867 1.00 72.22 N ATOM 375 CA LEU A 25 7.139 -7.714 -0.451 1.00 60.33 C ATOM 376 C LEU A 25 6.860 -9.211 -0.283 1.00 10.20 C ATOM 377 O LEU A 25 7.447 -9.865 0.587 1.00 24.23 O ATOM 378 CB LEU A 25 5.964 -6.866 0.085 1.00 51.44 C ATOM 379 CG LEU A 25 6.081 -5.325 -0.148 1.00 62.44 C ATOM 380 CD1 LEU A 25 4.888 -4.594 0.471 1.00 14.34 C ATOM 381 CD2 LEU A 25 7.424 -4.753 0.376 1.00 63.01 C ATOM 0 H LEU A 25 6.508 -7.365 -2.428 1.00 72.22 H new ATOM 0 HA LEU A 25 8.041 -7.497 0.121 1.00 60.33 H new ATOM 0 HB2 LEU A 25 5.044 -7.217 -0.382 1.00 51.44 H new ATOM 0 HB3 LEU A 25 5.868 -7.047 1.156 1.00 51.44 H new ATOM 0 HG LEU A 25 6.067 -5.157 -1.225 1.00 62.44 H new ATOM 0 HD11 LEU A 25 4.988 -3.522 0.298 1.00 14.34 H new ATOM 0 HD12 LEU A 25 3.965 -4.951 0.013 1.00 14.34 H new ATOM 0 HD13 LEU A 25 4.859 -4.787 1.543 1.00 14.34 H new ATOM 0 HD21 LEU A 25 7.459 -3.679 0.192 1.00 63.01 H new ATOM 0 HD22 LEU A 25 7.506 -4.940 1.447 1.00 63.01 H new ATOM 0 HD23 LEU A 25 8.252 -5.237 -0.142 1.00 63.01 H new ATOM 393 N TYR A 26 5.951 -9.714 -1.134 1.00 15.54 N ATOM 394 CA TYR A 26 5.517 -11.121 -1.163 1.00 41.12 C ATOM 395 C TYR A 26 4.828 -11.551 0.152 1.00 54.24 C ATOM 396 O TYR A 26 5.488 -11.784 1.165 1.00 31.23 O ATOM 397 CB TYR A 26 6.693 -12.072 -1.561 1.00 32.54 C ATOM 398 CG TYR A 26 7.068 -11.991 -3.055 1.00 63.54 C ATOM 399 CD1 TYR A 26 7.701 -10.862 -3.587 1.00 72.41 C ATOM 400 CD2 TYR A 26 6.753 -13.030 -3.938 1.00 1.21 C ATOM 401 CE1 TYR A 26 8.011 -10.780 -4.931 1.00 43.22 C ATOM 402 CE2 TYR A 26 7.056 -12.943 -5.283 1.00 15.40 C ATOM 403 CZ TYR A 26 7.682 -11.820 -5.771 1.00 64.21 C ATOM 404 OH TYR A 26 7.967 -11.733 -7.116 1.00 34.00 O ATOM 0 H TYR A 26 5.486 -9.140 -1.838 1.00 15.54 H new ATOM 0 HA TYR A 26 4.758 -11.208 -1.941 1.00 41.12 H new ATOM 0 HB2 TYR A 26 7.569 -11.826 -0.960 1.00 32.54 H new ATOM 0 HB3 TYR A 26 6.418 -13.098 -1.318 1.00 32.54 H new ATOM 0 HD1 TYR A 26 7.952 -10.039 -2.934 1.00 72.41 H new ATOM 0 HD2 TYR A 26 6.264 -13.916 -3.561 1.00 1.21 H new ATOM 0 HE1 TYR A 26 8.509 -9.904 -5.321 1.00 43.22 H new ATOM 0 HE2 TYR A 26 6.802 -13.754 -5.949 1.00 15.40 H new ATOM 0 HH TYR A 26 8.786 -12.234 -7.310 1.00 34.00 H new ATOM 414 N PHE A 27 3.488 -11.631 0.119 1.00 0.43 N ATOM 415 CA PHE A 27 2.688 -12.168 1.231 1.00 43.32 C ATOM 416 C PHE A 27 2.720 -13.704 1.178 1.00 1.45 C ATOM 417 O PHE A 27 2.685 -14.281 0.090 1.00 30.22 O ATOM 418 CB PHE A 27 1.214 -11.657 1.137 1.00 20.11 C ATOM 419 CG PHE A 27 0.275 -12.201 2.233 1.00 42.55 C ATOM 420 CD1 PHE A 27 0.175 -11.574 3.466 1.00 71.54 C ATOM 421 CD2 PHE A 27 -0.495 -13.354 2.032 1.00 35.45 C ATOM 422 CE1 PHE A 27 -0.653 -12.078 4.455 1.00 2.50 C ATOM 423 CE2 PHE A 27 -1.313 -13.855 3.025 1.00 1.34 C ATOM 424 CZ PHE A 27 -1.394 -13.216 4.233 1.00 23.14 C ATOM 0 H PHE A 27 2.930 -11.326 -0.678 1.00 0.43 H new ATOM 0 HA PHE A 27 3.109 -11.826 2.177 1.00 43.32 H new ATOM 0 HB2 PHE A 27 1.217 -10.568 1.187 1.00 20.11 H new ATOM 0 HB3 PHE A 27 0.810 -11.930 0.162 1.00 20.11 H new ATOM 0 HD1 PHE A 27 0.751 -10.681 3.657 1.00 71.54 H new ATOM 0 HD2 PHE A 27 -0.448 -13.862 1.080 1.00 35.45 H new ATOM 0 HE1 PHE A 27 -0.718 -11.574 5.408 1.00 2.50 H new ATOM 0 HE2 PHE A 27 -1.889 -14.751 2.849 1.00 1.34 H new ATOM 0 HZ PHE A 27 -2.037 -13.604 5.009 1.00 23.14 H new ATOM 434 N SER A 28 2.798 -14.342 2.353 1.00 53.04 N ATOM 435 CA SER A 28 2.575 -15.797 2.516 1.00 33.32 C ATOM 436 C SER A 28 2.022 -16.100 3.922 1.00 1.20 C ATOM 437 O SER A 28 1.357 -17.124 4.118 1.00 73.45 O ATOM 438 CB SER A 28 3.872 -16.608 2.220 1.00 3.12 C ATOM 439 OG SER A 28 4.993 -16.139 2.955 1.00 72.23 O ATOM 0 H SER A 28 3.019 -13.866 3.228 1.00 53.04 H new ATOM 0 HA SER A 28 1.830 -16.113 1.785 1.00 33.32 H new ATOM 0 HB2 SER A 28 3.701 -17.658 2.457 1.00 3.12 H new ATOM 0 HB3 SER A 28 4.094 -16.554 1.154 1.00 3.12 H new ATOM 0 HG SER A 28 4.745 -15.329 3.448 1.00 72.23 H new ATOM 445 N LYS A 29 2.297 -15.207 4.901 1.00 14.23 N ATOM 446 CA LYS A 29 1.801 -15.332 6.291 1.00 3.33 C ATOM 447 C LYS A 29 1.288 -13.967 6.787 1.00 65.53 C ATOM 448 O LYS A 29 1.766 -12.910 6.344 1.00 53.52 O ATOM 449 CB LYS A 29 2.913 -15.874 7.236 1.00 42.33 C ATOM 450 CG LYS A 29 3.420 -17.288 6.884 1.00 35.22 C ATOM 451 CD LYS A 29 4.502 -17.811 7.854 1.00 63.32 C ATOM 452 CE LYS A 29 4.962 -19.235 7.492 1.00 71.33 C ATOM 453 NZ LYS A 29 5.954 -19.769 8.458 1.00 22.31 N ATOM 0 H LYS A 29 2.871 -14.377 4.748 1.00 14.23 H new ATOM 0 HA LYS A 29 0.978 -16.047 6.302 1.00 3.33 H new ATOM 0 HB2 LYS A 29 3.757 -15.184 7.216 1.00 42.33 H new ATOM 0 HB3 LYS A 29 2.532 -15.882 8.257 1.00 42.33 H new ATOM 0 HG2 LYS A 29 2.577 -17.979 6.885 1.00 35.22 H new ATOM 0 HG3 LYS A 29 3.824 -17.280 5.872 1.00 35.22 H new ATOM 0 HD2 LYS A 29 5.359 -17.138 7.838 1.00 63.32 H new ATOM 0 HD3 LYS A 29 4.111 -17.804 8.871 1.00 63.32 H new ATOM 0 HE2 LYS A 29 4.097 -19.897 7.460 1.00 71.33 H new ATOM 0 HE3 LYS A 29 5.397 -19.231 6.493 1.00 71.33 H new ATOM 0 HZ1 LYS A 29 6.234 -20.729 8.173 1.00 22.31 H new ATOM 0 HZ2 LYS A 29 6.792 -19.154 8.471 1.00 22.31 H new ATOM 0 HZ3 LYS A 29 5.532 -19.799 9.408 1.00 22.31 H new ATOM 467 N ALA A 30 0.328 -14.023 7.729 1.00 74.31 N ATOM 468 CA ALA A 30 -0.398 -12.854 8.268 1.00 11.12 C ATOM 469 C ALA A 30 0.519 -11.900 9.054 1.00 2.22 C ATOM 470 O ALA A 30 0.348 -10.671 8.999 1.00 13.32 O ATOM 471 CB ALA A 30 -1.546 -13.339 9.166 1.00 5.05 C ATOM 0 H ALA A 30 0.027 -14.903 8.148 1.00 74.31 H new ATOM 0 HA ALA A 30 -0.791 -12.290 7.422 1.00 11.12 H new ATOM 0 HB1 ALA A 30 -2.084 -12.479 9.565 1.00 5.05 H new ATOM 0 HB2 ALA A 30 -2.230 -13.955 8.582 1.00 5.05 H new ATOM 0 HB3 ALA A 30 -1.140 -13.927 9.989 1.00 5.05 H new ATOM 477 N GLU A 31 1.477 -12.493 9.787 1.00 34.13 N ATOM 478 CA GLU A 31 2.444 -11.760 10.616 1.00 65.11 C ATOM 479 C GLU A 31 3.376 -10.907 9.730 1.00 50.52 C ATOM 480 O GLU A 31 3.705 -9.758 10.074 1.00 2.23 O ATOM 481 CB GLU A 31 3.270 -12.755 11.474 1.00 33.42 C ATOM 482 CG GLU A 31 4.310 -12.103 12.412 1.00 74.43 C ATOM 483 CD GLU A 31 3.690 -11.228 13.519 1.00 71.04 C ATOM 484 OE1 GLU A 31 3.413 -10.036 13.280 1.00 63.53 O ATOM 485 OE2 GLU A 31 3.487 -11.730 14.647 1.00 43.42 O ATOM 0 H GLU A 31 1.601 -13.505 9.820 1.00 34.13 H new ATOM 0 HA GLU A 31 1.899 -11.091 11.283 1.00 65.11 H new ATOM 0 HB2 GLU A 31 2.583 -13.349 12.076 1.00 33.42 H new ATOM 0 HB3 GLU A 31 3.787 -13.444 10.806 1.00 33.42 H new ATOM 0 HG2 GLU A 31 4.909 -12.887 12.875 1.00 74.43 H new ATOM 0 HG3 GLU A 31 4.989 -11.492 11.817 1.00 74.43 H new ATOM 492 N GLU A 32 3.761 -11.488 8.575 1.00 24.51 N ATOM 493 CA GLU A 32 4.595 -10.815 7.569 1.00 4.32 C ATOM 494 C GLU A 32 3.883 -9.556 7.053 1.00 45.11 C ATOM 495 O GLU A 32 4.489 -8.494 6.980 1.00 32.12 O ATOM 496 CB GLU A 32 4.872 -11.745 6.371 1.00 4.10 C ATOM 497 CG GLU A 32 5.452 -13.134 6.723 1.00 51.20 C ATOM 498 CD GLU A 32 5.560 -14.062 5.498 1.00 53.34 C ATOM 499 OE1 GLU A 32 4.907 -13.780 4.463 1.00 33.14 O ATOM 500 OE2 GLU A 32 6.290 -15.082 5.551 1.00 4.21 O ATOM 0 H GLU A 32 3.499 -12.440 8.317 1.00 24.51 H new ATOM 0 HA GLU A 32 5.539 -10.548 8.044 1.00 4.32 H new ATOM 0 HB2 GLU A 32 3.941 -11.888 5.823 1.00 4.10 H new ATOM 0 HB3 GLU A 32 5.565 -11.242 5.696 1.00 4.10 H new ATOM 0 HG2 GLU A 32 6.440 -13.009 7.167 1.00 51.20 H new ATOM 0 HG3 GLU A 32 4.822 -13.606 7.477 1.00 51.20 H new ATOM 507 N ALA A 33 2.564 -9.704 6.768 1.00 2.51 N ATOM 508 CA ALA A 33 1.731 -8.650 6.154 1.00 61.14 C ATOM 509 C ALA A 33 1.819 -7.342 6.936 1.00 12.11 C ATOM 510 O ALA A 33 2.124 -6.303 6.366 1.00 65.43 O ATOM 511 CB ALA A 33 0.265 -9.097 6.074 1.00 53.24 C ATOM 0 H ALA A 33 2.050 -10.564 6.961 1.00 2.51 H new ATOM 0 HA ALA A 33 2.114 -8.480 5.148 1.00 61.14 H new ATOM 0 HB1 ALA A 33 -0.332 -8.307 5.619 1.00 53.24 H new ATOM 0 HB2 ALA A 33 0.193 -10.001 5.469 1.00 53.24 H new ATOM 0 HB3 ALA A 33 -0.108 -9.301 7.077 1.00 53.24 H new ATOM 517 N LYS A 34 1.629 -7.443 8.256 1.00 75.44 N ATOM 518 CA LYS A 34 1.641 -6.291 9.167 1.00 41.03 C ATOM 519 C LYS A 34 3.052 -5.646 9.267 1.00 1.23 C ATOM 520 O LYS A 34 3.168 -4.431 9.486 1.00 55.25 O ATOM 521 CB LYS A 34 1.100 -6.731 10.551 1.00 55.41 C ATOM 522 CG LYS A 34 1.081 -5.633 11.645 1.00 71.50 C ATOM 523 CD LYS A 34 0.381 -6.093 12.948 1.00 53.50 C ATOM 524 CE LYS A 34 0.942 -7.414 13.514 1.00 44.33 C ATOM 525 NZ LYS A 34 2.381 -7.321 13.867 1.00 32.51 N ATOM 0 H LYS A 34 1.461 -8.332 8.726 1.00 75.44 H new ATOM 0 HA LYS A 34 0.988 -5.516 8.767 1.00 41.03 H new ATOM 0 HB2 LYS A 34 0.085 -7.106 10.421 1.00 55.41 H new ATOM 0 HB3 LYS A 34 1.705 -7.564 10.909 1.00 55.41 H new ATOM 0 HG2 LYS A 34 2.105 -5.337 11.873 1.00 71.50 H new ATOM 0 HG3 LYS A 34 0.573 -4.750 11.258 1.00 71.50 H new ATOM 0 HD2 LYS A 34 0.483 -5.312 13.701 1.00 53.50 H new ATOM 0 HD3 LYS A 34 -0.685 -6.213 12.756 1.00 53.50 H new ATOM 0 HE2 LYS A 34 0.372 -7.696 14.400 1.00 44.33 H new ATOM 0 HE3 LYS A 34 0.803 -8.207 12.780 1.00 44.33 H new ATOM 0 HZ1 LYS A 34 2.880 -8.163 13.515 1.00 32.51 H new ATOM 0 HZ2 LYS A 34 2.791 -6.469 13.433 1.00 32.51 H new ATOM 0 HZ3 LYS A 34 2.482 -7.265 14.901 1.00 32.51 H new ATOM 539 N GLU A 35 4.109 -6.463 9.085 1.00 23.41 N ATOM 540 CA GLU A 35 5.507 -5.977 9.083 1.00 61.35 C ATOM 541 C GLU A 35 5.772 -5.122 7.824 1.00 35.40 C ATOM 542 O GLU A 35 6.269 -3.997 7.925 1.00 73.41 O ATOM 543 CB GLU A 35 6.499 -7.164 9.161 1.00 1.22 C ATOM 544 CG GLU A 35 7.954 -6.748 9.463 1.00 73.42 C ATOM 545 CD GLU A 35 8.953 -7.916 9.421 1.00 62.02 C ATOM 546 OE1 GLU A 35 8.856 -8.826 10.264 1.00 44.04 O ATOM 547 OE2 GLU A 35 9.836 -7.932 8.541 1.00 20.11 O ATOM 0 H GLU A 35 4.022 -7.468 8.937 1.00 23.41 H new ATOM 0 HA GLU A 35 5.660 -5.353 9.963 1.00 61.35 H new ATOM 0 HB2 GLU A 35 6.162 -7.855 9.933 1.00 1.22 H new ATOM 0 HB3 GLU A 35 6.476 -7.706 8.216 1.00 1.22 H new ATOM 0 HG2 GLU A 35 8.263 -5.991 8.742 1.00 73.42 H new ATOM 0 HG3 GLU A 35 7.993 -6.284 10.449 1.00 73.42 H new ATOM 554 N LEU A 36 5.395 -5.661 6.640 1.00 21.03 N ATOM 555 CA LEU A 36 5.481 -4.930 5.352 1.00 64.33 C ATOM 556 C LEU A 36 4.539 -3.717 5.338 1.00 4.33 C ATOM 557 O LEU A 36 4.829 -2.715 4.687 1.00 14.25 O ATOM 558 CB LEU A 36 5.181 -5.846 4.126 1.00 41.23 C ATOM 559 CG LEU A 36 6.287 -6.892 3.723 1.00 62.04 C ATOM 560 CD1 LEU A 36 7.715 -6.306 3.841 1.00 60.34 C ATOM 561 CD2 LEU A 36 6.152 -8.235 4.458 1.00 63.32 C ATOM 0 H LEU A 36 5.025 -6.607 6.550 1.00 21.03 H new ATOM 0 HA LEU A 36 6.511 -4.584 5.265 1.00 64.33 H new ATOM 0 HB2 LEU A 36 4.259 -6.390 4.328 1.00 41.23 H new ATOM 0 HB3 LEU A 36 4.991 -5.206 3.264 1.00 41.23 H new ATOM 0 HG LEU A 36 6.115 -7.112 2.669 1.00 62.04 H new ATOM 0 HD11 LEU A 36 8.444 -7.063 3.553 1.00 60.34 H new ATOM 0 HD12 LEU A 36 7.809 -5.442 3.183 1.00 60.34 H new ATOM 0 HD13 LEU A 36 7.898 -5.999 4.871 1.00 60.34 H new ATOM 0 HD21 LEU A 36 6.945 -8.909 4.133 1.00 63.32 H new ATOM 0 HD22 LEU A 36 6.232 -8.071 5.533 1.00 63.32 H new ATOM 0 HD23 LEU A 36 5.183 -8.679 4.230 1.00 63.32 H new ATOM 573 N LEU A 37 3.418 -3.844 6.059 1.00 3.51 N ATOM 574 CA LEU A 37 2.392 -2.795 6.180 1.00 44.31 C ATOM 575 C LEU A 37 2.984 -1.508 6.747 1.00 71.22 C ATOM 576 O LEU A 37 2.869 -0.445 6.134 1.00 41.42 O ATOM 577 CB LEU A 37 1.208 -3.333 7.052 1.00 2.32 C ATOM 578 CG LEU A 37 0.085 -2.326 7.539 1.00 10.52 C ATOM 579 CD1 LEU A 37 -1.305 -3.013 7.567 1.00 31.50 C ATOM 580 CD2 LEU A 37 0.413 -1.738 8.942 1.00 61.31 C ATOM 0 H LEU A 37 3.193 -4.690 6.583 1.00 3.51 H new ATOM 0 HA LEU A 37 2.008 -2.546 5.191 1.00 44.31 H new ATOM 0 HB2 LEU A 37 0.716 -4.123 6.485 1.00 2.32 H new ATOM 0 HB3 LEU A 37 1.639 -3.798 7.939 1.00 2.32 H new ATOM 0 HG LEU A 37 0.058 -1.506 6.822 1.00 10.52 H new ATOM 0 HD11 LEU A 37 -2.057 -2.300 7.905 1.00 31.50 H new ATOM 0 HD12 LEU A 37 -1.559 -3.361 6.566 1.00 31.50 H new ATOM 0 HD13 LEU A 37 -1.278 -3.862 8.250 1.00 31.50 H new ATOM 0 HD21 LEU A 37 -0.379 -1.052 9.243 1.00 61.31 H new ATOM 0 HD22 LEU A 37 0.487 -2.548 9.668 1.00 61.31 H new ATOM 0 HD23 LEU A 37 1.361 -1.202 8.899 1.00 61.31 H new ATOM 592 N LYS A 38 3.652 -1.637 7.903 1.00 24.01 N ATOM 593 CA LYS A 38 4.202 -0.492 8.646 1.00 53.40 C ATOM 594 C LYS A 38 5.474 0.065 7.971 1.00 52.01 C ATOM 595 O LYS A 38 5.752 1.263 8.083 1.00 4.44 O ATOM 596 CB LYS A 38 4.440 -0.890 10.129 1.00 52.40 C ATOM 597 CG LYS A 38 5.457 -2.031 10.365 1.00 4.23 C ATOM 598 CD LYS A 38 5.521 -2.496 11.841 1.00 63.34 C ATOM 599 CE LYS A 38 5.840 -1.359 12.832 1.00 2.25 C ATOM 600 NZ LYS A 38 7.142 -0.704 12.546 1.00 30.25 N ATOM 0 H LYS A 38 3.826 -2.537 8.349 1.00 24.01 H new ATOM 0 HA LYS A 38 3.475 0.320 8.631 1.00 53.40 H new ATOM 0 HB2 LYS A 38 4.780 -0.008 10.672 1.00 52.40 H new ATOM 0 HB3 LYS A 38 3.485 -1.184 10.564 1.00 52.40 H new ATOM 0 HG2 LYS A 38 5.193 -2.880 9.734 1.00 4.23 H new ATOM 0 HG3 LYS A 38 6.447 -1.697 10.053 1.00 4.23 H new ATOM 0 HD2 LYS A 38 4.567 -2.947 12.113 1.00 63.34 H new ATOM 0 HD3 LYS A 38 6.279 -3.273 11.936 1.00 63.34 H new ATOM 0 HE2 LYS A 38 5.046 -0.614 12.793 1.00 2.25 H new ATOM 0 HE3 LYS A 38 5.853 -1.758 13.846 1.00 2.25 H new ATOM 0 HZ1 LYS A 38 7.310 0.053 13.240 1.00 30.25 H new ATOM 0 HZ2 LYS A 38 7.906 -1.407 12.609 1.00 30.25 H new ATOM 0 HZ3 LYS A 38 7.124 -0.298 11.589 1.00 30.25 H new ATOM 614 N LYS A 39 6.225 -0.814 7.267 1.00 45.31 N ATOM 615 CA LYS A 39 7.438 -0.420 6.507 1.00 15.24 C ATOM 616 C LYS A 39 7.077 0.437 5.281 1.00 75.31 C ATOM 617 O LYS A 39 7.662 1.496 5.064 1.00 64.31 O ATOM 618 CB LYS A 39 8.250 -1.669 6.075 1.00 31.13 C ATOM 619 CG LYS A 39 8.937 -2.390 7.243 1.00 20.33 C ATOM 620 CD LYS A 39 9.672 -3.670 6.805 1.00 22.14 C ATOM 621 CE LYS A 39 10.403 -4.335 7.971 1.00 35.23 C ATOM 622 NZ LYS A 39 11.077 -5.594 7.566 1.00 32.10 N ATOM 0 H LYS A 39 6.011 -1.810 7.209 1.00 45.31 H new ATOM 0 HA LYS A 39 8.059 0.184 7.169 1.00 15.24 H new ATOM 0 HB2 LYS A 39 7.584 -2.368 5.569 1.00 31.13 H new ATOM 0 HB3 LYS A 39 9.006 -1.368 5.350 1.00 31.13 H new ATOM 0 HG2 LYS A 39 9.648 -1.712 7.715 1.00 20.33 H new ATOM 0 HG3 LYS A 39 8.191 -2.644 7.996 1.00 20.33 H new ATOM 0 HD2 LYS A 39 8.956 -4.372 6.378 1.00 22.14 H new ATOM 0 HD3 LYS A 39 10.387 -3.427 6.019 1.00 22.14 H new ATOM 0 HE2 LYS A 39 11.142 -3.644 8.376 1.00 35.23 H new ATOM 0 HE3 LYS A 39 9.692 -4.546 8.770 1.00 35.23 H new ATOM 0 HZ1 LYS A 39 10.564 -6.406 7.964 1.00 32.10 H new ATOM 0 HZ2 LYS A 39 11.086 -5.665 6.528 1.00 32.10 H new ATOM 0 HZ3 LYS A 39 12.054 -5.594 7.921 1.00 32.10 H new ATOM 636 N VAL A 40 6.108 -0.034 4.488 1.00 4.34 N ATOM 637 CA VAL A 40 5.624 0.694 3.300 1.00 44.15 C ATOM 638 C VAL A 40 4.914 1.990 3.719 1.00 2.51 C ATOM 639 O VAL A 40 5.053 3.018 3.058 1.00 55.43 O ATOM 640 CB VAL A 40 4.687 -0.223 2.419 1.00 41.21 C ATOM 641 CG1 VAL A 40 3.930 0.568 1.324 1.00 34.25 C ATOM 642 CG2 VAL A 40 5.515 -1.366 1.792 1.00 43.31 C ATOM 0 H VAL A 40 5.637 -0.925 4.646 1.00 4.34 H new ATOM 0 HA VAL A 40 6.482 0.966 2.686 1.00 44.15 H new ATOM 0 HB VAL A 40 3.926 -0.640 3.079 1.00 41.21 H new ATOM 0 HG11 VAL A 40 3.302 -0.114 0.751 1.00 34.25 H new ATOM 0 HG12 VAL A 40 3.306 1.330 1.791 1.00 34.25 H new ATOM 0 HG13 VAL A 40 4.648 1.046 0.658 1.00 34.25 H new ATOM 0 HG21 VAL A 40 4.865 -1.996 1.185 1.00 43.31 H new ATOM 0 HG22 VAL A 40 6.300 -0.945 1.164 1.00 43.31 H new ATOM 0 HG23 VAL A 40 5.965 -1.965 2.583 1.00 43.31 H new ATOM 652 N ALA A 41 4.201 1.929 4.857 1.00 15.40 N ATOM 653 CA ALA A 41 3.487 3.085 5.414 1.00 13.34 C ATOM 654 C ALA A 41 4.446 4.234 5.784 1.00 62.25 C ATOM 655 O ALA A 41 4.165 5.394 5.464 1.00 71.12 O ATOM 656 CB ALA A 41 2.644 2.662 6.620 1.00 22.42 C ATOM 0 H ALA A 41 4.105 1.079 5.413 1.00 15.40 H new ATOM 0 HA ALA A 41 2.821 3.465 4.639 1.00 13.34 H new ATOM 0 HB1 ALA A 41 2.121 3.530 7.021 1.00 22.42 H new ATOM 0 HB2 ALA A 41 1.917 1.912 6.310 1.00 22.42 H new ATOM 0 HB3 ALA A 41 3.293 2.242 7.389 1.00 22.42 H new ATOM 662 N GLU A 42 5.582 3.902 6.439 1.00 72.13 N ATOM 663 CA GLU A 42 6.572 4.914 6.865 1.00 31.25 C ATOM 664 C GLU A 42 7.396 5.437 5.668 1.00 3.14 C ATOM 665 O GLU A 42 7.560 6.650 5.521 1.00 24.04 O ATOM 666 CB GLU A 42 7.504 4.385 7.999 1.00 73.32 C ATOM 667 CG GLU A 42 8.376 3.161 7.642 1.00 30.35 C ATOM 668 CD GLU A 42 9.373 2.750 8.740 1.00 74.32 C ATOM 669 OE1 GLU A 42 8.940 2.431 9.858 1.00 45.13 O ATOM 670 OE2 GLU A 42 10.594 2.746 8.495 1.00 44.52 O ATOM 0 H GLU A 42 5.834 2.944 6.683 1.00 72.13 H new ATOM 0 HA GLU A 42 6.008 5.751 7.276 1.00 31.25 H new ATOM 0 HB2 GLU A 42 8.162 5.197 8.310 1.00 73.32 H new ATOM 0 HB3 GLU A 42 6.886 4.128 8.860 1.00 73.32 H new ATOM 0 HG2 GLU A 42 7.723 2.315 7.426 1.00 30.35 H new ATOM 0 HG3 GLU A 42 8.929 3.378 6.728 1.00 30.35 H new ATOM 677 N LYS A 43 7.868 4.516 4.793 1.00 34.44 N ATOM 678 CA LYS A 43 8.785 4.860 3.678 1.00 44.24 C ATOM 679 C LYS A 43 8.064 5.650 2.570 1.00 24.40 C ATOM 680 O LYS A 43 8.685 6.485 1.905 1.00 5.44 O ATOM 681 CB LYS A 43 9.475 3.592 3.095 1.00 24.31 C ATOM 682 CG LYS A 43 10.374 2.827 4.095 1.00 45.43 C ATOM 683 CD LYS A 43 11.518 3.690 4.684 1.00 1.42 C ATOM 684 CE LYS A 43 12.401 2.901 5.671 1.00 74.43 C ATOM 685 NZ LYS A 43 13.419 3.769 6.325 1.00 14.44 N ATOM 0 H LYS A 43 7.628 3.526 4.838 1.00 34.44 H new ATOM 0 HA LYS A 43 9.561 5.504 4.092 1.00 44.24 H new ATOM 0 HB2 LYS A 43 8.706 2.913 2.727 1.00 24.31 H new ATOM 0 HB3 LYS A 43 10.079 3.886 2.236 1.00 24.31 H new ATOM 0 HG2 LYS A 43 9.757 2.450 4.911 1.00 45.43 H new ATOM 0 HG3 LYS A 43 10.805 1.960 3.594 1.00 45.43 H new ATOM 0 HD2 LYS A 43 12.137 4.071 3.872 1.00 1.42 H new ATOM 0 HD3 LYS A 43 11.092 4.555 5.193 1.00 1.42 H new ATOM 0 HE2 LYS A 43 11.772 2.442 6.434 1.00 74.43 H new ATOM 0 HE3 LYS A 43 12.902 2.091 5.141 1.00 74.43 H new ATOM 0 HZ1 LYS A 43 13.991 3.199 6.981 1.00 14.44 H new ATOM 0 HZ2 LYS A 43 14.036 4.187 5.600 1.00 14.44 H new ATOM 0 HZ3 LYS A 43 12.941 4.528 6.852 1.00 14.44 H new ATOM 699 N ALA A 44 6.756 5.377 2.383 1.00 3.30 N ATOM 700 CA ALA A 44 5.898 6.162 1.471 1.00 13.14 C ATOM 701 C ALA A 44 5.676 7.559 2.052 1.00 45.25 C ATOM 702 O ALA A 44 5.867 8.560 1.357 1.00 21.02 O ATOM 703 CB ALA A 44 4.552 5.466 1.241 1.00 35.23 C ATOM 0 H ALA A 44 6.269 4.615 2.854 1.00 3.30 H new ATOM 0 HA ALA A 44 6.402 6.244 0.508 1.00 13.14 H new ATOM 0 HB1 ALA A 44 3.942 6.067 0.566 1.00 35.23 H new ATOM 0 HB2 ALA A 44 4.721 4.484 0.800 1.00 35.23 H new ATOM 0 HB3 ALA A 44 4.034 5.352 2.193 1.00 35.23 H new ATOM 709 N ALA A 45 5.318 7.599 3.359 1.00 14.42 N ATOM 710 CA ALA A 45 5.083 8.851 4.103 1.00 22.34 C ATOM 711 C ALA A 45 6.338 9.754 4.106 1.00 32.43 C ATOM 712 O ALA A 45 6.220 10.978 4.165 1.00 3.52 O ATOM 713 CB ALA A 45 4.626 8.556 5.537 1.00 53.33 C ATOM 0 H ALA A 45 5.185 6.760 3.923 1.00 14.42 H new ATOM 0 HA ALA A 45 4.287 9.392 3.591 1.00 22.34 H new ATOM 0 HB1 ALA A 45 4.459 9.494 6.066 1.00 53.33 H new ATOM 0 HB2 ALA A 45 3.699 7.983 5.513 1.00 53.33 H new ATOM 0 HB3 ALA A 45 5.395 7.981 6.053 1.00 53.33 H new ATOM 719 N ASP A 46 7.532 9.118 4.038 1.00 23.32 N ATOM 720 CA ASP A 46 8.832 9.815 3.928 1.00 63.43 C ATOM 721 C ASP A 46 8.952 10.576 2.596 1.00 40.34 C ATOM 722 O ASP A 46 9.467 11.689 2.572 1.00 23.40 O ATOM 723 CB ASP A 46 10.026 8.820 4.075 1.00 22.45 C ATOM 724 CG ASP A 46 10.451 8.582 5.535 1.00 51.12 C ATOM 725 OD1 ASP A 46 11.004 9.524 6.153 1.00 65.02 O ATOM 726 OD2 ASP A 46 10.274 7.463 6.064 1.00 12.53 O ATOM 0 H ASP A 46 7.619 8.102 4.058 1.00 23.32 H new ATOM 0 HA ASP A 46 8.874 10.535 4.745 1.00 63.43 H new ATOM 0 HB2 ASP A 46 9.751 7.866 3.625 1.00 22.45 H new ATOM 0 HB3 ASP A 46 10.879 9.203 3.515 1.00 22.45 H new ATOM 731 N LYS A 47 8.476 9.957 1.502 1.00 32.34 N ATOM 732 CA LYS A 47 8.521 10.557 0.141 1.00 13.22 C ATOM 733 C LYS A 47 7.596 11.793 0.061 1.00 3.23 C ATOM 734 O LYS A 47 7.892 12.789 -0.611 1.00 23.51 O ATOM 735 CB LYS A 47 8.090 9.511 -0.924 1.00 0.42 C ATOM 736 CG LYS A 47 8.814 8.153 -0.844 1.00 61.34 C ATOM 737 CD LYS A 47 10.356 8.261 -0.894 1.00 3.41 C ATOM 738 CE LYS A 47 11.035 6.885 -0.800 1.00 15.14 C ATOM 739 NZ LYS A 47 12.516 6.999 -0.712 1.00 2.22 N ATOM 0 H LYS A 47 8.050 9.031 1.527 1.00 32.34 H new ATOM 0 HA LYS A 47 9.546 10.870 -0.060 1.00 13.22 H new ATOM 0 HB2 LYS A 47 7.018 9.339 -0.827 1.00 0.42 H new ATOM 0 HB3 LYS A 47 8.257 9.935 -1.914 1.00 0.42 H new ATOM 0 HG2 LYS A 47 8.524 7.652 0.080 1.00 61.34 H new ATOM 0 HG3 LYS A 47 8.477 7.523 -1.667 1.00 61.34 H new ATOM 0 HD2 LYS A 47 10.655 8.750 -1.821 1.00 3.41 H new ATOM 0 HD3 LYS A 47 10.702 8.892 -0.075 1.00 3.41 H new ATOM 0 HE2 LYS A 47 10.660 6.355 0.075 1.00 15.14 H new ATOM 0 HE3 LYS A 47 10.768 6.289 -1.673 1.00 15.14 H new ATOM 0 HZ1 LYS A 47 12.934 6.049 -0.650 1.00 2.22 H new ATOM 0 HZ2 LYS A 47 12.878 7.482 -1.559 1.00 2.22 H new ATOM 0 HZ3 LYS A 47 12.772 7.546 0.135 1.00 2.22 H new ATOM 753 N ILE A 48 6.467 11.677 0.766 1.00 72.05 N ATOM 754 CA ILE A 48 5.426 12.715 0.881 1.00 41.41 C ATOM 755 C ILE A 48 5.901 13.862 1.796 1.00 63.10 C ATOM 756 O ILE A 48 5.551 15.030 1.591 1.00 32.43 O ATOM 757 CB ILE A 48 4.105 12.041 1.407 1.00 51.42 C ATOM 758 CG1 ILE A 48 3.744 10.847 0.461 1.00 40.55 C ATOM 759 CG2 ILE A 48 2.941 13.062 1.497 1.00 11.14 C ATOM 760 CD1 ILE A 48 2.889 9.759 1.043 1.00 71.40 C ATOM 0 H ILE A 48 6.240 10.832 1.291 1.00 72.05 H new ATOM 0 HA ILE A 48 5.226 13.161 -0.093 1.00 41.41 H new ATOM 0 HB ILE A 48 4.268 11.669 2.419 1.00 51.42 H new ATOM 0 HG12 ILE A 48 3.234 11.249 -0.414 1.00 40.55 H new ATOM 0 HG13 ILE A 48 4.673 10.398 0.110 1.00 40.55 H new ATOM 0 HG21 ILE A 48 2.045 12.561 1.864 1.00 11.14 H new ATOM 0 HG22 ILE A 48 3.214 13.865 2.182 1.00 11.14 H new ATOM 0 HG23 ILE A 48 2.745 13.478 0.509 1.00 11.14 H new ATOM 0 HD11 ILE A 48 2.711 8.993 0.288 1.00 71.40 H new ATOM 0 HD12 ILE A 48 3.398 9.315 1.898 1.00 71.40 H new ATOM 0 HD13 ILE A 48 1.936 10.178 1.366 1.00 71.40 H new ATOM 772 N LYS A 49 6.716 13.493 2.798 1.00 10.12 N ATOM 773 CA LYS A 49 7.404 14.435 3.706 1.00 55.41 C ATOM 774 C LYS A 49 8.408 15.301 2.912 1.00 14.34 C ATOM 775 O LYS A 49 8.600 16.485 3.208 1.00 64.42 O ATOM 776 CB LYS A 49 8.137 13.616 4.803 1.00 11.54 C ATOM 777 CG LYS A 49 8.830 14.424 5.924 1.00 62.13 C ATOM 778 CD LYS A 49 9.691 13.520 6.848 1.00 60.15 C ATOM 779 CE LYS A 49 8.899 12.342 7.461 1.00 12.31 C ATOM 780 NZ LYS A 49 9.781 11.394 8.196 1.00 44.23 N ATOM 0 H LYS A 49 6.921 12.516 3.006 1.00 10.12 H new ATOM 0 HA LYS A 49 6.679 15.103 4.172 1.00 55.41 H new ATOM 0 HB2 LYS A 49 7.415 12.943 5.265 1.00 11.54 H new ATOM 0 HB3 LYS A 49 8.888 12.993 4.318 1.00 11.54 H new ATOM 0 HG2 LYS A 49 9.462 15.193 5.479 1.00 62.13 H new ATOM 0 HG3 LYS A 49 8.075 14.937 6.520 1.00 62.13 H new ATOM 0 HD2 LYS A 49 10.532 13.126 6.278 1.00 60.15 H new ATOM 0 HD3 LYS A 49 10.108 14.126 7.652 1.00 60.15 H new ATOM 0 HE2 LYS A 49 8.140 12.731 8.140 1.00 12.31 H new ATOM 0 HE3 LYS A 49 8.374 11.808 6.669 1.00 12.31 H new ATOM 0 HZ1 LYS A 49 9.215 10.854 8.882 1.00 44.23 H new ATOM 0 HZ2 LYS A 49 10.225 10.739 7.521 1.00 44.23 H new ATOM 0 HZ3 LYS A 49 10.520 11.926 8.699 1.00 44.23 H new ATOM 794 N LYS A 50 9.024 14.684 1.883 1.00 21.12 N ATOM 795 CA LYS A 50 10.002 15.349 1.001 1.00 4.14 C ATOM 796 C LYS A 50 9.299 16.322 0.037 1.00 3.35 C ATOM 797 O LYS A 50 9.650 17.504 -0.041 1.00 54.54 O ATOM 798 CB LYS A 50 10.791 14.281 0.189 1.00 5.30 C ATOM 799 CG LYS A 50 11.666 13.339 1.047 1.00 12.02 C ATOM 800 CD LYS A 50 12.356 12.226 0.221 1.00 35.41 C ATOM 801 CE LYS A 50 13.197 12.774 -0.942 1.00 61.30 C ATOM 802 NZ LYS A 50 14.212 13.768 -0.495 1.00 35.22 N ATOM 0 H LYS A 50 8.856 13.708 1.641 1.00 21.12 H new ATOM 0 HA LYS A 50 10.693 15.919 1.622 1.00 4.14 H new ATOM 0 HB2 LYS A 50 10.082 13.679 -0.380 1.00 5.30 H new ATOM 0 HB3 LYS A 50 11.429 14.791 -0.533 1.00 5.30 H new ATOM 0 HG2 LYS A 50 12.427 13.927 1.559 1.00 12.02 H new ATOM 0 HG3 LYS A 50 11.046 12.880 1.817 1.00 12.02 H new ATOM 0 HD2 LYS A 50 12.996 11.637 0.878 1.00 35.41 H new ATOM 0 HD3 LYS A 50 11.597 11.551 -0.174 1.00 35.41 H new ATOM 0 HE2 LYS A 50 13.700 11.947 -1.443 1.00 61.30 H new ATOM 0 HE3 LYS A 50 12.538 13.238 -1.675 1.00 61.30 H new ATOM 0 HZ1 LYS A 50 14.818 14.030 -1.298 1.00 35.22 H new ATOM 0 HZ2 LYS A 50 13.731 14.616 -0.133 1.00 35.22 H new ATOM 0 HZ3 LYS A 50 14.796 13.353 0.259 1.00 35.22 H new ATOM 816 N GLN A 51 8.279 15.809 -0.668 1.00 61.40 N ATOM 817 CA GLN A 51 7.576 16.546 -1.742 1.00 12.25 C ATOM 818 C GLN A 51 6.069 16.617 -1.434 1.00 32.41 C ATOM 819 O GLN A 51 5.537 17.687 -1.106 1.00 2.20 O ATOM 820 CB GLN A 51 7.817 15.854 -3.128 1.00 42.03 C ATOM 821 CG GLN A 51 9.292 15.774 -3.586 1.00 61.45 C ATOM 822 CD GLN A 51 9.944 17.147 -3.787 1.00 51.42 C ATOM 823 OE1 GLN A 51 10.554 17.706 -2.874 1.00 55.20 O ATOM 824 NE2 GLN A 51 9.814 17.706 -4.981 1.00 72.03 N ATOM 0 H GLN A 51 7.914 14.869 -0.513 1.00 61.40 H new ATOM 0 HA GLN A 51 7.973 17.560 -1.789 1.00 12.25 H new ATOM 0 HB2 GLN A 51 7.413 14.842 -3.084 1.00 42.03 H new ATOM 0 HB3 GLN A 51 7.248 16.392 -3.886 1.00 42.03 H new ATOM 0 HG2 GLN A 51 9.864 15.213 -2.847 1.00 61.45 H new ATOM 0 HG3 GLN A 51 9.344 15.215 -4.520 1.00 61.45 H new ATOM 0 HE21 GLN A 51 9.304 17.220 -5.719 1.00 72.03 H new ATOM 0 HE22 GLN A 51 10.224 18.622 -5.163 1.00 72.03 H new ATOM 833 N GLY A 52 5.406 15.450 -1.514 1.00 20.41 N ATOM 834 CA GLY A 52 3.953 15.353 -1.382 1.00 41.13 C ATOM 835 C GLY A 52 3.369 14.505 -2.500 1.00 2.41 C ATOM 836 O GLY A 52 2.887 15.051 -3.502 1.00 35.53 O ATOM 0 H GLY A 52 5.866 14.554 -1.672 1.00 20.41 H new ATOM 0 HA2 GLY A 52 3.699 14.916 -0.416 1.00 41.13 H new ATOM 0 HA3 GLY A 52 3.513 16.350 -1.407 1.00 41.13 H new ATOM 840 N CYS A 53 3.456 13.163 -2.345 1.00 64.33 N ATOM 841 CA CYS A 53 2.941 12.202 -3.337 1.00 55.20 C ATOM 842 C CYS A 53 1.408 12.293 -3.410 1.00 31.15 C ATOM 843 O CYS A 53 0.701 11.767 -2.543 1.00 30.04 O ATOM 844 CB CYS A 53 3.377 10.760 -2.991 1.00 32.11 C ATOM 845 SG CYS A 53 5.149 10.597 -2.682 1.00 23.53 S ATOM 0 H CYS A 53 3.884 12.722 -1.531 1.00 64.33 H new ATOM 0 HA CYS A 53 3.360 12.456 -4.311 1.00 55.20 H new ATOM 0 HB2 CYS A 53 2.830 10.425 -2.109 1.00 32.11 H new ATOM 0 HB3 CYS A 53 3.097 10.098 -3.810 1.00 32.11 H new ATOM 0 HG CYS A 53 5.487 11.357 -1.683 1.00 23.53 H new ATOM 851 N LYS A 54 0.926 13.010 -4.431 1.00 2.14 N ATOM 852 CA LYS A 54 -0.512 13.206 -4.699 1.00 1.02 C ATOM 853 C LYS A 54 -1.200 11.906 -5.143 1.00 54.54 C ATOM 854 O LYS A 54 -2.431 11.797 -5.092 1.00 1.31 O ATOM 855 CB LYS A 54 -0.685 14.309 -5.770 1.00 73.15 C ATOM 856 CG LYS A 54 0.064 14.039 -7.101 1.00 32.32 C ATOM 857 CD LYS A 54 0.011 15.220 -8.105 1.00 32.24 C ATOM 858 CE LYS A 54 0.775 16.482 -7.639 1.00 62.11 C ATOM 859 NZ LYS A 54 0.080 17.226 -6.544 1.00 41.15 N ATOM 0 H LYS A 54 1.529 13.479 -5.107 1.00 2.14 H new ATOM 0 HA LYS A 54 -0.993 13.515 -3.771 1.00 1.02 H new ATOM 0 HB2 LYS A 54 -1.747 14.426 -5.983 1.00 73.15 H new ATOM 0 HB3 LYS A 54 -0.336 15.256 -5.357 1.00 73.15 H new ATOM 0 HG2 LYS A 54 1.106 13.810 -6.880 1.00 32.32 H new ATOM 0 HG3 LYS A 54 -0.363 13.154 -7.573 1.00 32.32 H new ATOM 0 HD2 LYS A 54 0.423 14.891 -9.059 1.00 32.24 H new ATOM 0 HD3 LYS A 54 -1.031 15.485 -8.283 1.00 32.24 H new ATOM 0 HE2 LYS A 54 1.768 16.191 -7.297 1.00 62.11 H new ATOM 0 HE3 LYS A 54 0.914 17.149 -8.490 1.00 62.11 H new ATOM 0 HZ1 LYS A 54 0.033 18.236 -6.786 1.00 41.15 H new ATOM 0 HZ2 LYS A 54 -0.884 16.853 -6.428 1.00 41.15 H new ATOM 0 HZ3 LYS A 54 0.607 17.107 -5.655 1.00 41.15 H new ATOM 873 N ARG A 55 -0.391 10.926 -5.569 1.00 14.35 N ATOM 874 CA ARG A 55 -0.882 9.654 -6.090 1.00 54.32 C ATOM 875 C ARG A 55 0.124 8.544 -5.755 1.00 32.01 C ATOM 876 O ARG A 55 1.294 8.619 -6.119 1.00 32.03 O ATOM 877 CB ARG A 55 -1.087 9.769 -7.625 1.00 2.13 C ATOM 878 CG ARG A 55 -1.765 8.549 -8.294 1.00 25.54 C ATOM 879 CD ARG A 55 -1.921 8.731 -9.818 1.00 20.12 C ATOM 880 NE ARG A 55 -2.741 7.666 -10.434 1.00 21.22 N ATOM 881 CZ ARG A 55 -3.469 7.802 -11.562 1.00 2.52 C ATOM 882 NH1 ARG A 55 -3.499 8.955 -12.223 1.00 43.44 N ATOM 883 NH2 ARG A 55 -4.163 6.774 -12.023 1.00 14.30 N ATOM 0 H ARG A 55 0.626 10.999 -5.560 1.00 14.35 H new ATOM 0 HA ARG A 55 -1.839 9.407 -5.630 1.00 54.32 H new ATOM 0 HB2 ARG A 55 -1.688 10.655 -7.830 1.00 2.13 H new ATOM 0 HB3 ARG A 55 -0.116 9.927 -8.094 1.00 2.13 H new ATOM 0 HG2 ARG A 55 -1.176 7.654 -8.095 1.00 25.54 H new ATOM 0 HG3 ARG A 55 -2.746 8.390 -7.847 1.00 25.54 H new ATOM 0 HD2 ARG A 55 -2.378 9.700 -10.020 1.00 20.12 H new ATOM 0 HD3 ARG A 55 -0.935 8.740 -10.282 1.00 20.12 H new ATOM 0 HE ARG A 55 -2.758 6.758 -9.970 1.00 21.22 H new ATOM 0 HH11 ARG A 55 -2.966 9.754 -11.879 1.00 43.44 H new ATOM 0 HH12 ARG A 55 -4.055 9.041 -13.074 1.00 43.44 H new ATOM 0 HH21 ARG A 55 -4.146 5.883 -11.526 1.00 14.30 H new ATOM 0 HH22 ARG A 55 -4.715 6.872 -12.875 1.00 14.30 H new ATOM 897 N VAL A 56 -0.342 7.546 -5.022 1.00 4.14 N ATOM 898 CA VAL A 56 0.388 6.301 -4.763 1.00 40.24 C ATOM 899 C VAL A 56 -0.343 5.193 -5.525 1.00 50.44 C ATOM 900 O VAL A 56 -1.556 5.261 -5.698 1.00 61.41 O ATOM 901 CB VAL A 56 0.441 5.984 -3.213 1.00 72.12 C ATOM 902 CG1 VAL A 56 1.031 4.583 -2.909 1.00 1.34 C ATOM 903 CG2 VAL A 56 1.228 7.083 -2.459 1.00 3.00 C ATOM 0 H VAL A 56 -1.259 7.573 -4.577 1.00 4.14 H new ATOM 0 HA VAL A 56 1.422 6.383 -5.097 1.00 40.24 H new ATOM 0 HB VAL A 56 -0.589 5.976 -2.857 1.00 72.12 H new ATOM 0 HG11 VAL A 56 1.043 4.419 -1.831 1.00 1.34 H new ATOM 0 HG12 VAL A 56 0.417 3.819 -3.385 1.00 1.34 H new ATOM 0 HG13 VAL A 56 2.048 4.525 -3.296 1.00 1.34 H new ATOM 0 HG21 VAL A 56 1.253 6.847 -1.395 1.00 3.00 H new ATOM 0 HG22 VAL A 56 2.246 7.131 -2.845 1.00 3.00 H new ATOM 0 HG23 VAL A 56 0.739 8.046 -2.606 1.00 3.00 H new ATOM 913 N LYS A 57 0.400 4.218 -6.025 1.00 52.13 N ATOM 914 CA LYS A 57 -0.156 3.072 -6.751 1.00 4.45 C ATOM 915 C LYS A 57 0.275 1.786 -6.048 1.00 51.02 C ATOM 916 O LYS A 57 1.456 1.476 -5.995 1.00 40.44 O ATOM 917 CB LYS A 57 0.365 3.070 -8.210 1.00 2.11 C ATOM 918 CG LYS A 57 -0.033 4.305 -9.047 1.00 12.54 C ATOM 919 CD LYS A 57 0.569 4.262 -10.467 1.00 71.54 C ATOM 920 CE LYS A 57 0.139 3.018 -11.271 1.00 22.51 C ATOM 921 NZ LYS A 57 -1.342 2.920 -11.416 1.00 11.01 N ATOM 0 H LYS A 57 1.416 4.194 -5.941 1.00 52.13 H new ATOM 0 HA LYS A 57 -1.244 3.139 -6.766 1.00 4.45 H new ATOM 0 HB2 LYS A 57 1.452 2.998 -8.191 1.00 2.11 H new ATOM 0 HB3 LYS A 57 -0.005 2.176 -8.711 1.00 2.11 H new ATOM 0 HG2 LYS A 57 -1.119 4.361 -9.116 1.00 12.54 H new ATOM 0 HG3 LYS A 57 0.301 5.210 -8.539 1.00 12.54 H new ATOM 0 HD2 LYS A 57 0.269 5.159 -11.009 1.00 71.54 H new ATOM 0 HD3 LYS A 57 1.656 4.282 -10.395 1.00 71.54 H new ATOM 0 HE2 LYS A 57 0.597 3.051 -12.260 1.00 22.51 H new ATOM 0 HE3 LYS A 57 0.513 2.122 -10.776 1.00 22.51 H new ATOM 0 HZ1 LYS A 57 -1.671 2.017 -11.018 1.00 11.01 H new ATOM 0 HZ2 LYS A 57 -1.793 3.707 -10.908 1.00 11.01 H new ATOM 0 HZ3 LYS A 57 -1.596 2.967 -12.423 1.00 11.01 H new ATOM 935 N ILE A 58 -0.680 1.059 -5.488 1.00 52.44 N ATOM 936 CA ILE A 58 -0.434 -0.258 -4.891 1.00 64.11 C ATOM 937 C ILE A 58 -0.937 -1.295 -5.890 1.00 53.25 C ATOM 938 O ILE A 58 -2.124 -1.368 -6.130 1.00 24.42 O ATOM 939 CB ILE A 58 -1.204 -0.386 -3.520 1.00 33.11 C ATOM 940 CG1 ILE A 58 -0.699 0.702 -2.515 1.00 35.22 C ATOM 941 CG2 ILE A 58 -1.109 -1.816 -2.922 1.00 13.32 C ATOM 942 CD1 ILE A 58 -1.556 0.870 -1.276 1.00 11.13 C ATOM 0 H ILE A 58 -1.653 1.361 -5.431 1.00 52.44 H new ATOM 0 HA ILE A 58 0.626 -0.405 -4.683 1.00 64.11 H new ATOM 0 HB ILE A 58 -2.263 -0.211 -3.712 1.00 33.11 H new ATOM 0 HG12 ILE A 58 0.315 0.449 -2.206 1.00 35.22 H new ATOM 0 HG13 ILE A 58 -0.644 1.659 -3.034 1.00 35.22 H new ATOM 0 HG21 ILE A 58 -1.655 -1.853 -1.979 1.00 13.32 H new ATOM 0 HG22 ILE A 58 -1.542 -2.532 -3.620 1.00 13.32 H new ATOM 0 HG23 ILE A 58 -0.063 -2.068 -2.746 1.00 13.32 H new ATOM 0 HD11 ILE A 58 -1.128 1.645 -0.640 1.00 11.13 H new ATOM 0 HD12 ILE A 58 -2.566 1.158 -1.568 1.00 11.13 H new ATOM 0 HD13 ILE A 58 -1.591 -0.071 -0.728 1.00 11.13 H new ATOM 954 N ARG A 59 -0.032 -2.054 -6.488 1.00 33.03 N ATOM 955 CA ARG A 59 -0.376 -3.152 -7.410 1.00 20.13 C ATOM 956 C ARG A 59 0.012 -4.469 -6.742 1.00 62.10 C ATOM 957 O ARG A 59 0.992 -4.521 -5.989 1.00 30.53 O ATOM 958 CB ARG A 59 0.344 -2.966 -8.780 1.00 10.45 C ATOM 959 CG ARG A 59 0.206 -4.170 -9.746 1.00 74.44 C ATOM 960 CD ARG A 59 0.834 -3.934 -11.130 1.00 40.33 C ATOM 961 NE ARG A 59 0.989 -5.194 -11.887 1.00 21.25 N ATOM 962 CZ ARG A 59 0.148 -5.675 -12.817 1.00 3.51 C ATOM 963 NH1 ARG A 59 -0.970 -5.027 -13.151 1.00 62.13 N ATOM 964 NH2 ARG A 59 0.445 -6.819 -13.412 1.00 22.53 N ATOM 0 H ARG A 59 0.972 -1.933 -6.353 1.00 33.03 H new ATOM 0 HA ARG A 59 -1.446 -3.154 -7.617 1.00 20.13 H new ATOM 0 HB2 ARG A 59 -0.055 -2.077 -9.268 1.00 10.45 H new ATOM 0 HB3 ARG A 59 1.403 -2.782 -8.598 1.00 10.45 H new ATOM 0 HG2 ARG A 59 0.672 -5.044 -9.291 1.00 74.44 H new ATOM 0 HG3 ARG A 59 -0.851 -4.402 -9.873 1.00 74.44 H new ATOM 0 HD2 ARG A 59 0.211 -3.243 -11.698 1.00 40.33 H new ATOM 0 HD3 ARG A 59 1.808 -3.460 -11.011 1.00 40.33 H new ATOM 0 HE ARG A 59 1.817 -5.754 -11.683 1.00 21.25 H new ATOM 0 HH11 ARG A 59 -1.203 -4.144 -12.696 1.00 62.13 H new ATOM 0 HH12 ARG A 59 -1.591 -5.415 -13.861 1.00 62.13 H new ATOM 0 HH21 ARG A 59 1.299 -7.318 -13.161 1.00 22.53 H new ATOM 0 HH22 ARG A 59 -0.180 -7.202 -14.121 1.00 22.53 H new ATOM 978 N PHE A 60 -0.762 -5.524 -7.003 1.00 1.34 N ATOM 979 CA PHE A 60 -0.581 -6.811 -6.344 1.00 33.42 C ATOM 980 C PHE A 60 -1.190 -7.938 -7.193 1.00 72.43 C ATOM 981 O PHE A 60 -2.274 -7.778 -7.757 1.00 3.24 O ATOM 982 CB PHE A 60 -1.235 -6.736 -4.936 1.00 73.45 C ATOM 983 CG PHE A 60 -1.244 -8.058 -4.186 1.00 13.33 C ATOM 984 CD1 PHE A 60 -0.071 -8.572 -3.646 1.00 33.55 C ATOM 985 CD2 PHE A 60 -2.413 -8.803 -4.057 1.00 63.22 C ATOM 986 CE1 PHE A 60 -0.064 -9.786 -2.995 1.00 23.23 C ATOM 987 CE2 PHE A 60 -2.403 -10.015 -3.412 1.00 60.15 C ATOM 988 CZ PHE A 60 -1.229 -10.508 -2.879 1.00 74.03 C ATOM 0 H PHE A 60 -1.529 -5.507 -7.676 1.00 1.34 H new ATOM 0 HA PHE A 60 0.480 -7.034 -6.233 1.00 33.42 H new ATOM 0 HB2 PHE A 60 -0.703 -5.995 -4.339 1.00 73.45 H new ATOM 0 HB3 PHE A 60 -2.261 -6.383 -5.042 1.00 73.45 H new ATOM 0 HD1 PHE A 60 0.848 -8.012 -3.738 1.00 33.55 H new ATOM 0 HD2 PHE A 60 -3.337 -8.424 -4.468 1.00 63.22 H new ATOM 0 HE1 PHE A 60 0.855 -10.170 -2.576 1.00 23.23 H new ATOM 0 HE2 PHE A 60 -3.316 -10.584 -3.321 1.00 60.15 H new ATOM 0 HZ PHE A 60 -1.225 -11.461 -2.371 1.00 74.03 H new ATOM 998 N GLU A 61 -0.470 -9.074 -7.267 1.00 61.24 N ATOM 999 CA GLU A 61 -0.947 -10.309 -7.903 1.00 65.01 C ATOM 1000 C GLU A 61 -2.009 -10.969 -7.018 1.00 21.13 C ATOM 1001 O GLU A 61 -1.678 -11.575 -5.994 1.00 2.15 O ATOM 1002 CB GLU A 61 0.251 -11.287 -8.173 1.00 54.14 C ATOM 1003 CG GLU A 61 0.763 -11.302 -9.629 1.00 14.51 C ATOM 1004 CD GLU A 61 -0.201 -12.019 -10.594 1.00 42.12 C ATOM 1005 OE1 GLU A 61 -1.133 -11.380 -11.120 1.00 1.44 O ATOM 1006 OE2 GLU A 61 -0.034 -13.238 -10.828 1.00 63.22 O ATOM 0 H GLU A 61 0.470 -9.157 -6.881 1.00 61.24 H new ATOM 0 HA GLU A 61 -1.399 -10.065 -8.864 1.00 65.01 H new ATOM 0 HB2 GLU A 61 1.077 -11.016 -7.516 1.00 54.14 H new ATOM 0 HB3 GLU A 61 -0.055 -12.297 -7.901 1.00 54.14 H new ATOM 0 HG2 GLU A 61 0.912 -10.277 -9.967 1.00 14.51 H new ATOM 0 HG3 GLU A 61 1.735 -11.794 -9.662 1.00 14.51 H new ATOM 1013 N LYS A 62 -3.277 -10.854 -7.432 1.00 72.24 N ATOM 1014 CA LYS A 62 -4.440 -11.382 -6.682 1.00 33.24 C ATOM 1015 C LYS A 62 -4.626 -12.896 -7.007 1.00 21.43 C ATOM 1016 O LYS A 62 -5.753 -13.401 -7.056 1.00 42.12 O ATOM 1017 CB LYS A 62 -5.725 -10.551 -7.067 1.00 73.10 C ATOM 1018 CG LYS A 62 -6.729 -10.177 -5.929 1.00 43.53 C ATOM 1019 CD LYS A 62 -6.926 -11.248 -4.819 1.00 21.35 C ATOM 1020 CE LYS A 62 -6.111 -10.944 -3.544 1.00 33.02 C ATOM 1021 NZ LYS A 62 -6.497 -9.656 -2.901 1.00 43.21 N ATOM 0 H LYS A 62 -3.534 -10.389 -8.303 1.00 72.24 H new ATOM 0 HA LYS A 62 -4.274 -11.284 -5.609 1.00 33.24 H new ATOM 0 HB2 LYS A 62 -5.394 -9.625 -7.537 1.00 73.10 H new ATOM 0 HB3 LYS A 62 -6.272 -11.115 -7.822 1.00 73.10 H new ATOM 0 HG2 LYS A 62 -6.389 -9.254 -5.460 1.00 43.53 H new ATOM 0 HG3 LYS A 62 -7.699 -9.967 -6.381 1.00 43.53 H new ATOM 0 HD2 LYS A 62 -7.984 -11.309 -4.563 1.00 21.35 H new ATOM 0 HD3 LYS A 62 -6.635 -12.224 -5.207 1.00 21.35 H new ATOM 0 HE2 LYS A 62 -6.248 -11.756 -2.830 1.00 33.02 H new ATOM 0 HE3 LYS A 62 -5.051 -10.915 -3.795 1.00 33.02 H new ATOM 0 HZ1 LYS A 62 -5.661 -9.043 -2.823 1.00 43.21 H new ATOM 0 HZ2 LYS A 62 -7.221 -9.183 -3.479 1.00 43.21 H new ATOM 0 HZ3 LYS A 62 -6.879 -9.843 -1.952 1.00 43.21 H new ATOM 1035 N LYS A 63 -3.510 -13.622 -7.132 1.00 12.52 N ATOM 1036 CA LYS A 63 -3.467 -14.967 -7.711 1.00 22.40 C ATOM 1037 C LYS A 63 -2.485 -15.844 -6.920 1.00 3.44 C ATOM 1038 O LYS A 63 -1.484 -15.339 -6.392 1.00 32.10 O ATOM 1039 CB LYS A 63 -3.023 -14.854 -9.187 1.00 61.13 C ATOM 1040 CG LYS A 63 -3.023 -16.186 -9.979 1.00 52.32 C ATOM 1041 CD LYS A 63 -2.305 -16.105 -11.349 1.00 61.32 C ATOM 1042 CE LYS A 63 -2.954 -15.137 -12.360 1.00 72.21 C ATOM 1043 NZ LYS A 63 -2.712 -13.696 -12.052 1.00 54.42 N ATOM 0 H LYS A 63 -2.596 -13.285 -6.828 1.00 12.52 H new ATOM 0 HA LYS A 63 -4.453 -15.429 -7.662 1.00 22.40 H new ATOM 0 HB2 LYS A 63 -3.680 -14.148 -9.695 1.00 61.13 H new ATOM 0 HB3 LYS A 63 -2.018 -14.432 -9.216 1.00 61.13 H new ATOM 0 HG2 LYS A 63 -2.544 -16.956 -9.374 1.00 52.32 H new ATOM 0 HG3 LYS A 63 -4.054 -16.502 -10.139 1.00 52.32 H new ATOM 0 HD2 LYS A 63 -1.272 -15.799 -11.185 1.00 61.32 H new ATOM 0 HD3 LYS A 63 -2.276 -17.102 -11.788 1.00 61.32 H new ATOM 0 HE2 LYS A 63 -2.570 -15.356 -13.357 1.00 72.21 H new ATOM 0 HE3 LYS A 63 -4.028 -15.319 -12.385 1.00 72.21 H new ATOM 0 HZ1 LYS A 63 -2.447 -13.194 -12.924 1.00 54.42 H new ATOM 0 HZ2 LYS A 63 -3.578 -13.275 -11.660 1.00 54.42 H new ATOM 0 HZ3 LYS A 63 -1.942 -13.614 -11.358 1.00 54.42 H new ATOM 1057 N GLY A 64 -2.783 -17.155 -6.855 1.00 23.41 N ATOM 1058 CA GLY A 64 -1.920 -18.129 -6.178 1.00 63.44 C ATOM 1059 C GLY A 64 -2.094 -18.132 -4.671 1.00 32.45 C ATOM 1060 O GLY A 64 -1.231 -18.639 -3.943 1.00 45.32 O ATOM 0 H GLY A 64 -3.622 -17.562 -7.268 1.00 23.41 H new ATOM 0 HA2 GLY A 64 -2.134 -19.125 -6.564 1.00 63.44 H new ATOM 0 HA3 GLY A 64 -0.879 -17.911 -6.417 1.00 63.44 H new ATOM 1064 N LEU A 65 -3.216 -17.559 -4.201 1.00 13.34 N ATOM 1065 CA LEU A 65 -3.512 -17.396 -2.768 1.00 43.24 C ATOM 1066 C LEU A 65 -4.806 -18.118 -2.376 1.00 42.22 C ATOM 1067 O LEU A 65 -5.745 -18.217 -3.172 1.00 4.33 O ATOM 1068 CB LEU A 65 -3.558 -15.872 -2.392 1.00 63.34 C ATOM 1069 CG LEU A 65 -3.949 -14.853 -3.523 1.00 4.54 C ATOM 1070 CD1 LEU A 65 -5.401 -15.025 -4.015 1.00 15.31 C ATOM 1071 CD2 LEU A 65 -3.681 -13.406 -3.070 1.00 74.41 C ATOM 0 H LEU A 65 -3.948 -17.193 -4.810 1.00 13.34 H new ATOM 0 HA LEU A 65 -2.708 -17.861 -2.197 1.00 43.24 H new ATOM 0 HB2 LEU A 65 -4.265 -15.750 -1.571 1.00 63.34 H new ATOM 0 HB3 LEU A 65 -2.576 -15.590 -2.011 1.00 63.34 H new ATOM 0 HG LEU A 65 -3.311 -15.075 -4.378 1.00 4.54 H new ATOM 0 HD11 LEU A 65 -5.610 -14.293 -4.795 1.00 15.31 H new ATOM 0 HD12 LEU A 65 -5.533 -16.030 -4.416 1.00 15.31 H new ATOM 0 HD13 LEU A 65 -6.088 -14.874 -3.182 1.00 15.31 H new ATOM 0 HD21 LEU A 65 -3.959 -12.718 -3.868 1.00 74.41 H new ATOM 0 HD22 LEU A 65 -4.272 -13.188 -2.181 1.00 74.41 H new ATOM 0 HD23 LEU A 65 -2.622 -13.287 -2.840 1.00 74.41 H new ATOM 1083 N ASP A 66 -4.826 -18.600 -1.124 1.00 61.00 N ATOM 1084 CA ASP A 66 -6.008 -19.216 -0.481 1.00 53.01 C ATOM 1085 C ASP A 66 -7.095 -18.139 -0.240 1.00 25.03 C ATOM 1086 O ASP A 66 -6.809 -16.950 -0.361 1.00 70.34 O ATOM 1087 CB ASP A 66 -5.551 -19.878 0.859 1.00 24.21 C ATOM 1088 CG ASP A 66 -6.677 -20.586 1.645 1.00 3.31 C ATOM 1089 OD1 ASP A 66 -7.148 -21.659 1.202 1.00 2.44 O ATOM 1090 OD2 ASP A 66 -7.107 -20.062 2.698 1.00 34.34 O ATOM 0 H ASP A 66 -4.008 -18.574 -0.515 1.00 61.00 H new ATOM 0 HA ASP A 66 -6.441 -19.982 -1.125 1.00 53.01 H new ATOM 0 HB2 ASP A 66 -4.767 -20.603 0.642 1.00 24.21 H new ATOM 0 HB3 ASP A 66 -5.109 -19.111 1.495 1.00 24.21 H new ATOM 1095 N ASP A 67 -8.327 -18.570 0.104 1.00 71.14 N ATOM 1096 CA ASP A 67 -9.456 -17.662 0.436 1.00 64.22 C ATOM 1097 C ASP A 67 -9.089 -16.691 1.582 1.00 62.42 C ATOM 1098 O ASP A 67 -9.403 -15.496 1.521 1.00 12.44 O ATOM 1099 CB ASP A 67 -10.717 -18.491 0.815 1.00 25.02 C ATOM 1100 CG ASP A 67 -11.907 -17.622 1.281 1.00 33.14 C ATOM 1101 OD1 ASP A 67 -12.597 -17.032 0.419 1.00 52.22 O ATOM 1102 OD2 ASP A 67 -12.148 -17.512 2.505 1.00 33.01 O ATOM 0 H ASP A 67 -8.572 -19.559 0.161 1.00 71.14 H new ATOM 0 HA ASP A 67 -9.673 -17.063 -0.448 1.00 64.22 H new ATOM 0 HB2 ASP A 67 -11.025 -19.084 -0.046 1.00 25.02 H new ATOM 0 HB3 ASP A 67 -10.457 -19.192 1.608 1.00 25.02 H new ATOM 1107 N ASP A 68 -8.399 -17.228 2.603 1.00 63.11 N ATOM 1108 CA ASP A 68 -7.913 -16.447 3.757 1.00 51.14 C ATOM 1109 C ASP A 68 -6.854 -15.432 3.307 1.00 44.12 C ATOM 1110 O ASP A 68 -6.940 -14.259 3.653 1.00 21.25 O ATOM 1111 CB ASP A 68 -7.329 -17.387 4.841 1.00 54.22 C ATOM 1112 CG ASP A 68 -6.687 -16.626 6.017 1.00 35.44 C ATOM 1113 OD1 ASP A 68 -7.434 -16.024 6.819 1.00 72.34 O ATOM 1114 OD2 ASP A 68 -5.442 -16.620 6.136 1.00 25.13 O ATOM 0 H ASP A 68 -8.161 -18.219 2.653 1.00 63.11 H new ATOM 0 HA ASP A 68 -8.756 -15.905 4.186 1.00 51.14 H new ATOM 0 HB2 ASP A 68 -8.122 -18.030 5.222 1.00 54.22 H new ATOM 0 HB3 ASP A 68 -6.582 -18.038 4.386 1.00 54.22 H new ATOM 1119 N ALA A 69 -5.887 -15.914 2.503 1.00 11.44 N ATOM 1120 CA ALA A 69 -4.774 -15.097 1.977 1.00 61.02 C ATOM 1121 C ALA A 69 -5.263 -14.009 0.997 1.00 22.32 C ATOM 1122 O ALA A 69 -4.641 -12.952 0.872 1.00 11.32 O ATOM 1123 CB ALA A 69 -3.747 -15.998 1.298 1.00 43.31 C ATOM 0 H ALA A 69 -5.855 -16.887 2.198 1.00 11.44 H new ATOM 0 HA ALA A 69 -4.311 -14.585 2.821 1.00 61.02 H new ATOM 0 HB1 ALA A 69 -2.929 -15.390 0.912 1.00 43.31 H new ATOM 0 HB2 ALA A 69 -3.357 -16.715 2.021 1.00 43.31 H new ATOM 0 HB3 ALA A 69 -4.220 -16.534 0.475 1.00 43.31 H new ATOM 1129 N ARG A 70 -6.367 -14.308 0.300 1.00 73.42 N ATOM 1130 CA ARG A 70 -6.999 -13.410 -0.682 1.00 53.52 C ATOM 1131 C ARG A 70 -7.652 -12.229 0.041 1.00 71.34 C ATOM 1132 O ARG A 70 -7.496 -11.064 -0.354 1.00 13.20 O ATOM 1133 CB ARG A 70 -8.059 -14.204 -1.489 1.00 45.11 C ATOM 1134 CG ARG A 70 -8.811 -13.388 -2.556 1.00 51.22 C ATOM 1135 CD ARG A 70 -9.718 -14.254 -3.437 1.00 72.03 C ATOM 1136 NE ARG A 70 -10.285 -13.492 -4.562 1.00 40.11 N ATOM 1137 CZ ARG A 70 -10.533 -13.994 -5.783 1.00 1.32 C ATOM 1138 NH1 ARG A 70 -10.271 -15.273 -6.066 1.00 14.11 N ATOM 1139 NH2 ARG A 70 -11.043 -13.202 -6.715 1.00 15.51 N ATOM 0 H ARG A 70 -6.857 -15.197 0.403 1.00 73.42 H new ATOM 0 HA ARG A 70 -6.245 -13.022 -1.367 1.00 53.52 H new ATOM 0 HB2 ARG A 70 -7.567 -15.045 -1.977 1.00 45.11 H new ATOM 0 HB3 ARG A 70 -8.787 -14.621 -0.793 1.00 45.11 H new ATOM 0 HG2 ARG A 70 -9.413 -12.623 -2.065 1.00 51.22 H new ATOM 0 HG3 ARG A 70 -8.088 -12.869 -3.186 1.00 51.22 H new ATOM 0 HD2 ARG A 70 -9.149 -15.100 -3.822 1.00 72.03 H new ATOM 0 HD3 ARG A 70 -10.527 -14.664 -2.832 1.00 72.03 H new ATOM 0 HE ARG A 70 -10.506 -12.509 -4.402 1.00 40.11 H new ATOM 0 HH11 ARG A 70 -9.877 -15.883 -5.350 1.00 14.11 H new ATOM 0 HH12 ARG A 70 -10.465 -15.639 -6.998 1.00 14.11 H new ATOM 0 HH21 ARG A 70 -11.242 -12.225 -6.501 1.00 15.51 H new ATOM 0 HH22 ARG A 70 -11.236 -13.570 -7.647 1.00 15.51 H new ATOM 1153 N LYS A 71 -8.357 -12.580 1.121 1.00 63.21 N ATOM 1154 CA LYS A 71 -9.037 -11.643 2.018 1.00 31.31 C ATOM 1155 C LYS A 71 -8.017 -10.835 2.828 1.00 40.11 C ATOM 1156 O LYS A 71 -8.231 -9.658 3.111 1.00 12.54 O ATOM 1157 CB LYS A 71 -9.969 -12.449 2.948 1.00 11.32 C ATOM 1158 CG LYS A 71 -10.728 -11.624 4.012 1.00 64.51 C ATOM 1159 CD LYS A 71 -11.643 -12.505 4.895 1.00 32.21 C ATOM 1160 CE LYS A 71 -10.870 -13.627 5.618 1.00 60.20 C ATOM 1161 NZ LYS A 71 -11.778 -14.510 6.397 1.00 72.52 N ATOM 0 H LYS A 71 -8.473 -13.553 1.403 1.00 63.21 H new ATOM 0 HA LYS A 71 -9.626 -10.933 1.438 1.00 31.31 H new ATOM 0 HB2 LYS A 71 -10.699 -12.975 2.333 1.00 11.32 H new ATOM 0 HB3 LYS A 71 -9.376 -13.208 3.458 1.00 11.32 H new ATOM 0 HG2 LYS A 71 -10.010 -11.102 4.644 1.00 64.51 H new ATOM 0 HG3 LYS A 71 -11.329 -10.862 3.517 1.00 64.51 H new ATOM 0 HD2 LYS A 71 -12.141 -11.878 5.634 1.00 32.21 H new ATOM 0 HD3 LYS A 71 -12.423 -12.948 4.275 1.00 32.21 H new ATOM 0 HE2 LYS A 71 -10.324 -14.222 4.886 1.00 60.20 H new ATOM 0 HE3 LYS A 71 -10.130 -13.186 6.286 1.00 60.20 H new ATOM 0 HZ1 LYS A 71 -11.221 -15.251 6.868 1.00 72.52 H new ATOM 0 HZ2 LYS A 71 -12.280 -13.947 7.112 1.00 72.52 H new ATOM 0 HZ3 LYS A 71 -12.468 -14.950 5.756 1.00 72.52 H new ATOM 1175 N LYS A 72 -6.895 -11.492 3.162 1.00 31.11 N ATOM 1176 CA LYS A 72 -5.808 -10.892 3.950 1.00 35.23 C ATOM 1177 C LYS A 72 -5.075 -9.837 3.117 1.00 32.22 C ATOM 1178 O LYS A 72 -4.757 -8.765 3.612 1.00 64.13 O ATOM 1179 CB LYS A 72 -4.811 -11.998 4.458 1.00 11.14 C ATOM 1180 CG LYS A 72 -4.621 -12.035 5.984 1.00 32.44 C ATOM 1181 CD LYS A 72 -4.002 -10.727 6.542 1.00 72.43 C ATOM 1182 CE LYS A 72 -3.892 -10.733 8.073 1.00 23.30 C ATOM 1183 NZ LYS A 72 -5.207 -10.954 8.727 1.00 33.24 N ATOM 0 H LYS A 72 -6.716 -12.459 2.891 1.00 31.11 H new ATOM 0 HA LYS A 72 -6.239 -10.405 4.824 1.00 35.23 H new ATOM 0 HB2 LYS A 72 -5.169 -12.972 4.126 1.00 11.14 H new ATOM 0 HB3 LYS A 72 -3.841 -11.838 3.988 1.00 11.14 H new ATOM 0 HG2 LYS A 72 -5.585 -12.209 6.462 1.00 32.44 H new ATOM 0 HG3 LYS A 72 -3.979 -12.876 6.246 1.00 32.44 H new ATOM 0 HD2 LYS A 72 -3.011 -10.585 6.111 1.00 72.43 H new ATOM 0 HD3 LYS A 72 -4.610 -9.879 6.228 1.00 72.43 H new ATOM 0 HE2 LYS A 72 -3.198 -11.514 8.383 1.00 23.30 H new ATOM 0 HE3 LYS A 72 -3.475 -9.784 8.410 1.00 23.30 H new ATOM 0 HZ1 LYS A 72 -5.132 -10.734 9.741 1.00 33.24 H new ATOM 0 HZ2 LYS A 72 -5.920 -10.336 8.290 1.00 33.24 H new ATOM 0 HZ3 LYS A 72 -5.491 -11.947 8.608 1.00 33.24 H new ATOM 1197 N ALA A 73 -4.825 -10.179 1.847 1.00 73.40 N ATOM 1198 CA ALA A 73 -4.135 -9.307 0.888 1.00 72.51 C ATOM 1199 C ALA A 73 -5.037 -8.150 0.430 1.00 53.13 C ATOM 1200 O ALA A 73 -4.544 -7.062 0.105 1.00 1.44 O ATOM 1201 CB ALA A 73 -3.683 -10.140 -0.305 1.00 43.14 C ATOM 0 H ALA A 73 -5.099 -11.079 1.452 1.00 73.40 H new ATOM 0 HA ALA A 73 -3.267 -8.864 1.377 1.00 72.51 H new ATOM 0 HB1 ALA A 73 -3.169 -9.500 -1.022 1.00 43.14 H new ATOM 0 HB2 ALA A 73 -3.004 -10.923 0.034 1.00 43.14 H new ATOM 0 HB3 ALA A 73 -4.552 -10.595 -0.781 1.00 43.14 H new ATOM 1207 N LYS A 74 -6.359 -8.420 0.386 1.00 34.10 N ATOM 1208 CA LYS A 74 -7.379 -7.403 0.094 1.00 73.24 C ATOM 1209 C LYS A 74 -7.384 -6.347 1.207 1.00 24.01 C ATOM 1210 O LYS A 74 -7.151 -5.161 0.949 1.00 54.12 O ATOM 1211 CB LYS A 74 -8.783 -8.066 -0.012 1.00 60.43 C ATOM 1212 CG LYS A 74 -9.955 -7.068 -0.150 1.00 74.35 C ATOM 1213 CD LYS A 74 -11.344 -7.753 -0.135 1.00 74.02 C ATOM 1214 CE LYS A 74 -12.486 -6.728 -0.130 1.00 72.35 C ATOM 1215 NZ LYS A 74 -13.829 -7.360 -0.189 1.00 72.44 N ATOM 0 H LYS A 74 -6.744 -9.350 0.552 1.00 34.10 H new ATOM 0 HA LYS A 74 -7.144 -6.925 -0.857 1.00 73.24 H new ATOM 0 HB2 LYS A 74 -8.790 -8.736 -0.872 1.00 60.43 H new ATOM 0 HB3 LYS A 74 -8.948 -8.681 0.873 1.00 60.43 H new ATOM 0 HG2 LYS A 74 -9.905 -6.344 0.663 1.00 74.35 H new ATOM 0 HG3 LYS A 74 -9.842 -6.511 -1.080 1.00 74.35 H new ATOM 0 HD2 LYS A 74 -11.440 -8.399 -1.007 1.00 74.02 H new ATOM 0 HD3 LYS A 74 -11.425 -8.391 0.745 1.00 74.02 H new ATOM 0 HE2 LYS A 74 -12.416 -6.118 0.771 1.00 72.35 H new ATOM 0 HE3 LYS A 74 -12.368 -6.056 -0.980 1.00 72.35 H new ATOM 0 HZ1 LYS A 74 -14.561 -6.621 -0.183 1.00 72.44 H new ATOM 0 HZ2 LYS A 74 -13.911 -7.921 -1.061 1.00 72.44 H new ATOM 0 HZ3 LYS A 74 -13.957 -7.981 0.635 1.00 72.44 H new ATOM 1229 N LYS A 75 -7.566 -6.840 2.449 1.00 73.13 N ATOM 1230 CA LYS A 75 -7.670 -6.017 3.659 1.00 61.10 C ATOM 1231 C LYS A 75 -6.372 -5.233 3.893 1.00 1.11 C ATOM 1232 O LYS A 75 -6.416 -4.058 4.239 1.00 15.14 O ATOM 1233 CB LYS A 75 -7.988 -6.924 4.878 1.00 72.31 C ATOM 1234 CG LYS A 75 -8.149 -6.191 6.232 1.00 75.40 C ATOM 1235 CD LYS A 75 -9.323 -5.189 6.253 1.00 74.30 C ATOM 1236 CE LYS A 75 -9.513 -4.530 7.629 1.00 52.03 C ATOM 1237 NZ LYS A 75 -10.763 -3.724 7.684 1.00 25.35 N ATOM 0 H LYS A 75 -7.646 -7.839 2.636 1.00 73.13 H new ATOM 0 HA LYS A 75 -8.478 -5.297 3.531 1.00 61.10 H new ATOM 0 HB2 LYS A 75 -8.907 -7.472 4.670 1.00 72.31 H new ATOM 0 HB3 LYS A 75 -7.192 -7.662 4.977 1.00 72.31 H new ATOM 0 HG2 LYS A 75 -8.297 -6.929 7.020 1.00 75.40 H new ATOM 0 HG3 LYS A 75 -7.225 -5.661 6.461 1.00 75.40 H new ATOM 0 HD2 LYS A 75 -9.149 -4.416 5.505 1.00 74.30 H new ATOM 0 HD3 LYS A 75 -10.241 -5.705 5.971 1.00 74.30 H new ATOM 0 HE2 LYS A 75 -9.542 -5.300 8.400 1.00 52.03 H new ATOM 0 HE3 LYS A 75 -8.658 -3.891 7.848 1.00 52.03 H new ATOM 0 HZ1 LYS A 75 -10.858 -3.295 8.626 1.00 25.35 H new ATOM 0 HZ2 LYS A 75 -10.725 -2.974 6.964 1.00 25.35 H new ATOM 0 HZ3 LYS A 75 -11.581 -4.339 7.500 1.00 25.35 H new ATOM 1251 N TRP A 76 -5.233 -5.911 3.654 1.00 13.53 N ATOM 1252 CA TRP A 76 -3.890 -5.329 3.787 1.00 40.30 C ATOM 1253 C TRP A 76 -3.727 -4.102 2.876 1.00 61.14 C ATOM 1254 O TRP A 76 -3.259 -3.059 3.325 1.00 41.43 O ATOM 1255 CB TRP A 76 -2.815 -6.394 3.438 1.00 41.21 C ATOM 1256 CG TRP A 76 -1.394 -5.882 3.508 1.00 63.03 C ATOM 1257 CD1 TRP A 76 -0.615 -5.773 4.622 1.00 52.14 C ATOM 1258 CD2 TRP A 76 -0.597 -5.372 2.421 1.00 24.34 C ATOM 1259 NE1 TRP A 76 0.600 -5.244 4.294 1.00 42.22 N ATOM 1260 CE2 TRP A 76 0.635 -4.986 2.961 1.00 11.01 C ATOM 1261 CE3 TRP A 76 -0.813 -5.204 1.046 1.00 72.54 C ATOM 1262 CZ2 TRP A 76 1.651 -4.447 2.192 1.00 14.13 C ATOM 1263 CZ3 TRP A 76 0.197 -4.666 0.273 1.00 41.21 C ATOM 1264 CH2 TRP A 76 1.417 -4.291 0.848 1.00 21.42 C ATOM 0 H TRP A 76 -5.223 -6.888 3.360 1.00 13.53 H new ATOM 0 HA TRP A 76 -3.759 -5.007 4.820 1.00 40.30 H new ATOM 0 HB2 TRP A 76 -2.920 -7.238 4.120 1.00 41.21 H new ATOM 0 HB3 TRP A 76 -3.005 -6.771 2.433 1.00 41.21 H new ATOM 0 HD1 TRP A 76 -0.915 -6.063 5.618 1.00 52.14 H new ATOM 0 HE1 TRP A 76 1.363 -5.070 4.948 1.00 42.22 H new ATOM 0 HE3 TRP A 76 -1.753 -5.490 0.599 1.00 72.54 H new ATOM 0 HZ2 TRP A 76 2.594 -4.159 2.633 1.00 14.13 H new ATOM 0 HZ3 TRP A 76 0.044 -4.533 -0.788 1.00 41.21 H new ATOM 0 HH2 TRP A 76 2.190 -3.870 0.222 1.00 21.42 H new ATOM 1275 N ALA A 77 -4.116 -4.261 1.596 1.00 42.22 N ATOM 1276 CA ALA A 77 -3.997 -3.199 0.576 1.00 73.32 C ATOM 1277 C ALA A 77 -4.877 -1.982 0.922 1.00 1.03 C ATOM 1278 O ALA A 77 -4.529 -0.837 0.597 1.00 53.44 O ATOM 1279 CB ALA A 77 -4.341 -3.761 -0.804 1.00 53.23 C ATOM 0 H ALA A 77 -4.521 -5.127 1.240 1.00 42.22 H new ATOM 0 HA ALA A 77 -2.965 -2.850 0.561 1.00 73.32 H new ATOM 0 HB1 ALA A 77 -4.251 -2.972 -1.551 1.00 53.23 H new ATOM 0 HB2 ALA A 77 -3.655 -4.572 -1.048 1.00 53.23 H new ATOM 0 HB3 ALA A 77 -5.363 -4.140 -0.798 1.00 53.23 H new ATOM 1285 N LEU A 78 -6.013 -2.251 1.595 1.00 30.45 N ATOM 1286 CA LEU A 78 -6.901 -1.203 2.132 1.00 73.14 C ATOM 1287 C LEU A 78 -6.222 -0.496 3.330 1.00 30.15 C ATOM 1288 O LEU A 78 -6.198 0.737 3.405 1.00 70.32 O ATOM 1289 CB LEU A 78 -8.265 -1.810 2.582 1.00 51.20 C ATOM 1290 CG LEU A 78 -9.030 -2.674 1.528 1.00 34.02 C ATOM 1291 CD1 LEU A 78 -10.355 -3.226 2.100 1.00 52.13 C ATOM 1292 CD2 LEU A 78 -9.256 -1.906 0.212 1.00 13.14 C ATOM 0 H LEU A 78 -6.340 -3.199 1.781 1.00 30.45 H new ATOM 0 HA LEU A 78 -7.089 -0.476 1.342 1.00 73.14 H new ATOM 0 HB2 LEU A 78 -8.089 -2.426 3.464 1.00 51.20 H new ATOM 0 HB3 LEU A 78 -8.917 -0.992 2.889 1.00 51.20 H new ATOM 0 HG LEU A 78 -8.396 -3.529 1.294 1.00 34.02 H new ATOM 0 HD11 LEU A 78 -10.860 -3.822 1.339 1.00 52.13 H new ATOM 0 HD12 LEU A 78 -10.144 -3.850 2.969 1.00 52.13 H new ATOM 0 HD13 LEU A 78 -10.997 -2.396 2.396 1.00 52.13 H new ATOM 0 HD21 LEU A 78 -9.791 -2.542 -0.493 1.00 13.14 H new ATOM 0 HD22 LEU A 78 -9.844 -1.010 0.410 1.00 13.14 H new ATOM 0 HD23 LEU A 78 -8.293 -1.622 -0.213 1.00 13.14 H new ATOM 1304 N GLU A 79 -5.641 -1.314 4.237 1.00 14.32 N ATOM 1305 CA GLU A 79 -5.051 -0.843 5.506 1.00 61.43 C ATOM 1306 C GLU A 79 -3.839 0.065 5.258 1.00 53.41 C ATOM 1307 O GLU A 79 -3.755 1.127 5.860 1.00 23.24 O ATOM 1308 CB GLU A 79 -4.646 -2.035 6.423 1.00 2.15 C ATOM 1309 CG GLU A 79 -5.826 -2.822 7.025 1.00 3.14 C ATOM 1310 CD GLU A 79 -5.372 -3.963 7.948 1.00 23.32 C ATOM 1311 OE1 GLU A 79 -5.009 -5.049 7.441 1.00 24.42 O ATOM 1312 OE2 GLU A 79 -5.373 -3.779 9.185 1.00 3.34 O ATOM 0 H GLU A 79 -5.569 -2.323 4.106 1.00 14.32 H new ATOM 0 HA GLU A 79 -5.819 -0.261 6.016 1.00 61.43 H new ATOM 0 HB2 GLU A 79 -4.026 -2.722 5.848 1.00 2.15 H new ATOM 0 HB3 GLU A 79 -4.029 -1.655 7.237 1.00 2.15 H new ATOM 0 HG2 GLU A 79 -6.464 -2.139 7.586 1.00 3.14 H new ATOM 0 HG3 GLU A 79 -6.432 -3.233 6.218 1.00 3.14 H new ATOM 1319 N VAL A 80 -2.919 -0.364 4.364 1.00 21.41 N ATOM 1320 CA VAL A 80 -1.696 0.409 4.031 1.00 64.21 C ATOM 1321 C VAL A 80 -2.044 1.734 3.327 1.00 53.22 C ATOM 1322 O VAL A 80 -1.387 2.745 3.563 1.00 42.14 O ATOM 1323 CB VAL A 80 -0.669 -0.423 3.167 1.00 5.11 C ATOM 1324 CG1 VAL A 80 -0.150 -1.630 3.954 1.00 43.24 C ATOM 1325 CG2 VAL A 80 -1.270 -0.883 1.826 1.00 41.04 C ATOM 0 H VAL A 80 -3.000 -1.245 3.857 1.00 21.41 H new ATOM 0 HA VAL A 80 -1.210 0.637 4.980 1.00 64.21 H new ATOM 0 HB VAL A 80 0.165 0.242 2.941 1.00 5.11 H new ATOM 0 HG11 VAL A 80 0.556 -2.189 3.340 1.00 43.24 H new ATOM 0 HG12 VAL A 80 0.350 -1.286 4.860 1.00 43.24 H new ATOM 0 HG13 VAL A 80 -0.986 -2.275 4.224 1.00 43.24 H new ATOM 0 HG21 VAL A 80 -0.525 -1.451 1.269 1.00 41.04 H new ATOM 0 HG22 VAL A 80 -2.140 -1.512 2.014 1.00 41.04 H new ATOM 0 HG23 VAL A 80 -1.571 -0.012 1.244 1.00 41.04 H new ATOM 1335 N ALA A 81 -3.109 1.711 2.501 1.00 41.12 N ATOM 1336 CA ALA A 81 -3.646 2.911 1.836 1.00 0.55 C ATOM 1337 C ALA A 81 -4.073 3.965 2.871 1.00 3.22 C ATOM 1338 O ALA A 81 -3.661 5.132 2.816 1.00 3.23 O ATOM 1339 CB ALA A 81 -4.841 2.513 0.961 1.00 51.20 C ATOM 0 H ALA A 81 -3.621 0.857 2.277 1.00 41.12 H new ATOM 0 HA ALA A 81 -2.866 3.348 1.212 1.00 0.55 H new ATOM 0 HB1 ALA A 81 -5.241 3.398 0.467 1.00 51.20 H new ATOM 0 HB2 ALA A 81 -4.518 1.793 0.209 1.00 51.20 H new ATOM 0 HB3 ALA A 81 -5.615 2.064 1.584 1.00 51.20 H new ATOM 1345 N ASN A 82 -4.879 3.502 3.831 1.00 33.44 N ATOM 1346 CA ASN A 82 -5.420 4.325 4.917 1.00 33.11 C ATOM 1347 C ASN A 82 -4.370 4.618 6.005 1.00 42.35 C ATOM 1348 O ASN A 82 -4.531 5.584 6.737 1.00 33.21 O ATOM 1349 CB ASN A 82 -6.704 3.688 5.515 1.00 45.03 C ATOM 1350 CG ASN A 82 -7.921 3.837 4.582 1.00 60.42 C ATOM 1351 OD1 ASN A 82 -8.626 4.844 4.623 1.00 64.21 O ATOM 1352 ND2 ASN A 82 -8.194 2.841 3.756 1.00 73.14 N ATOM 0 H ASN A 82 -5.179 2.528 3.876 1.00 33.44 H new ATOM 0 HA ASN A 82 -5.696 5.287 4.485 1.00 33.11 H new ATOM 0 HB2 ASN A 82 -6.525 2.630 5.709 1.00 45.03 H new ATOM 0 HB3 ASN A 82 -6.925 4.155 6.475 1.00 45.03 H new ATOM 0 HD21 ASN A 82 -9.002 2.899 3.137 1.00 73.14 H new ATOM 0 HD22 ASN A 82 -7.596 2.015 3.738 1.00 73.14 H new ATOM 1359 N LYS A 83 -3.325 3.768 6.123 1.00 13.13 N ATOM 1360 CA LYS A 83 -2.248 3.940 7.132 1.00 21.44 C ATOM 1361 C LYS A 83 -1.390 5.159 6.737 1.00 5.42 C ATOM 1362 O LYS A 83 -1.117 6.025 7.568 1.00 41.32 O ATOM 1363 CB LYS A 83 -1.363 2.641 7.257 1.00 54.24 C ATOM 1364 CG LYS A 83 -0.792 2.334 8.672 1.00 60.14 C ATOM 1365 CD LYS A 83 0.130 3.440 9.242 1.00 32.15 C ATOM 1366 CE LYS A 83 0.750 3.069 10.599 1.00 60.23 C ATOM 1367 NZ LYS A 83 1.608 4.166 11.132 1.00 1.12 N ATOM 0 H LYS A 83 -3.202 2.949 5.528 1.00 13.13 H new ATOM 0 HA LYS A 83 -2.697 4.110 8.110 1.00 21.44 H new ATOM 0 HB2 LYS A 83 -1.960 1.787 6.935 1.00 54.24 H new ATOM 0 HB3 LYS A 83 -0.528 2.727 6.561 1.00 54.24 H new ATOM 0 HG2 LYS A 83 -1.623 2.180 9.360 1.00 60.14 H new ATOM 0 HG3 LYS A 83 -0.234 1.398 8.631 1.00 60.14 H new ATOM 0 HD2 LYS A 83 0.928 3.643 8.528 1.00 32.15 H new ATOM 0 HD3 LYS A 83 -0.442 4.361 9.351 1.00 32.15 H new ATOM 0 HE2 LYS A 83 -0.043 2.848 11.313 1.00 60.23 H new ATOM 0 HE3 LYS A 83 1.344 2.162 10.492 1.00 60.23 H new ATOM 0 HZ1 LYS A 83 2.009 3.879 12.048 1.00 1.12 H new ATOM 0 HZ2 LYS A 83 2.379 4.360 10.462 1.00 1.12 H new ATOM 0 HZ3 LYS A 83 1.035 5.025 11.258 1.00 1.12 H new ATOM 1381 N ILE A 84 -1.000 5.210 5.448 1.00 55.15 N ATOM 1382 CA ILE A 84 -0.270 6.355 4.870 1.00 62.01 C ATOM 1383 C ILE A 84 -1.157 7.618 4.979 1.00 65.25 C ATOM 1384 O ILE A 84 -0.698 8.664 5.436 1.00 35.03 O ATOM 1385 CB ILE A 84 0.146 6.082 3.368 1.00 13.32 C ATOM 1386 CG1 ILE A 84 1.020 4.791 3.251 1.00 44.40 C ATOM 1387 CG2 ILE A 84 0.908 7.285 2.776 1.00 70.31 C ATOM 1388 CD1 ILE A 84 1.161 4.241 1.837 1.00 4.05 C ATOM 0 H ILE A 84 -1.182 4.461 4.780 1.00 55.15 H new ATOM 0 HA ILE A 84 0.653 6.507 5.429 1.00 62.01 H new ATOM 0 HB ILE A 84 -0.772 5.935 2.798 1.00 13.32 H new ATOM 0 HG12 ILE A 84 2.014 5.005 3.643 1.00 44.40 H new ATOM 0 HG13 ILE A 84 0.587 4.017 3.885 1.00 44.40 H new ATOM 0 HG21 ILE A 84 1.182 7.070 1.743 1.00 70.31 H new ATOM 0 HG22 ILE A 84 0.272 8.169 2.806 1.00 70.31 H new ATOM 0 HG23 ILE A 84 1.810 7.467 3.360 1.00 70.31 H new ATOM 0 HD11 ILE A 84 1.783 3.346 1.855 1.00 4.05 H new ATOM 0 HD12 ILE A 84 0.176 3.990 1.444 1.00 4.05 H new ATOM 0 HD13 ILE A 84 1.625 4.993 1.199 1.00 4.05 H new ATOM 1400 N ALA A 85 -2.458 7.466 4.635 1.00 72.44 N ATOM 1401 CA ALA A 85 -3.472 8.536 4.782 1.00 0.32 C ATOM 1402 C ALA A 85 -3.653 8.972 6.255 1.00 14.42 C ATOM 1403 O ALA A 85 -3.994 10.117 6.520 1.00 51.32 O ATOM 1404 CB ALA A 85 -4.818 8.093 4.184 1.00 31.54 C ATOM 0 H ALA A 85 -2.833 6.600 4.249 1.00 72.44 H new ATOM 0 HA ALA A 85 -3.106 9.402 4.230 1.00 0.32 H new ATOM 0 HB1 ALA A 85 -5.549 8.893 4.302 1.00 31.54 H new ATOM 0 HB2 ALA A 85 -4.690 7.872 3.124 1.00 31.54 H new ATOM 0 HB3 ALA A 85 -5.170 7.200 4.701 1.00 31.54 H new ATOM 1410 N ASN A 86 -3.425 8.042 7.201 1.00 5.12 N ATOM 1411 CA ASN A 86 -3.545 8.313 8.656 1.00 12.45 C ATOM 1412 C ASN A 86 -2.401 9.225 9.119 1.00 1.44 C ATOM 1413 O ASN A 86 -2.612 10.147 9.911 1.00 43.42 O ATOM 1414 CB ASN A 86 -3.541 6.973 9.459 1.00 63.51 C ATOM 1415 CG ASN A 86 -3.628 7.152 10.984 1.00 44.50 C ATOM 1416 OD1 ASN A 86 -4.716 7.217 11.556 1.00 54.13 O ATOM 1417 ND2 ASN A 86 -2.482 7.225 11.650 1.00 24.23 N ATOM 0 H ASN A 86 -3.153 7.083 6.985 1.00 5.12 H new ATOM 0 HA ASN A 86 -4.491 8.822 8.843 1.00 12.45 H new ATOM 0 HB2 ASN A 86 -4.380 6.361 9.128 1.00 63.51 H new ATOM 0 HB3 ASN A 86 -2.631 6.422 9.220 1.00 63.51 H new ATOM 0 HD21 ASN A 86 -2.488 7.338 12.664 1.00 24.23 H new ATOM 0 HD22 ASN A 86 -1.596 7.168 11.148 1.00 24.23 H new ATOM 1424 N GLU A 87 -1.192 8.962 8.587 1.00 71.11 N ATOM 1425 CA GLU A 87 0.024 9.736 8.916 1.00 73.22 C ATOM 1426 C GLU A 87 -0.082 11.194 8.423 1.00 51.02 C ATOM 1427 O GLU A 87 0.556 12.090 8.980 1.00 54.45 O ATOM 1428 CB GLU A 87 1.295 9.077 8.284 1.00 24.51 C ATOM 1429 CG GLU A 87 1.487 7.572 8.571 1.00 4.13 C ATOM 1430 CD GLU A 87 1.402 7.205 10.064 1.00 31.42 C ATOM 1431 OE1 GLU A 87 2.410 7.350 10.785 1.00 23.35 O ATOM 1432 OE2 GLU A 87 0.328 6.755 10.523 1.00 3.23 O ATOM 0 H GLU A 87 -1.029 8.209 7.918 1.00 71.11 H new ATOM 0 HA GLU A 87 0.115 9.735 10.002 1.00 73.22 H new ATOM 0 HB2 GLU A 87 1.255 9.219 7.204 1.00 24.51 H new ATOM 0 HB3 GLU A 87 2.175 9.611 8.644 1.00 24.51 H new ATOM 0 HG2 GLU A 87 0.730 7.009 8.025 1.00 4.13 H new ATOM 0 HG3 GLU A 87 2.457 7.260 8.185 1.00 4.13 H new ATOM 1439 N LEU A 88 -0.890 11.410 7.366 1.00 54.23 N ATOM 1440 CA LEU A 88 -0.877 12.655 6.568 1.00 41.03 C ATOM 1441 C LEU A 88 -2.219 13.402 6.594 1.00 42.34 C ATOM 1442 O LEU A 88 -2.274 14.577 6.208 1.00 35.52 O ATOM 1443 CB LEU A 88 -0.534 12.277 5.108 1.00 15.34 C ATOM 1444 CG LEU A 88 0.728 11.390 4.921 1.00 2.12 C ATOM 1445 CD1 LEU A 88 0.809 10.879 3.491 1.00 53.11 C ATOM 1446 CD2 LEU A 88 2.020 12.116 5.348 1.00 21.11 C ATOM 0 H LEU A 88 -1.572 10.725 7.040 1.00 54.23 H new ATOM 0 HA LEU A 88 -0.137 13.327 7.002 1.00 41.03 H new ATOM 0 HB2 LEU A 88 -1.389 11.756 4.676 1.00 15.34 H new ATOM 0 HB3 LEU A 88 -0.398 13.195 4.537 1.00 15.34 H new ATOM 0 HG LEU A 88 0.632 10.530 5.583 1.00 2.12 H new ATOM 0 HD11 LEU A 88 1.698 10.259 3.376 1.00 53.11 H new ATOM 0 HD12 LEU A 88 -0.078 10.287 3.266 1.00 53.11 H new ATOM 0 HD13 LEU A 88 0.865 11.724 2.805 1.00 53.11 H new ATOM 0 HD21 LEU A 88 2.875 11.456 5.199 1.00 21.11 H new ATOM 0 HD22 LEU A 88 2.147 13.016 4.746 1.00 21.11 H new ATOM 0 HD23 LEU A 88 1.952 12.390 6.401 1.00 21.11 H new ATOM 1458 N GLY A 89 -3.294 12.725 7.020 1.00 31.32 N ATOM 1459 CA GLY A 89 -4.657 13.215 6.802 1.00 54.42 C ATOM 1460 C GLY A 89 -5.075 12.992 5.350 1.00 54.44 C ATOM 1461 O GLY A 89 -5.827 12.054 5.045 1.00 63.21 O ATOM 0 H GLY A 89 -3.243 11.836 7.518 1.00 31.32 H new ATOM 0 HA2 GLY A 89 -5.347 12.699 7.469 1.00 54.42 H new ATOM 0 HA3 GLY A 89 -4.712 14.276 7.045 1.00 54.42 H new ATOM 1465 N ALA A 90 -4.543 13.865 4.471 1.00 31.11 N ATOM 1466 CA ALA A 90 -4.567 13.710 3.007 1.00 3.20 C ATOM 1467 C ALA A 90 -5.996 13.751 2.430 1.00 62.20 C ATOM 1468 O ALA A 90 -6.527 14.839 2.194 1.00 74.22 O ATOM 1469 CB ALA A 90 -3.789 12.448 2.588 1.00 2.50 C ATOM 0 H ALA A 90 -4.073 14.719 4.770 1.00 31.11 H new ATOM 0 HA ALA A 90 -4.059 14.570 2.571 1.00 3.20 H new ATOM 0 HB1 ALA A 90 -3.816 12.347 1.503 1.00 2.50 H new ATOM 0 HB2 ALA A 90 -2.754 12.532 2.919 1.00 2.50 H new ATOM 0 HB3 ALA A 90 -4.246 11.570 3.045 1.00 2.50 H new ATOM 1475 N LYS A 91 -6.617 12.564 2.249 1.00 2.23 N ATOM 1476 CA LYS A 91 -7.978 12.437 1.686 1.00 74.15 C ATOM 1477 C LYS A 91 -8.436 10.960 1.780 1.00 73.43 C ATOM 1478 O LYS A 91 -9.006 10.563 2.796 1.00 42.34 O ATOM 1479 CB LYS A 91 -8.042 12.999 0.218 1.00 53.55 C ATOM 1480 CG LYS A 91 -9.445 13.468 -0.274 1.00 42.35 C ATOM 1481 CD LYS A 91 -10.377 12.321 -0.723 1.00 14.20 C ATOM 1482 CE LYS A 91 -9.831 11.558 -1.943 1.00 71.33 C ATOM 1483 NZ LYS A 91 -9.747 12.416 -3.148 1.00 50.12 N ATOM 0 H LYS A 91 -6.189 11.670 2.489 1.00 2.23 H new ATOM 0 HA LYS A 91 -8.672 13.043 2.269 1.00 74.15 H new ATOM 0 HB2 LYS A 91 -7.353 13.840 0.142 1.00 53.55 H new ATOM 0 HB3 LYS A 91 -7.680 12.227 -0.461 1.00 53.55 H new ATOM 0 HG2 LYS A 91 -9.932 14.023 0.528 1.00 42.35 H new ATOM 0 HG3 LYS A 91 -9.313 14.160 -1.106 1.00 42.35 H new ATOM 0 HD2 LYS A 91 -10.515 11.625 0.104 1.00 14.20 H new ATOM 0 HD3 LYS A 91 -11.359 12.729 -0.964 1.00 14.20 H new ATOM 0 HE2 LYS A 91 -8.842 11.164 -1.710 1.00 71.33 H new ATOM 0 HE3 LYS A 91 -10.474 10.703 -2.152 1.00 71.33 H new ATOM 0 HZ1 LYS A 91 -9.358 11.865 -3.940 1.00 50.12 H new ATOM 0 HZ2 LYS A 91 -10.697 12.758 -3.397 1.00 50.12 H new ATOM 0 HZ3 LYS A 91 -9.127 13.228 -2.954 1.00 50.12 H new ATOM 1497 N GLN A 92 -8.126 10.137 0.746 1.00 32.03 N ATOM 1498 CA GLN A 92 -8.620 8.726 0.628 1.00 50.20 C ATOM 1499 C GLN A 92 -7.875 7.978 -0.502 1.00 61.12 C ATOM 1500 O GLN A 92 -6.893 8.476 -1.057 1.00 74.44 O ATOM 1501 CB GLN A 92 -10.189 8.658 0.380 1.00 61.35 C ATOM 1502 CG GLN A 92 -11.067 8.417 1.628 1.00 43.41 C ATOM 1503 CD GLN A 92 -10.674 7.146 2.388 1.00 52.14 C ATOM 1504 OE1 GLN A 92 -11.136 6.048 2.066 1.00 33.05 O ATOM 1505 NE2 GLN A 92 -9.832 7.283 3.396 1.00 5.03 N ATOM 0 H GLN A 92 -7.530 10.424 -0.030 1.00 32.03 H new ATOM 0 HA GLN A 92 -8.413 8.238 1.580 1.00 50.20 H new ATOM 0 HB2 GLN A 92 -10.503 9.593 -0.085 1.00 61.35 H new ATOM 0 HB3 GLN A 92 -10.388 7.862 -0.338 1.00 61.35 H new ATOM 0 HG2 GLN A 92 -10.986 9.275 2.296 1.00 43.41 H new ATOM 0 HG3 GLN A 92 -12.112 8.346 1.325 1.00 43.41 H new ATOM 0 HE21 GLN A 92 -9.469 8.206 3.635 1.00 5.03 H new ATOM 0 HE22 GLN A 92 -9.545 6.466 3.935 1.00 5.03 H new ATOM 1514 N SER A 93 -8.370 6.766 -0.822 1.00 54.10 N ATOM 1515 CA SER A 93 -7.856 5.926 -1.915 1.00 3.12 C ATOM 1516 C SER A 93 -9.014 5.394 -2.773 1.00 22.43 C ATOM 1517 O SER A 93 -10.116 5.171 -2.259 1.00 0.31 O ATOM 1518 CB SER A 93 -7.050 4.744 -1.325 1.00 21.24 C ATOM 1519 OG SER A 93 -7.791 4.026 -0.346 1.00 41.13 O ATOM 0 H SER A 93 -9.149 6.340 -0.320 1.00 54.10 H new ATOM 0 HA SER A 93 -7.205 6.529 -2.548 1.00 3.12 H new ATOM 0 HB2 SER A 93 -6.760 4.067 -2.128 1.00 21.24 H new ATOM 0 HB3 SER A 93 -6.130 5.121 -0.878 1.00 21.24 H new ATOM 0 HG SER A 93 -7.316 3.200 -0.117 1.00 41.13 H new ATOM 1525 N THR A 94 -8.769 5.237 -4.088 1.00 10.12 N ATOM 1526 CA THR A 94 -9.666 4.486 -4.987 1.00 3.02 C ATOM 1527 C THR A 94 -9.119 3.049 -5.103 1.00 42.33 C ATOM 1528 O THR A 94 -7.897 2.844 -5.164 1.00 20.11 O ATOM 1529 CB THR A 94 -9.805 5.159 -6.409 1.00 42.21 C ATOM 1530 OG1 THR A 94 -10.817 4.491 -7.182 1.00 72.54 O ATOM 1531 CG2 THR A 94 -8.487 5.166 -7.209 1.00 30.11 C ATOM 0 H THR A 94 -7.949 5.625 -4.555 1.00 10.12 H new ATOM 0 HA THR A 94 -10.671 4.482 -4.566 1.00 3.02 H new ATOM 0 HB THR A 94 -10.085 6.196 -6.226 1.00 42.21 H new ATOM 0 HG1 THR A 94 -10.894 4.919 -8.060 1.00 72.54 H new ATOM 0 HG21 THR A 94 -8.651 5.642 -8.176 1.00 30.11 H new ATOM 0 HG22 THR A 94 -7.728 5.720 -6.656 1.00 30.11 H new ATOM 0 HG23 THR A 94 -8.149 4.141 -7.362 1.00 30.11 H new ATOM 1539 N THR A 95 -10.011 2.051 -5.083 1.00 24.31 N ATOM 1540 CA THR A 95 -9.614 0.637 -5.093 1.00 52.32 C ATOM 1541 C THR A 95 -10.208 -0.073 -6.322 1.00 62.43 C ATOM 1542 O THR A 95 -11.428 -0.249 -6.418 1.00 51.40 O ATOM 1543 CB THR A 95 -10.064 -0.072 -3.764 1.00 53.25 C ATOM 1544 OG1 THR A 95 -11.477 0.083 -3.570 1.00 24.24 O ATOM 1545 CG2 THR A 95 -9.336 0.499 -2.531 1.00 3.40 C ATOM 0 H THR A 95 -11.020 2.198 -5.060 1.00 24.31 H new ATOM 0 HA THR A 95 -8.527 0.579 -5.155 1.00 52.32 H new ATOM 0 HB THR A 95 -9.807 -1.126 -3.866 1.00 53.25 H new ATOM 0 HG1 THR A 95 -11.929 0.076 -4.439 1.00 24.24 H new ATOM 0 HG21 THR A 95 -9.677 -0.019 -1.635 1.00 3.40 H new ATOM 0 HG22 THR A 95 -8.261 0.358 -2.645 1.00 3.40 H new ATOM 0 HG23 THR A 95 -9.554 1.563 -2.440 1.00 3.40 H new ATOM 1553 N THR A 96 -9.330 -0.436 -7.267 1.00 73.04 N ATOM 1554 CA THR A 96 -9.687 -1.259 -8.422 1.00 61.13 C ATOM 1555 C THR A 96 -9.669 -2.735 -7.991 1.00 54.34 C ATOM 1556 O THR A 96 -8.605 -3.300 -7.712 1.00 2.44 O ATOM 1557 CB THR A 96 -8.678 -1.017 -9.602 1.00 34.03 C ATOM 1558 OG1 THR A 96 -8.695 0.374 -9.941 1.00 51.42 O ATOM 1559 CG2 THR A 96 -9.018 -1.850 -10.856 1.00 22.20 C ATOM 0 H THR A 96 -8.347 -0.163 -7.248 1.00 73.04 H new ATOM 0 HA THR A 96 -10.682 -0.990 -8.776 1.00 61.13 H new ATOM 0 HB THR A 96 -7.690 -1.331 -9.265 1.00 34.03 H new ATOM 0 HG1 THR A 96 -8.068 0.539 -10.676 1.00 51.42 H new ATOM 0 HG21 THR A 96 -8.289 -1.643 -11.639 1.00 22.20 H new ATOM 0 HG22 THR A 96 -8.991 -2.911 -10.606 1.00 22.20 H new ATOM 0 HG23 THR A 96 -10.015 -1.585 -11.209 1.00 22.20 H new ATOM 1567 N THR A 97 -10.863 -3.332 -7.912 1.00 14.14 N ATOM 1568 CA THR A 97 -11.039 -4.730 -7.503 1.00 24.14 C ATOM 1569 C THR A 97 -11.155 -5.629 -8.749 1.00 31.34 C ATOM 1570 O THR A 97 -11.949 -5.353 -9.659 1.00 33.41 O ATOM 1571 CB THR A 97 -12.272 -4.910 -6.545 1.00 41.33 C ATOM 1572 OG1 THR A 97 -12.492 -6.305 -6.272 1.00 74.22 O ATOM 1573 CG2 THR A 97 -13.561 -4.282 -7.099 1.00 14.34 C ATOM 0 H THR A 97 -11.739 -2.857 -8.131 1.00 14.14 H new ATOM 0 HA THR A 97 -10.160 -5.033 -6.935 1.00 24.14 H new ATOM 0 HB THR A 97 -12.027 -4.382 -5.623 1.00 41.33 H new ATOM 0 HG1 THR A 97 -13.261 -6.404 -5.673 1.00 74.22 H new ATOM 0 HG21 THR A 97 -14.376 -4.440 -6.392 1.00 14.34 H new ATOM 0 HG22 THR A 97 -13.410 -3.213 -7.246 1.00 14.34 H new ATOM 0 HG23 THR A 97 -13.812 -4.748 -8.052 1.00 14.34 H new ATOM 1581 N ASP A 98 -10.325 -6.683 -8.785 1.00 51.15 N ATOM 1582 CA ASP A 98 -10.293 -7.671 -9.878 1.00 35.41 C ATOM 1583 C ASP A 98 -9.640 -8.974 -9.370 1.00 23.21 C ATOM 1584 O ASP A 98 -8.790 -8.935 -8.470 1.00 70.33 O ATOM 1585 CB ASP A 98 -9.531 -7.094 -11.105 1.00 61.43 C ATOM 1586 CG ASP A 98 -9.425 -8.079 -12.279 1.00 23.14 C ATOM 1587 OD1 ASP A 98 -10.417 -8.253 -13.022 1.00 51.25 O ATOM 1588 OD2 ASP A 98 -8.354 -8.694 -12.464 1.00 63.30 O ATOM 0 H ASP A 98 -9.648 -6.877 -8.047 1.00 51.15 H new ATOM 0 HA ASP A 98 -11.310 -7.896 -10.200 1.00 35.41 H new ATOM 0 HB2 ASP A 98 -10.036 -6.190 -11.444 1.00 61.43 H new ATOM 0 HB3 ASP A 98 -8.528 -6.801 -10.795 1.00 61.43 H new ATOM 1593 N GLY A 99 -10.056 -10.114 -9.952 1.00 21.44 N ATOM 1594 CA GLY A 99 -9.622 -11.436 -9.496 1.00 63.04 C ATOM 1595 C GLY A 99 -8.182 -11.778 -9.867 1.00 44.43 C ATOM 1596 O GLY A 99 -7.520 -12.525 -9.145 1.00 71.12 O ATOM 0 H GLY A 99 -10.697 -10.139 -10.745 1.00 21.44 H new ATOM 0 HA2 GLY A 99 -9.730 -11.489 -8.413 1.00 63.04 H new ATOM 0 HA3 GLY A 99 -10.285 -12.191 -9.919 1.00 63.04 H new ATOM 1600 N ASP A 100 -7.699 -11.241 -10.997 1.00 2.23 N ATOM 1601 CA ASP A 100 -6.331 -11.496 -11.495 1.00 12.41 C ATOM 1602 C ASP A 100 -5.308 -10.638 -10.723 1.00 1.31 C ATOM 1603 O ASP A 100 -4.301 -11.161 -10.220 1.00 42.22 O ATOM 1604 CB ASP A 100 -6.258 -11.210 -13.020 1.00 10.31 C ATOM 1605 CG ASP A 100 -4.873 -11.502 -13.632 1.00 25.21 C ATOM 1606 OD1 ASP A 100 -4.604 -12.654 -13.988 1.00 64.35 O ATOM 1607 OD2 ASP A 100 -4.044 -10.590 -13.752 1.00 61.31 O ATOM 0 H ASP A 100 -8.242 -10.617 -11.594 1.00 2.23 H new ATOM 0 HA ASP A 100 -6.084 -12.545 -11.329 1.00 12.41 H new ATOM 0 HB2 ASP A 100 -7.008 -11.814 -13.532 1.00 10.31 H new ATOM 0 HB3 ASP A 100 -6.513 -10.166 -13.199 1.00 10.31 H new ATOM 1612 N THR A 101 -5.580 -9.316 -10.644 1.00 60.10 N ATOM 1613 CA THR A 101 -4.725 -8.340 -9.921 1.00 65.33 C ATOM 1614 C THR A 101 -5.599 -7.330 -9.151 1.00 72.24 C ATOM 1615 O THR A 101 -6.640 -6.900 -9.647 1.00 34.00 O ATOM 1616 CB THR A 101 -3.761 -7.553 -10.886 1.00 34.43 C ATOM 1617 OG1 THR A 101 -4.501 -6.998 -11.983 1.00 4.12 O ATOM 1618 CG2 THR A 101 -2.615 -8.431 -11.430 1.00 13.23 C ATOM 0 H THR A 101 -6.399 -8.892 -11.080 1.00 60.10 H new ATOM 0 HA THR A 101 -4.112 -8.915 -9.227 1.00 65.33 H new ATOM 0 HB THR A 101 -3.310 -6.755 -10.296 1.00 34.43 H new ATOM 0 HG1 THR A 101 -3.891 -6.510 -12.575 1.00 4.12 H new ATOM 0 HG21 THR A 101 -1.983 -7.836 -12.089 1.00 13.23 H new ATOM 0 HG22 THR A 101 -2.019 -8.808 -10.599 1.00 13.23 H new ATOM 0 HG23 THR A 101 -3.032 -9.270 -11.987 1.00 13.23 H new ATOM 1626 N PHE A 102 -5.150 -6.949 -7.944 1.00 14.21 N ATOM 1627 CA PHE A 102 -5.834 -5.961 -7.088 1.00 72.32 C ATOM 1628 C PHE A 102 -4.949 -4.711 -6.990 1.00 45.33 C ATOM 1629 O PHE A 102 -3.826 -4.795 -6.474 1.00 20.22 O ATOM 1630 CB PHE A 102 -6.084 -6.580 -5.680 1.00 12.14 C ATOM 1631 CG PHE A 102 -6.959 -5.748 -4.731 1.00 10.24 C ATOM 1632 CD1 PHE A 102 -8.195 -5.255 -5.151 1.00 55.40 C ATOM 1633 CD2 PHE A 102 -6.567 -5.491 -3.415 1.00 45.32 C ATOM 1634 CE1 PHE A 102 -9.002 -4.521 -4.298 1.00 64.12 C ATOM 1635 CE2 PHE A 102 -7.380 -4.758 -2.563 1.00 72.33 C ATOM 1636 CZ PHE A 102 -8.595 -4.280 -3.002 1.00 20.22 C ATOM 0 H PHE A 102 -4.295 -7.320 -7.530 1.00 14.21 H new ATOM 0 HA PHE A 102 -6.799 -5.684 -7.513 1.00 72.32 H new ATOM 0 HB2 PHE A 102 -6.550 -7.557 -5.811 1.00 12.14 H new ATOM 0 HB3 PHE A 102 -5.119 -6.748 -5.201 1.00 12.14 H new ATOM 0 HD1 PHE A 102 -8.528 -5.449 -6.160 1.00 55.40 H new ATOM 0 HD2 PHE A 102 -5.620 -5.867 -3.057 1.00 45.32 H new ATOM 0 HE1 PHE A 102 -9.949 -4.137 -4.647 1.00 64.12 H new ATOM 0 HE2 PHE A 102 -7.059 -4.561 -1.551 1.00 72.33 H new ATOM 0 HZ PHE A 102 -9.228 -3.717 -2.332 1.00 20.22 H new ATOM 1646 N GLU A 103 -5.432 -3.567 -7.516 1.00 25.25 N ATOM 1647 CA GLU A 103 -4.703 -2.290 -7.439 1.00 33.52 C ATOM 1648 C GLU A 103 -5.485 -1.276 -6.591 1.00 2.13 C ATOM 1649 O GLU A 103 -6.651 -1.011 -6.853 1.00 75.11 O ATOM 1650 CB GLU A 103 -4.393 -1.703 -8.848 1.00 73.43 C ATOM 1651 CG GLU A 103 -3.696 -0.310 -8.799 1.00 73.33 C ATOM 1652 CD GLU A 103 -3.116 0.173 -10.138 1.00 63.50 C ATOM 1653 OE1 GLU A 103 -3.883 0.677 -10.982 1.00 42.35 O ATOM 1654 OE2 GLU A 103 -1.887 0.053 -10.351 1.00 5.01 O ATOM 0 H GLU A 103 -6.328 -3.504 -8.000 1.00 25.25 H new ATOM 0 HA GLU A 103 -3.746 -2.492 -6.958 1.00 33.52 H new ATOM 0 HB2 GLU A 103 -3.756 -2.401 -9.392 1.00 73.43 H new ATOM 0 HB3 GLU A 103 -5.323 -1.616 -9.410 1.00 73.43 H new ATOM 0 HG2 GLU A 103 -4.416 0.428 -8.445 1.00 73.33 H new ATOM 0 HG3 GLU A 103 -2.892 -0.348 -8.064 1.00 73.33 H new ATOM 1661 N VAL A 104 -4.824 -0.744 -5.556 1.00 3.12 N ATOM 1662 CA VAL A 104 -5.336 0.346 -4.725 1.00 33.23 C ATOM 1663 C VAL A 104 -4.486 1.600 -4.988 1.00 23.31 C ATOM 1664 O VAL A 104 -3.339 1.669 -4.561 1.00 20.13 O ATOM 1665 CB VAL A 104 -5.251 -0.046 -3.200 1.00 23.43 C ATOM 1666 CG1 VAL A 104 -5.689 1.121 -2.285 1.00 72.54 C ATOM 1667 CG2 VAL A 104 -6.069 -1.324 -2.916 1.00 1.05 C ATOM 0 H VAL A 104 -3.900 -1.067 -5.269 1.00 3.12 H new ATOM 0 HA VAL A 104 -6.379 0.540 -4.974 1.00 33.23 H new ATOM 0 HB VAL A 104 -4.207 -0.257 -2.970 1.00 23.43 H new ATOM 0 HG11 VAL A 104 -5.617 0.812 -1.242 1.00 72.54 H new ATOM 0 HG12 VAL A 104 -5.040 1.980 -2.455 1.00 72.54 H new ATOM 0 HG13 VAL A 104 -6.719 1.394 -2.512 1.00 72.54 H new ATOM 0 HG21 VAL A 104 -5.996 -1.575 -1.858 1.00 1.05 H new ATOM 0 HG22 VAL A 104 -7.113 -1.153 -3.177 1.00 1.05 H new ATOM 0 HG23 VAL A 104 -5.676 -2.147 -3.513 1.00 1.05 H new ATOM 1677 N GLU A 105 -5.048 2.587 -5.684 1.00 51.01 N ATOM 1678 CA GLU A 105 -4.361 3.862 -5.930 1.00 24.23 C ATOM 1679 C GLU A 105 -4.806 4.865 -4.867 1.00 11.42 C ATOM 1680 O GLU A 105 -5.995 5.177 -4.759 1.00 44.22 O ATOM 1681 CB GLU A 105 -4.643 4.392 -7.357 1.00 53.31 C ATOM 1682 CG GLU A 105 -4.150 3.447 -8.472 1.00 13.12 C ATOM 1683 CD GLU A 105 -4.214 4.069 -9.869 1.00 33.54 C ATOM 1684 OE1 GLU A 105 -5.263 3.967 -10.540 1.00 23.42 O ATOM 1685 OE2 GLU A 105 -3.214 4.669 -10.305 1.00 54.31 O ATOM 0 H GLU A 105 -5.982 2.531 -6.091 1.00 51.01 H new ATOM 0 HA GLU A 105 -3.283 3.712 -5.863 1.00 24.23 H new ATOM 0 HB2 GLU A 105 -5.715 4.549 -7.472 1.00 53.31 H new ATOM 0 HB3 GLU A 105 -4.164 5.364 -7.477 1.00 53.31 H new ATOM 0 HG2 GLU A 105 -3.122 3.153 -8.260 1.00 13.12 H new ATOM 0 HG3 GLU A 105 -4.751 2.538 -8.459 1.00 13.12 H new ATOM 1692 N VAL A 106 -3.842 5.344 -4.071 1.00 14.42 N ATOM 1693 CA VAL A 106 -4.112 6.199 -2.917 1.00 4.44 C ATOM 1694 C VAL A 106 -3.866 7.664 -3.302 1.00 2.50 C ATOM 1695 O VAL A 106 -2.716 8.085 -3.441 1.00 33.20 O ATOM 1696 CB VAL A 106 -3.194 5.802 -1.688 1.00 64.12 C ATOM 1697 CG1 VAL A 106 -3.775 6.339 -0.363 1.00 5.21 C ATOM 1698 CG2 VAL A 106 -2.957 4.274 -1.626 1.00 2.22 C ATOM 0 H VAL A 106 -2.851 5.147 -4.213 1.00 14.42 H new ATOM 0 HA VAL A 106 -5.152 6.065 -2.619 1.00 4.44 H new ATOM 0 HB VAL A 106 -2.222 6.273 -1.837 1.00 64.12 H new ATOM 0 HG11 VAL A 106 -3.124 6.051 0.463 1.00 5.21 H new ATOM 0 HG12 VAL A 106 -3.843 7.426 -0.410 1.00 5.21 H new ATOM 0 HG13 VAL A 106 -4.769 5.920 -0.205 1.00 5.21 H new ATOM 0 HG21 VAL A 106 -2.323 4.038 -0.771 1.00 2.22 H new ATOM 0 HG22 VAL A 106 -3.913 3.761 -1.521 1.00 2.22 H new ATOM 0 HG23 VAL A 106 -2.467 3.944 -2.542 1.00 2.22 H new ATOM 1708 N ILE A 107 -4.950 8.440 -3.468 1.00 74.04 N ATOM 1709 CA ILE A 107 -4.854 9.847 -3.864 1.00 42.32 C ATOM 1710 C ILE A 107 -4.731 10.683 -2.583 1.00 25.14 C ATOM 1711 O ILE A 107 -5.727 10.972 -1.888 1.00 13.25 O ATOM 1712 CB ILE A 107 -6.074 10.319 -4.762 1.00 52.14 C ATOM 1713 CG1 ILE A 107 -6.116 9.563 -6.145 1.00 74.40 C ATOM 1714 CG2 ILE A 107 -6.051 11.855 -4.996 1.00 44.32 C ATOM 1715 CD1 ILE A 107 -6.504 8.093 -6.087 1.00 43.32 C ATOM 0 H ILE A 107 -5.906 8.110 -3.332 1.00 74.04 H new ATOM 0 HA ILE A 107 -3.974 9.985 -4.493 1.00 42.32 H new ATOM 0 HB ILE A 107 -6.979 10.066 -4.210 1.00 52.14 H new ATOM 0 HG12 ILE A 107 -6.820 10.079 -6.798 1.00 74.40 H new ATOM 0 HG13 ILE A 107 -5.133 9.641 -6.610 1.00 74.40 H new ATOM 0 HG21 ILE A 107 -6.901 12.142 -5.615 1.00 44.32 H new ATOM 0 HG22 ILE A 107 -6.110 12.370 -4.037 1.00 44.32 H new ATOM 0 HG23 ILE A 107 -5.125 12.132 -5.500 1.00 44.32 H new ATOM 0 HD11 ILE A 107 -6.500 7.676 -7.094 1.00 43.32 H new ATOM 0 HD12 ILE A 107 -5.789 7.552 -5.467 1.00 43.32 H new ATOM 0 HD13 ILE A 107 -7.501 7.997 -5.658 1.00 43.32 H new ATOM 1727 N LEU A 108 -3.482 11.021 -2.260 1.00 54.13 N ATOM 1728 CA LEU A 108 -3.140 11.768 -1.055 1.00 32.33 C ATOM 1729 C LEU A 108 -3.026 13.246 -1.412 1.00 52.53 C ATOM 1730 O LEU A 108 -1.995 13.704 -1.910 1.00 10.32 O ATOM 1731 CB LEU A 108 -1.809 11.217 -0.489 1.00 41.01 C ATOM 1732 CG LEU A 108 -1.820 9.697 -0.141 1.00 51.32 C ATOM 1733 CD1 LEU A 108 -0.403 9.157 0.043 1.00 2.44 C ATOM 1734 CD2 LEU A 108 -2.682 9.409 1.105 1.00 2.34 C ATOM 0 H LEU A 108 -2.674 10.781 -2.834 1.00 54.13 H new ATOM 0 HA LEU A 108 -3.910 11.657 -0.291 1.00 32.33 H new ATOM 0 HB2 LEU A 108 -1.018 11.402 -1.216 1.00 41.01 H new ATOM 0 HB3 LEU A 108 -1.554 11.778 0.410 1.00 41.01 H new ATOM 0 HG LEU A 108 -2.270 9.176 -0.986 1.00 51.32 H new ATOM 0 HD11 LEU A 108 -0.447 8.095 0.285 1.00 2.44 H new ATOM 0 HD12 LEU A 108 0.162 9.296 -0.879 1.00 2.44 H new ATOM 0 HD13 LEU A 108 0.088 9.694 0.855 1.00 2.44 H new ATOM 0 HD21 LEU A 108 -2.667 8.340 1.319 1.00 2.34 H new ATOM 0 HD22 LEU A 108 -2.281 9.955 1.959 1.00 2.34 H new ATOM 0 HD23 LEU A 108 -3.708 9.728 0.919 1.00 2.34 H new ATOM 1746 N GLU A 109 -4.095 13.996 -1.136 1.00 50.43 N ATOM 1747 CA GLU A 109 -4.170 15.416 -1.490 1.00 73.32 C ATOM 1748 C GLU A 109 -3.631 16.262 -0.342 1.00 55.24 C ATOM 1749 O GLU A 109 -4.363 16.613 0.586 1.00 41.40 O ATOM 1750 CB GLU A 109 -5.615 15.812 -1.857 1.00 34.43 C ATOM 1751 CG GLU A 109 -6.158 15.057 -3.078 1.00 3.11 C ATOM 1752 CD GLU A 109 -7.531 15.557 -3.540 1.00 63.24 C ATOM 1753 OE1 GLU A 109 -7.592 16.482 -4.378 1.00 65.55 O ATOM 1754 OE2 GLU A 109 -8.554 15.027 -3.081 1.00 12.21 O ATOM 0 H GLU A 109 -4.927 13.640 -0.665 1.00 50.43 H new ATOM 0 HA GLU A 109 -3.552 15.599 -2.369 1.00 73.32 H new ATOM 0 HB2 GLU A 109 -6.265 15.623 -1.003 1.00 34.43 H new ATOM 0 HB3 GLU A 109 -5.652 16.883 -2.054 1.00 34.43 H new ATOM 0 HG2 GLU A 109 -5.449 15.153 -3.900 1.00 3.11 H new ATOM 0 HG3 GLU A 109 -6.227 13.996 -2.839 1.00 3.11 H new ATOM 1761 N LEU A 110 -2.317 16.498 -0.364 1.00 40.13 N ATOM 1762 CA LEU A 110 -1.665 17.456 0.527 1.00 31.34 C ATOM 1763 C LEU A 110 -1.206 18.637 -0.322 1.00 1.32 C ATOM 1764 O LEU A 110 -0.264 18.502 -1.120 1.00 63.42 O ATOM 1765 CB LEU A 110 -0.453 16.835 1.291 1.00 32.44 C ATOM 1766 CG LEU A 110 -0.777 15.626 2.243 1.00 50.11 C ATOM 1767 CD1 LEU A 110 -0.884 14.300 1.469 1.00 43.14 C ATOM 1768 CD2 LEU A 110 0.243 15.516 3.388 1.00 64.32 C ATOM 0 H LEU A 110 -1.675 16.028 -1.002 1.00 40.13 H new ATOM 0 HA LEU A 110 -2.377 17.770 1.290 1.00 31.34 H new ATOM 0 HB2 LEU A 110 0.282 16.505 0.557 1.00 32.44 H new ATOM 0 HB3 LEU A 110 0.018 17.620 1.883 1.00 32.44 H new ATOM 0 HG LEU A 110 -1.752 15.826 2.686 1.00 50.11 H new ATOM 0 HD11 LEU A 110 -1.109 13.490 2.163 1.00 43.14 H new ATOM 0 HD12 LEU A 110 -1.680 14.374 0.728 1.00 43.14 H new ATOM 0 HD13 LEU A 110 0.061 14.095 0.966 1.00 43.14 H new ATOM 0 HD21 LEU A 110 -0.014 14.669 4.024 1.00 64.32 H new ATOM 0 HD22 LEU A 110 1.240 15.369 2.974 1.00 64.32 H new ATOM 0 HD23 LEU A 110 0.227 16.432 3.979 1.00 64.32 H new