USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 851 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 17 TYR OH : rot 110:sc= 0.986 USER MOD Set 1.2: A 88 TYR OH : rot 109:sc= 1.27 USER MOD Single : A 10 THR OG1 : rot -130:sc= -1.34 USER MOD Single : A 15 LYS NZ :NH3+ -172:sc=-7.41e-05 (180deg=-0.105) USER MOD Single : A 16 ASN : amide:sc= -1.72 K(o=-1.7,f=-2.3!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 130:sc= -1.03 USER MOD Single : A 39 HIS : no HD1:sc= -0.996 X(o=-1,f=-1.4!) USER MOD Single : A 40 CYS SG : rot -58:sc= -0.254 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -145:sc= -2.18 (180deg=-5.28!) USER MOD Single : A 47 TYR OH : rot -151:sc= -1.2 USER MOD Single : A 54 TYR OH : rot -111:sc= -0.176 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -129:sc= 1.22 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -157:sc= -0.993 (180deg=-1.64) USER MOD Single : A 71 THR OG1 : rot -30:sc= 0.148! USER MOD Single : A 73 ASN : amide:sc= -5.28! C(o=-5.3!,f=-18!) USER MOD Single : A 84 THR OG1 : rot -13:sc= 0.851 USER MOD Single : A 86 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00691) USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0558) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -7.43! C(o=-7.4!,f=-9.2!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 8 -1.073 8.420 -8.344 1.00 14.24 N ATOM 84 CA PRO A 8 -1.407 7.077 -8.824 1.00 15.51 C ATOM 85 C PRO A 8 -1.884 6.158 -7.706 1.00 72.52 C ATOM 86 O PRO A 8 -2.963 5.572 -7.786 1.00 41.40 O ATOM 87 CB PRO A 8 -0.088 6.563 -9.396 1.00 3.35 C ATOM 88 CG PRO A 8 0.973 7.313 -8.667 1.00 63.20 C ATOM 89 CD PRO A 8 0.384 8.653 -8.313 1.00 34.42 C ATOM 0 HA PRO A 8 -2.224 7.101 -9.545 1.00 15.51 H new ATOM 0 HB2 PRO A 8 0.015 5.488 -9.245 1.00 3.35 H new ATOM 0 HB3 PRO A 8 -0.029 6.741 -10.470 1.00 3.35 H new ATOM 0 HG2 PRO A 8 1.281 6.776 -7.770 1.00 63.20 H new ATOM 0 HG3 PRO A 8 1.861 7.431 -9.288 1.00 63.20 H new ATOM 0 HD2 PRO A 8 0.714 8.987 -7.329 1.00 34.42 H new ATOM 0 HD3 PRO A 8 0.681 9.421 -9.027 1.00 34.42 H new ATOM 97 N VAL A 9 -1.066 6.033 -6.668 1.00 44.12 N ATOM 98 CA VAL A 9 -1.388 5.183 -5.532 1.00 62.33 C ATOM 99 C VAL A 9 -2.748 5.552 -4.943 1.00 22.23 C ATOM 100 O VAL A 9 -3.310 6.600 -5.262 1.00 54.03 O ATOM 101 CB VAL A 9 -0.275 5.274 -4.455 1.00 64.01 C ATOM 102 CG1 VAL A 9 -0.819 5.707 -3.097 1.00 13.52 C ATOM 103 CG2 VAL A 9 0.462 3.951 -4.345 1.00 42.03 C ATOM 0 H VAL A 9 -0.170 6.514 -6.591 1.00 44.12 H new ATOM 0 HA VAL A 9 -1.444 4.152 -5.881 1.00 62.33 H new ATOM 0 HB VAL A 9 0.427 6.044 -4.775 1.00 64.01 H new ATOM 0 HG11 VAL A 9 -0.002 5.756 -2.377 1.00 13.52 H new ATOM 0 HG12 VAL A 9 -1.283 6.689 -3.187 1.00 13.52 H new ATOM 0 HG13 VAL A 9 -1.561 4.985 -2.755 1.00 13.52 H new ATOM 0 HG21 VAL A 9 1.240 4.030 -3.586 1.00 42.03 H new ATOM 0 HG22 VAL A 9 -0.240 3.166 -4.065 1.00 42.03 H new ATOM 0 HG23 VAL A 9 0.916 3.706 -5.305 1.00 42.03 H new ATOM 113 N THR A 10 -3.276 4.680 -4.093 1.00 5.01 N ATOM 114 CA THR A 10 -4.574 4.913 -3.473 1.00 75.12 C ATOM 115 C THR A 10 -4.434 5.239 -1.989 1.00 31.32 C ATOM 116 O THR A 10 -4.472 4.348 -1.140 1.00 72.42 O ATOM 117 CB THR A 10 -5.472 3.689 -3.653 1.00 63.14 C ATOM 118 OG1 THR A 10 -5.454 3.246 -4.998 1.00 31.52 O ATOM 119 CG2 THR A 10 -6.915 3.945 -3.273 1.00 13.33 C ATOM 0 H THR A 10 -2.826 3.807 -3.818 1.00 5.01 H new ATOM 0 HA THR A 10 -5.028 5.772 -3.967 1.00 75.12 H new ATOM 0 HB THR A 10 -5.065 2.932 -2.983 1.00 63.14 H new ATOM 0 HG1 THR A 10 -6.373 3.127 -5.316 1.00 31.52 H new ATOM 0 HG21 THR A 10 -7.498 3.036 -3.424 1.00 13.33 H new ATOM 0 HG22 THR A 10 -6.968 4.240 -2.225 1.00 13.33 H new ATOM 0 HG23 THR A 10 -7.319 4.743 -3.896 1.00 13.33 H new ATOM 127 N VAL A 11 -4.293 6.524 -1.680 1.00 71.41 N ATOM 128 CA VAL A 11 -4.175 6.957 -0.295 1.00 3.10 C ATOM 129 C VAL A 11 -5.486 6.706 0.432 1.00 13.32 C ATOM 130 O VAL A 11 -6.394 7.537 0.405 1.00 52.32 O ATOM 131 CB VAL A 11 -3.815 8.451 -0.190 1.00 61.10 C ATOM 132 CG1 VAL A 11 -3.355 8.792 1.219 1.00 2.44 C ATOM 133 CG2 VAL A 11 -2.750 8.818 -1.211 1.00 12.43 C ATOM 0 H VAL A 11 -4.258 7.278 -2.366 1.00 71.41 H new ATOM 0 HA VAL A 11 -3.371 6.382 0.164 1.00 3.10 H new ATOM 0 HB VAL A 11 -4.708 9.037 -0.407 1.00 61.10 H new ATOM 0 HG11 VAL A 11 -3.105 9.852 1.274 1.00 2.44 H new ATOM 0 HG12 VAL A 11 -4.154 8.571 1.926 1.00 2.44 H new ATOM 0 HG13 VAL A 11 -2.475 8.198 1.468 1.00 2.44 H new ATOM 0 HG21 VAL A 11 -2.509 9.877 -1.121 1.00 12.43 H new ATOM 0 HG22 VAL A 11 -1.853 8.225 -1.030 1.00 12.43 H new ATOM 0 HG23 VAL A 11 -3.123 8.615 -2.215 1.00 12.43 H new ATOM 143 N VAL A 12 -5.587 5.543 1.060 1.00 12.21 N ATOM 144 CA VAL A 12 -6.798 5.165 1.770 1.00 51.53 C ATOM 145 C VAL A 12 -6.676 5.431 3.261 1.00 64.22 C ATOM 146 O VAL A 12 -5.883 4.795 3.951 1.00 52.11 O ATOM 147 CB VAL A 12 -7.121 3.675 1.557 1.00 72.12 C ATOM 148 CG1 VAL A 12 -8.543 3.374 1.994 1.00 64.02 C ATOM 149 CG2 VAL A 12 -6.909 3.282 0.102 1.00 65.23 C ATOM 0 H VAL A 12 -4.844 4.845 1.092 1.00 12.21 H new ATOM 0 HA VAL A 12 -7.604 5.776 1.364 1.00 51.53 H new ATOM 0 HB VAL A 12 -6.441 3.083 2.170 1.00 72.12 H new ATOM 0 HG11 VAL A 12 -8.756 2.317 1.837 1.00 64.02 H new ATOM 0 HG12 VAL A 12 -8.657 3.614 3.051 1.00 64.02 H new ATOM 0 HG13 VAL A 12 -9.239 3.975 1.408 1.00 64.02 H new ATOM 0 HG21 VAL A 12 -7.143 2.225 -0.027 1.00 65.23 H new ATOM 0 HG22 VAL A 12 -7.562 3.879 -0.535 1.00 65.23 H new ATOM 0 HG23 VAL A 12 -5.870 3.460 -0.175 1.00 65.23 H new ATOM 159 N VAL A 13 -7.478 6.363 3.757 1.00 73.01 N ATOM 160 CA VAL A 13 -7.465 6.694 5.172 1.00 12.41 C ATOM 161 C VAL A 13 -8.160 5.601 5.971 1.00 65.31 C ATOM 162 O VAL A 13 -8.857 4.760 5.404 1.00 22.01 O ATOM 163 CB VAL A 13 -8.161 8.040 5.445 1.00 70.44 C ATOM 164 CG1 VAL A 13 -7.302 9.195 4.954 1.00 61.55 C ATOM 165 CG2 VAL A 13 -9.535 8.073 4.792 1.00 24.13 C ATOM 0 H VAL A 13 -8.143 6.901 3.201 1.00 73.01 H new ATOM 0 HA VAL A 13 -6.423 6.776 5.480 1.00 12.41 H new ATOM 0 HB VAL A 13 -8.293 8.148 6.522 1.00 70.44 H new ATOM 0 HG11 VAL A 13 -7.810 10.138 5.156 1.00 61.55 H new ATOM 0 HG12 VAL A 13 -6.343 9.182 5.473 1.00 61.55 H new ATOM 0 HG13 VAL A 13 -7.136 9.095 3.881 1.00 61.55 H new ATOM 0 HG21 VAL A 13 -10.012 9.032 4.996 1.00 24.13 H new ATOM 0 HG22 VAL A 13 -9.429 7.942 3.715 1.00 24.13 H new ATOM 0 HG23 VAL A 13 -10.150 7.269 5.197 1.00 24.13 H new ATOM 175 N ALA A 14 -7.981 5.614 7.287 1.00 50.31 N ATOM 176 CA ALA A 14 -8.610 4.616 8.143 1.00 20.23 C ATOM 177 C ALA A 14 -10.114 4.553 7.891 1.00 61.22 C ATOM 178 O ALA A 14 -10.762 3.546 8.179 1.00 75.33 O ATOM 179 CB ALA A 14 -8.329 4.921 9.605 1.00 3.45 C ATOM 0 H ALA A 14 -7.410 6.299 7.781 1.00 50.31 H new ATOM 0 HA ALA A 14 -8.184 3.642 7.901 1.00 20.23 H new ATOM 0 HB1 ALA A 14 -8.805 4.167 10.232 1.00 3.45 H new ATOM 0 HB2 ALA A 14 -7.253 4.910 9.779 1.00 3.45 H new ATOM 0 HB3 ALA A 14 -8.727 5.905 9.855 1.00 3.45 H new ATOM 185 N LYS A 15 -10.662 5.638 7.349 1.00 73.33 N ATOM 186 CA LYS A 15 -12.083 5.716 7.053 1.00 2.31 C ATOM 187 C LYS A 15 -12.476 4.720 5.962 1.00 0.43 C ATOM 188 O LYS A 15 -13.561 4.141 6.008 1.00 73.50 O ATOM 189 CB LYS A 15 -12.446 7.145 6.632 1.00 53.11 C ATOM 190 CG LYS A 15 -13.770 7.257 5.893 1.00 42.31 C ATOM 191 CD LYS A 15 -14.564 8.472 6.346 1.00 3.33 C ATOM 192 CE LYS A 15 -14.411 9.631 5.375 1.00 2.15 C ATOM 193 NZ LYS A 15 -12.981 9.975 5.140 1.00 24.30 N ATOM 0 H LYS A 15 -10.137 6.478 7.106 1.00 73.33 H new ATOM 0 HA LYS A 15 -12.638 5.456 7.954 1.00 2.31 H new ATOM 0 HB2 LYS A 15 -12.484 7.776 7.520 1.00 53.11 H new ATOM 0 HB3 LYS A 15 -11.653 7.537 5.996 1.00 53.11 H new ATOM 0 HG2 LYS A 15 -13.584 7.322 4.821 1.00 42.31 H new ATOM 0 HG3 LYS A 15 -14.358 6.355 6.060 1.00 42.31 H new ATOM 0 HD2 LYS A 15 -15.618 8.207 6.435 1.00 3.33 H new ATOM 0 HD3 LYS A 15 -14.228 8.779 7.336 1.00 3.33 H new ATOM 0 HE2 LYS A 15 -14.883 9.374 4.427 1.00 2.15 H new ATOM 0 HE3 LYS A 15 -14.935 10.503 5.766 1.00 2.15 H new ATOM 0 HZ1 LYS A 15 -12.922 10.851 4.583 1.00 24.30 H new ATOM 0 HZ2 LYS A 15 -12.502 10.113 6.053 1.00 24.30 H new ATOM 0 HZ3 LYS A 15 -12.519 9.202 4.620 1.00 24.30 H new ATOM 207 N ASN A 16 -11.599 4.527 4.976 1.00 62.45 N ATOM 208 CA ASN A 16 -11.893 3.600 3.884 1.00 24.10 C ATOM 209 C ASN A 16 -10.963 2.396 3.879 1.00 13.24 C ATOM 210 O ASN A 16 -11.226 1.414 3.195 1.00 70.35 O ATOM 211 CB ASN A 16 -11.828 4.287 2.522 1.00 75.23 C ATOM 212 CG ASN A 16 -11.906 5.789 2.602 1.00 52.33 C ATOM 213 OD1 ASN A 16 -12.943 6.362 2.936 1.00 74.31 O ATOM 214 ND2 ASN A 16 -10.799 6.428 2.288 1.00 72.22 N ATOM 0 H ASN A 16 -10.694 4.992 4.911 1.00 62.45 H new ATOM 0 HA ASN A 16 -12.911 3.252 4.061 1.00 24.10 H new ATOM 0 HB2 ASN A 16 -10.899 4.005 2.026 1.00 75.23 H new ATOM 0 HB3 ASN A 16 -12.645 3.921 1.900 1.00 75.23 H new ATOM 0 HD21 ASN A 16 -10.773 7.447 2.315 1.00 72.22 H new ATOM 0 HD22 ASN A 16 -9.967 5.904 2.018 1.00 72.22 H new ATOM 221 N TYR A 17 -9.875 2.463 4.631 1.00 73.13 N ATOM 222 CA TYR A 17 -8.938 1.359 4.683 1.00 31.51 C ATOM 223 C TYR A 17 -9.657 0.046 5.014 1.00 30.21 C ATOM 224 O TYR A 17 -9.178 -1.036 4.680 1.00 22.14 O ATOM 225 CB TYR A 17 -7.838 1.668 5.697 1.00 10.24 C ATOM 226 CG TYR A 17 -7.431 0.489 6.549 1.00 54.51 C ATOM 227 CD1 TYR A 17 -6.617 -0.508 6.038 1.00 60.52 C ATOM 228 CD2 TYR A 17 -7.880 0.364 7.857 1.00 41.43 C ATOM 229 CE1 TYR A 17 -6.257 -1.597 6.801 1.00 61.12 C ATOM 230 CE2 TYR A 17 -7.523 -0.721 8.632 1.00 53.20 C ATOM 231 CZ TYR A 17 -6.711 -1.700 8.100 1.00 1.23 C ATOM 232 OH TYR A 17 -6.356 -2.784 8.868 1.00 64.43 O ATOM 0 H TYR A 17 -9.623 3.265 5.208 1.00 73.13 H new ATOM 0 HA TYR A 17 -8.478 1.234 3.703 1.00 31.51 H new ATOM 0 HB2 TYR A 17 -6.961 2.036 5.164 1.00 10.24 H new ATOM 0 HB3 TYR A 17 -8.176 2.473 6.349 1.00 10.24 H new ATOM 0 HD1 TYR A 17 -6.258 -0.430 5.022 1.00 60.52 H new ATOM 0 HD2 TYR A 17 -8.519 1.128 8.275 1.00 41.43 H new ATOM 0 HE1 TYR A 17 -5.623 -2.366 6.385 1.00 61.12 H new ATOM 0 HE2 TYR A 17 -7.878 -0.803 9.649 1.00 53.20 H new ATOM 0 HH TYR A 17 -5.737 -2.498 9.572 1.00 64.43 H new ATOM 242 N ASN A 18 -10.816 0.149 5.653 1.00 10.22 N ATOM 243 CA ASN A 18 -11.598 -1.026 6.001 1.00 34.50 C ATOM 244 C ASN A 18 -12.480 -1.452 4.828 1.00 51.55 C ATOM 245 O ASN A 18 -13.214 -2.436 4.917 1.00 73.34 O ATOM 246 CB ASN A 18 -12.462 -0.747 7.233 1.00 33.25 C ATOM 247 CG ASN A 18 -11.691 -0.904 8.528 1.00 43.31 C ATOM 248 OD1 ASN A 18 -11.673 -1.979 9.128 1.00 72.43 O ATOM 249 ND2 ASN A 18 -11.048 0.172 8.968 1.00 21.11 N ATOM 0 H ASN A 18 -11.233 1.035 5.940 1.00 10.22 H new ATOM 0 HA ASN A 18 -10.909 -1.838 6.232 1.00 34.50 H new ATOM 0 HB2 ASN A 18 -12.861 0.265 7.172 1.00 33.25 H new ATOM 0 HB3 ASN A 18 -13.315 -1.426 7.237 1.00 33.25 H new ATOM 0 HD21 ASN A 18 -10.512 0.127 9.835 1.00 21.11 H new ATOM 0 HD22 ASN A 18 -11.090 1.043 8.439 1.00 21.11 H new ATOM 256 N GLU A 19 -12.405 -0.703 3.727 1.00 74.43 N ATOM 257 CA GLU A 19 -13.190 -1.009 2.538 1.00 71.35 C ATOM 258 C GLU A 19 -12.280 -1.246 1.342 1.00 43.22 C ATOM 259 O GLU A 19 -12.365 -2.269 0.662 1.00 73.12 O ATOM 260 CB GLU A 19 -14.185 0.126 2.256 1.00 22.30 C ATOM 261 CG GLU A 19 -13.683 1.246 1.364 1.00 32.11 C ATOM 262 CD GLU A 19 -14.761 2.266 1.051 1.00 63.10 C ATOM 263 OE1 GLU A 19 -15.612 2.519 1.930 1.00 3.41 O ATOM 264 OE2 GLU A 19 -14.755 2.810 -0.073 1.00 13.41 O ATOM 0 H GLU A 19 -11.808 0.119 3.637 1.00 74.43 H new ATOM 0 HA GLU A 19 -13.754 -1.925 2.716 1.00 71.35 H new ATOM 0 HB2 GLU A 19 -15.076 -0.304 1.798 1.00 22.30 H new ATOM 0 HB3 GLU A 19 -14.493 0.557 3.209 1.00 22.30 H new ATOM 0 HG2 GLU A 19 -12.845 1.745 1.850 1.00 32.11 H new ATOM 0 HG3 GLU A 19 -13.306 0.823 0.433 1.00 32.11 H new ATOM 271 N ILE A 20 -11.421 -0.275 1.098 1.00 42.00 N ATOM 272 CA ILE A 20 -10.477 -0.323 -0.015 1.00 52.51 C ATOM 273 C ILE A 20 -9.324 -1.290 0.251 1.00 35.23 C ATOM 274 O ILE A 20 -8.957 -2.080 -0.619 1.00 61.03 O ATOM 275 CB ILE A 20 -9.883 1.067 -0.307 1.00 24.15 C ATOM 276 CG1 ILE A 20 -10.992 2.131 -0.354 1.00 54.14 C ATOM 277 CG2 ILE A 20 -9.083 1.041 -1.603 1.00 31.52 C ATOM 278 CD1 ILE A 20 -11.539 2.407 -1.739 1.00 65.13 C ATOM 0 H ILE A 20 -11.354 0.572 1.663 1.00 42.00 H new ATOM 0 HA ILE A 20 -11.047 -0.672 -0.876 1.00 52.51 H new ATOM 0 HB ILE A 20 -9.203 1.334 0.502 1.00 24.15 H new ATOM 0 HG12 ILE A 20 -11.812 1.812 0.290 1.00 54.14 H new ATOM 0 HG13 ILE A 20 -10.604 3.061 0.062 1.00 54.14 H new ATOM 0 HG21 ILE A 20 -8.670 2.031 -1.795 1.00 31.52 H new ATOM 0 HG22 ILE A 20 -8.271 0.320 -1.515 1.00 31.52 H new ATOM 0 HG23 ILE A 20 -9.735 0.754 -2.428 1.00 31.52 H new ATOM 0 HD11 ILE A 20 -12.316 3.169 -1.678 1.00 65.13 H new ATOM 0 HD12 ILE A 20 -10.734 2.759 -2.384 1.00 65.13 H new ATOM 0 HD13 ILE A 20 -11.961 1.491 -2.153 1.00 65.13 H new ATOM 290 N VAL A 21 -8.752 -1.223 1.451 1.00 13.15 N ATOM 291 CA VAL A 21 -7.642 -2.091 1.814 1.00 74.31 C ATOM 292 C VAL A 21 -8.154 -3.402 2.377 1.00 32.11 C ATOM 293 O VAL A 21 -7.459 -4.416 2.365 1.00 30.43 O ATOM 294 CB VAL A 21 -6.741 -1.419 2.862 1.00 21.11 C ATOM 295 CG1 VAL A 21 -5.611 -2.346 3.283 1.00 12.14 C ATOM 296 CG2 VAL A 21 -6.203 -0.101 2.330 1.00 4.12 C ATOM 0 H VAL A 21 -9.041 -0.577 2.185 1.00 13.15 H new ATOM 0 HA VAL A 21 -7.064 -2.281 0.910 1.00 74.31 H new ATOM 0 HB VAL A 21 -7.340 -1.208 3.748 1.00 21.11 H new ATOM 0 HG11 VAL A 21 -4.988 -1.847 4.025 1.00 12.14 H new ATOM 0 HG12 VAL A 21 -6.028 -3.256 3.713 1.00 12.14 H new ATOM 0 HG13 VAL A 21 -5.006 -2.600 2.413 1.00 12.14 H new ATOM 0 HG21 VAL A 21 -5.567 0.363 3.084 1.00 4.12 H new ATOM 0 HG22 VAL A 21 -5.621 -0.284 1.426 1.00 4.12 H new ATOM 0 HG23 VAL A 21 -7.035 0.564 2.098 1.00 4.12 H new ATOM 306 N LEU A 22 -9.373 -3.364 2.874 1.00 62.02 N ATOM 307 CA LEU A 22 -9.998 -4.530 3.454 1.00 15.22 C ATOM 308 C LEU A 22 -10.971 -5.159 2.464 1.00 41.35 C ATOM 309 O LEU A 22 -11.890 -5.885 2.843 1.00 65.21 O ATOM 310 CB LEU A 22 -10.710 -4.108 4.731 1.00 73.24 C ATOM 311 CG LEU A 22 -10.864 -5.176 5.828 1.00 62.35 C ATOM 312 CD1 LEU A 22 -12.316 -5.286 6.265 1.00 60.20 C ATOM 313 CD2 LEU A 22 -10.343 -6.535 5.374 1.00 13.10 C ATOM 0 H LEU A 22 -9.955 -2.526 2.886 1.00 62.02 H new ATOM 0 HA LEU A 22 -9.245 -5.281 3.691 1.00 15.22 H new ATOM 0 HB2 LEU A 22 -10.171 -3.261 5.156 1.00 73.24 H new ATOM 0 HB3 LEU A 22 -11.704 -3.751 4.463 1.00 73.24 H new ATOM 0 HG LEU A 22 -10.260 -4.859 6.678 1.00 62.35 H new ATOM 0 HD11 LEU A 22 -12.406 -6.046 7.041 1.00 60.20 H new ATOM 0 HD12 LEU A 22 -12.652 -4.326 6.657 1.00 60.20 H new ATOM 0 HD13 LEU A 22 -12.933 -5.565 5.411 1.00 60.20 H new ATOM 0 HD21 LEU A 22 -10.470 -7.260 6.178 1.00 13.10 H new ATOM 0 HD22 LEU A 22 -10.900 -6.864 4.497 1.00 13.10 H new ATOM 0 HD23 LEU A 22 -9.285 -6.454 5.123 1.00 13.10 H new ATOM 325 N ASP A 23 -10.753 -4.868 1.186 1.00 73.33 N ATOM 326 CA ASP A 23 -11.598 -5.397 0.123 1.00 10.24 C ATOM 327 C ASP A 23 -11.133 -6.790 -0.296 1.00 65.21 C ATOM 328 O ASP A 23 -9.971 -7.148 -0.105 1.00 42.23 O ATOM 329 CB ASP A 23 -11.583 -4.456 -1.084 1.00 34.23 C ATOM 330 CG ASP A 23 -12.962 -4.259 -1.681 1.00 41.32 C ATOM 331 OD1 ASP A 23 -13.692 -5.261 -1.833 1.00 43.53 O ATOM 332 OD2 ASP A 23 -13.313 -3.103 -1.997 1.00 23.33 O ATOM 0 H ASP A 23 -9.996 -4.267 0.861 1.00 73.33 H new ATOM 0 HA ASP A 23 -12.617 -5.472 0.503 1.00 10.24 H new ATOM 0 HB2 ASP A 23 -11.179 -3.489 -0.783 1.00 34.23 H new ATOM 0 HB3 ASP A 23 -10.914 -4.857 -1.846 1.00 34.23 H new ATOM 337 N ASP A 24 -12.046 -7.572 -0.864 1.00 43.30 N ATOM 338 CA ASP A 24 -11.724 -8.926 -1.303 1.00 4.41 C ATOM 339 C ASP A 24 -11.847 -9.064 -2.820 1.00 13.13 C ATOM 340 O ASP A 24 -12.030 -10.166 -3.336 1.00 73.32 O ATOM 341 CB ASP A 24 -12.642 -9.935 -0.612 1.00 72.31 C ATOM 342 CG ASP A 24 -14.092 -9.785 -1.030 1.00 44.42 C ATOM 343 OD1 ASP A 24 -14.389 -9.989 -2.226 1.00 4.20 O ATOM 344 OD2 ASP A 24 -14.930 -9.463 -0.162 1.00 54.41 O ATOM 0 H ASP A 24 -13.013 -7.292 -1.031 1.00 43.30 H new ATOM 0 HA ASP A 24 -10.689 -9.130 -1.028 1.00 4.41 H new ATOM 0 HB2 ASP A 24 -12.304 -10.945 -0.842 1.00 72.31 H new ATOM 0 HB3 ASP A 24 -12.564 -9.811 0.468 1.00 72.31 H new ATOM 349 N THR A 25 -11.746 -7.944 -3.529 1.00 53.34 N ATOM 350 CA THR A 25 -11.846 -7.953 -4.984 1.00 13.33 C ATOM 351 C THR A 25 -10.463 -7.997 -5.624 1.00 21.11 C ATOM 352 O THR A 25 -10.246 -8.694 -6.615 1.00 50.55 O ATOM 353 CB THR A 25 -12.608 -6.719 -5.471 1.00 15.52 C ATOM 354 OG1 THR A 25 -12.551 -6.620 -6.883 1.00 52.32 O ATOM 355 CG2 THR A 25 -12.077 -5.423 -4.898 1.00 12.41 C ATOM 0 H THR A 25 -11.595 -7.021 -3.121 1.00 53.34 H new ATOM 0 HA THR A 25 -12.392 -8.849 -5.281 1.00 13.33 H new ATOM 0 HB THR A 25 -13.633 -6.857 -5.126 1.00 15.52 H new ATOM 0 HG1 THR A 25 -13.045 -5.826 -7.175 1.00 52.32 H new ATOM 0 HG21 THR A 25 -12.662 -4.588 -5.284 1.00 12.41 H new ATOM 0 HG22 THR A 25 -12.153 -5.448 -3.811 1.00 12.41 H new ATOM 0 HG23 THR A 25 -11.033 -5.299 -5.186 1.00 12.41 H new ATOM 363 N LYS A 26 -9.530 -7.246 -5.050 1.00 64.34 N ATOM 364 CA LYS A 26 -8.163 -7.193 -5.559 1.00 52.34 C ATOM 365 C LYS A 26 -7.167 -7.124 -4.408 1.00 41.14 C ATOM 366 O LYS A 26 -7.545 -6.866 -3.265 1.00 70.12 O ATOM 367 CB LYS A 26 -7.978 -5.980 -6.476 1.00 43.41 C ATOM 368 CG LYS A 26 -9.180 -5.684 -7.360 1.00 45.11 C ATOM 369 CD LYS A 26 -9.164 -4.247 -7.857 1.00 24.03 C ATOM 370 CE LYS A 26 -9.583 -3.276 -6.766 1.00 22.42 C ATOM 371 NZ LYS A 26 -10.059 -1.981 -7.327 1.00 4.32 N ATOM 0 H LYS A 26 -9.695 -6.663 -4.229 1.00 64.34 H new ATOM 0 HA LYS A 26 -7.979 -8.102 -6.132 1.00 52.34 H new ATOM 0 HB2 LYS A 26 -7.766 -5.104 -5.864 1.00 43.41 H new ATOM 0 HB3 LYS A 26 -7.106 -6.146 -7.109 1.00 43.41 H new ATOM 0 HG2 LYS A 26 -9.184 -6.365 -8.211 1.00 45.11 H new ATOM 0 HG3 LYS A 26 -10.098 -5.867 -6.801 1.00 45.11 H new ATOM 0 HD2 LYS A 26 -8.163 -3.993 -8.207 1.00 24.03 H new ATOM 0 HD3 LYS A 26 -9.835 -4.149 -8.710 1.00 24.03 H new ATOM 0 HE2 LYS A 26 -10.375 -3.724 -6.166 1.00 22.42 H new ATOM 0 HE3 LYS A 26 -8.741 -3.095 -6.098 1.00 22.42 H new ATOM 0 HZ1 LYS A 26 -10.335 -1.347 -6.550 1.00 4.32 H new ATOM 0 HZ2 LYS A 26 -9.296 -1.540 -7.879 1.00 4.32 H new ATOM 0 HZ3 LYS A 26 -10.879 -2.150 -7.944 1.00 4.32 H new ATOM 385 N ASP A 27 -5.891 -7.341 -4.712 1.00 24.42 N ATOM 386 CA ASP A 27 -4.854 -7.285 -3.695 1.00 22.11 C ATOM 387 C ASP A 27 -4.523 -5.833 -3.382 1.00 12.42 C ATOM 388 O ASP A 27 -4.187 -5.057 -4.276 1.00 4.03 O ATOM 389 CB ASP A 27 -3.602 -8.029 -4.162 1.00 1.12 C ATOM 390 CG ASP A 27 -3.820 -9.527 -4.256 1.00 23.20 C ATOM 391 OD1 ASP A 27 -4.991 -9.959 -4.246 1.00 61.20 O ATOM 392 OD2 ASP A 27 -2.817 -10.267 -4.341 1.00 44.20 O ATOM 0 H ASP A 27 -5.554 -7.556 -5.651 1.00 24.42 H new ATOM 0 HA ASP A 27 -5.219 -7.771 -2.790 1.00 22.11 H new ATOM 0 HB2 ASP A 27 -3.298 -7.647 -5.137 1.00 1.12 H new ATOM 0 HB3 ASP A 27 -2.784 -7.826 -3.471 1.00 1.12 H new ATOM 397 N VAL A 28 -4.645 -5.460 -2.117 1.00 13.21 N ATOM 398 CA VAL A 28 -4.380 -4.089 -1.706 1.00 73.13 C ATOM 399 C VAL A 28 -3.206 -4.002 -0.738 1.00 22.42 C ATOM 400 O VAL A 28 -3.254 -4.540 0.368 1.00 22.43 O ATOM 401 CB VAL A 28 -5.622 -3.458 -1.047 1.00 31.52 C ATOM 402 CG1 VAL A 28 -5.433 -1.961 -0.864 1.00 22.12 C ATOM 403 CG2 VAL A 28 -6.872 -3.747 -1.868 1.00 74.34 C ATOM 0 H VAL A 28 -4.924 -6.084 -1.360 1.00 13.21 H new ATOM 0 HA VAL A 28 -4.127 -3.537 -2.612 1.00 73.13 H new ATOM 0 HB VAL A 28 -5.750 -3.907 -0.062 1.00 31.52 H new ATOM 0 HG11 VAL A 28 -6.322 -1.536 -0.397 1.00 22.12 H new ATOM 0 HG12 VAL A 28 -4.567 -1.779 -0.228 1.00 22.12 H new ATOM 0 HG13 VAL A 28 -5.275 -1.493 -1.836 1.00 22.12 H new ATOM 0 HG21 VAL A 28 -7.737 -3.293 -1.385 1.00 74.34 H new ATOM 0 HG22 VAL A 28 -6.754 -3.331 -2.869 1.00 74.34 H new ATOM 0 HG23 VAL A 28 -7.020 -4.825 -1.938 1.00 74.34 H new ATOM 413 N LEU A 29 -2.158 -3.302 -1.160 1.00 22.35 N ATOM 414 CA LEU A 29 -0.971 -3.118 -0.333 1.00 32.45 C ATOM 415 C LEU A 29 -1.065 -1.800 0.415 1.00 41.43 C ATOM 416 O LEU A 29 -0.908 -0.733 -0.174 1.00 13.44 O ATOM 417 CB LEU A 29 0.295 -3.133 -1.200 1.00 2.32 C ATOM 418 CG LEU A 29 1.427 -4.046 -0.713 1.00 24.12 C ATOM 419 CD1 LEU A 29 2.753 -3.614 -1.318 1.00 50.44 C ATOM 420 CD2 LEU A 29 1.513 -4.045 0.808 1.00 4.34 C ATOM 0 H LEU A 29 -2.107 -2.851 -2.074 1.00 22.35 H new ATOM 0 HA LEU A 29 -0.914 -3.938 0.383 1.00 32.45 H new ATOM 0 HB2 LEU A 29 0.018 -3.437 -2.209 1.00 2.32 H new ATOM 0 HB3 LEU A 29 0.678 -2.115 -1.267 1.00 2.32 H new ATOM 0 HG LEU A 29 1.207 -5.062 -1.040 1.00 24.12 H new ATOM 0 HD11 LEU A 29 3.546 -4.272 -0.963 1.00 50.44 H new ATOM 0 HD12 LEU A 29 2.693 -3.672 -2.405 1.00 50.44 H new ATOM 0 HD13 LEU A 29 2.972 -2.588 -1.021 1.00 50.44 H new ATOM 0 HD21 LEU A 29 2.324 -4.700 1.127 1.00 4.34 H new ATOM 0 HD22 LEU A 29 1.705 -3.032 1.161 1.00 4.34 H new ATOM 0 HD23 LEU A 29 0.572 -4.402 1.226 1.00 4.34 H new ATOM 432 N ILE A 30 -1.328 -1.871 1.713 1.00 72.20 N ATOM 433 CA ILE A 30 -1.445 -0.656 2.512 1.00 41.13 C ATOM 434 C ILE A 30 -0.152 -0.363 3.262 1.00 41.14 C ATOM 435 O ILE A 30 0.411 -1.241 3.915 1.00 2.42 O ATOM 436 CB ILE A 30 -2.624 -0.732 3.507 1.00 12.14 C ATOM 437 CG1 ILE A 30 -3.248 0.664 3.685 1.00 44.24 C ATOM 438 CG2 ILE A 30 -2.167 -1.314 4.843 1.00 55.33 C ATOM 439 CD1 ILE A 30 -3.946 0.869 5.006 1.00 63.54 C ATOM 0 H ILE A 30 -1.463 -2.740 2.229 1.00 72.20 H new ATOM 0 HA ILE A 30 -1.641 0.159 1.816 1.00 41.13 H new ATOM 0 HB ILE A 30 -3.387 -1.399 3.105 1.00 12.14 H new ATOM 0 HG12 ILE A 30 -2.465 1.415 3.581 1.00 44.24 H new ATOM 0 HG13 ILE A 30 -3.962 0.835 2.880 1.00 44.24 H new ATOM 0 HG21 ILE A 30 -3.013 -1.359 5.529 1.00 55.33 H new ATOM 0 HG22 ILE A 30 -1.773 -2.318 4.687 1.00 55.33 H new ATOM 0 HG23 ILE A 30 -1.388 -0.681 5.268 1.00 55.33 H new ATOM 0 HD11 ILE A 30 -4.356 1.878 5.048 1.00 63.54 H new ATOM 0 HD12 ILE A 30 -4.754 0.144 5.107 1.00 63.54 H new ATOM 0 HD13 ILE A 30 -3.233 0.733 5.819 1.00 63.54 H new ATOM 451 N GLU A 31 0.317 0.874 3.158 1.00 61.25 N ATOM 452 CA GLU A 31 1.550 1.274 3.823 1.00 30.23 C ATOM 453 C GLU A 31 1.328 2.437 4.787 1.00 70.24 C ATOM 454 O GLU A 31 1.351 3.600 4.386 1.00 52.11 O ATOM 455 CB GLU A 31 2.608 1.656 2.787 1.00 53.44 C ATOM 456 CG GLU A 31 3.900 2.179 3.396 1.00 31.40 C ATOM 457 CD GLU A 31 3.975 3.695 3.400 1.00 14.42 C ATOM 458 OE1 GLU A 31 3.156 4.334 2.706 1.00 42.43 O ATOM 459 OE2 GLU A 31 4.854 4.242 4.097 1.00 41.43 O ATOM 0 H GLU A 31 -0.136 1.615 2.622 1.00 61.25 H new ATOM 0 HA GLU A 31 1.897 0.420 4.405 1.00 30.23 H new ATOM 0 HB2 GLU A 31 2.833 0.784 2.172 1.00 53.44 H new ATOM 0 HB3 GLU A 31 2.196 2.416 2.123 1.00 53.44 H new ATOM 0 HG2 GLU A 31 3.989 1.812 4.419 1.00 31.40 H new ATOM 0 HG3 GLU A 31 4.747 1.779 2.839 1.00 31.40 H new ATOM 466 N PHE A 32 1.149 2.115 6.066 1.00 61.02 N ATOM 467 CA PHE A 32 0.966 3.132 7.095 1.00 65.22 C ATOM 468 C PHE A 32 2.202 4.014 7.162 1.00 74.45 C ATOM 469 O PHE A 32 3.325 3.510 7.102 1.00 1.24 O ATOM 470 CB PHE A 32 0.737 2.482 8.459 1.00 73.53 C ATOM 471 CG PHE A 32 -0.344 1.439 8.462 1.00 44.52 C ATOM 472 CD1 PHE A 32 -0.050 0.115 8.181 1.00 75.21 C ATOM 473 CD2 PHE A 32 -1.653 1.786 8.747 1.00 34.11 C ATOM 474 CE1 PHE A 32 -1.044 -0.845 8.184 1.00 33.35 C ATOM 475 CE2 PHE A 32 -2.652 0.831 8.751 1.00 23.20 C ATOM 476 CZ PHE A 32 -2.347 -0.486 8.469 1.00 52.32 C ATOM 0 H PHE A 32 1.127 1.156 6.413 1.00 61.02 H new ATOM 0 HA PHE A 32 0.093 3.732 6.839 1.00 65.22 H new ATOM 0 HB2 PHE A 32 1.669 2.027 8.795 1.00 73.53 H new ATOM 0 HB3 PHE A 32 0.483 3.257 9.182 1.00 73.53 H new ATOM 0 HD1 PHE A 32 0.967 -0.170 7.957 1.00 75.21 H new ATOM 0 HD2 PHE A 32 -1.897 2.815 8.969 1.00 34.11 H new ATOM 0 HE1 PHE A 32 -0.802 -1.874 7.964 1.00 33.35 H new ATOM 0 HE2 PHE A 32 -3.670 1.114 8.974 1.00 23.20 H new ATOM 0 HZ PHE A 32 -3.126 -1.234 8.471 1.00 52.32 H new ATOM 486 N TYR A 33 1.998 5.324 7.279 1.00 41.11 N ATOM 487 CA TYR A 33 3.118 6.258 7.339 1.00 65.10 C ATOM 488 C TYR A 33 2.763 7.533 8.095 1.00 0.14 C ATOM 489 O TYR A 33 1.717 7.632 8.736 1.00 21.44 O ATOM 490 CB TYR A 33 3.570 6.624 5.925 1.00 55.23 C ATOM 491 CG TYR A 33 2.526 7.386 5.138 1.00 21.32 C ATOM 492 CD1 TYR A 33 1.365 6.762 4.701 1.00 44.32 C ATOM 493 CD2 TYR A 33 2.699 8.732 4.836 1.00 40.24 C ATOM 494 CE1 TYR A 33 0.406 7.455 3.986 1.00 24.31 C ATOM 495 CE2 TYR A 33 1.745 9.432 4.122 1.00 61.35 C ATOM 496 CZ TYR A 33 0.601 8.789 3.699 1.00 73.12 C ATOM 497 OH TYR A 33 -0.351 9.482 2.988 1.00 23.25 O ATOM 0 H TYR A 33 1.077 5.759 7.334 1.00 41.11 H new ATOM 0 HA TYR A 33 3.924 5.759 7.877 1.00 65.10 H new ATOM 0 HB2 TYR A 33 4.478 7.224 5.986 1.00 55.23 H new ATOM 0 HB3 TYR A 33 3.826 5.712 5.386 1.00 55.23 H new ATOM 0 HD1 TYR A 33 1.208 5.717 4.924 1.00 44.32 H new ATOM 0 HD2 TYR A 33 3.594 9.239 5.165 1.00 40.24 H new ATOM 0 HE1 TYR A 33 -0.491 6.954 3.654 1.00 24.31 H new ATOM 0 HE2 TYR A 33 1.895 10.478 3.896 1.00 61.35 H new ATOM 0 HH TYR A 33 -0.061 10.411 2.872 1.00 23.25 H new ATOM 507 N ALA A 34 3.658 8.508 7.991 1.00 72.21 N ATOM 508 CA ALA A 34 3.491 9.804 8.628 1.00 21.32 C ATOM 509 C ALA A 34 3.937 10.905 7.672 1.00 43.41 C ATOM 510 O ALA A 34 4.467 10.623 6.601 1.00 1.30 O ATOM 511 CB ALA A 34 4.294 9.862 9.919 1.00 75.21 C ATOM 0 H ALA A 34 4.524 8.419 7.459 1.00 72.21 H new ATOM 0 HA ALA A 34 2.439 9.952 8.872 1.00 21.32 H new ATOM 0 HB1 ALA A 34 4.161 10.837 10.387 1.00 75.21 H new ATOM 0 HB2 ALA A 34 3.947 9.083 10.598 1.00 75.21 H new ATOM 0 HB3 ALA A 34 5.350 9.707 9.698 1.00 75.21 H new ATOM 517 N PRO A 35 3.748 12.172 8.051 1.00 54.30 N ATOM 518 CA PRO A 35 4.150 13.310 7.236 1.00 5.43 C ATOM 519 C PRO A 35 5.579 13.723 7.545 1.00 35.33 C ATOM 520 O PRO A 35 6.234 14.415 6.766 1.00 62.40 O ATOM 521 CB PRO A 35 3.176 14.384 7.694 1.00 42.25 C ATOM 522 CG PRO A 35 2.966 14.097 9.144 1.00 35.10 C ATOM 523 CD PRO A 35 3.147 12.606 9.319 1.00 41.21 C ATOM 0 HA PRO A 35 4.126 13.112 6.164 1.00 5.43 H new ATOM 0 HB2 PRO A 35 3.585 15.383 7.541 1.00 42.25 H new ATOM 0 HB3 PRO A 35 2.239 14.334 7.139 1.00 42.25 H new ATOM 0 HG2 PRO A 35 3.680 14.649 9.756 1.00 35.10 H new ATOM 0 HG3 PRO A 35 1.970 14.406 9.460 1.00 35.10 H new ATOM 0 HD2 PRO A 35 3.794 12.379 10.166 1.00 41.21 H new ATOM 0 HD3 PRO A 35 2.195 12.107 9.502 1.00 41.21 H new ATOM 531 N TRP A 36 6.038 13.286 8.708 1.00 31.21 N ATOM 532 CA TRP A 36 7.388 13.591 9.181 1.00 75.21 C ATOM 533 C TRP A 36 8.267 12.349 9.190 1.00 62.33 C ATOM 534 O TRP A 36 9.290 12.302 9.872 1.00 1.45 O ATOM 535 CB TRP A 36 7.308 14.158 10.588 1.00 52.43 C ATOM 536 CG TRP A 36 6.647 13.220 11.550 1.00 41.11 C ATOM 537 CD1 TRP A 36 5.309 13.107 11.785 1.00 21.41 C ATOM 538 CD2 TRP A 36 7.287 12.261 12.400 1.00 13.21 C ATOM 539 NE1 TRP A 36 5.072 12.124 12.713 1.00 33.33 N ATOM 540 CE2 TRP A 36 6.272 11.594 13.113 1.00 14.12 C ATOM 541 CE3 TRP A 36 8.618 11.897 12.625 1.00 31.24 C ATOM 542 CZ2 TRP A 36 6.547 10.586 14.034 1.00 12.14 C ATOM 543 CZ3 TRP A 36 8.890 10.898 13.540 1.00 62.31 C ATOM 544 CH2 TRP A 36 7.859 10.252 14.234 1.00 0.12 C ATOM 0 H TRP A 36 5.492 12.713 9.351 1.00 31.21 H new ATOM 0 HA TRP A 36 7.832 14.318 8.501 1.00 75.21 H new ATOM 0 HB2 TRP A 36 8.314 14.386 10.942 1.00 52.43 H new ATOM 0 HB3 TRP A 36 6.757 15.098 10.566 1.00 52.43 H new ATOM 0 HD1 TRP A 36 4.546 13.705 11.309 1.00 21.41 H new ATOM 0 HE1 TRP A 36 4.154 11.835 13.050 1.00 33.33 H new ATOM 0 HE3 TRP A 36 9.419 12.388 12.093 1.00 31.24 H new ATOM 0 HZ2 TRP A 36 5.754 10.086 14.571 1.00 12.14 H new ATOM 0 HZ3 TRP A 36 9.915 10.610 13.723 1.00 62.31 H new ATOM 0 HH2 TRP A 36 8.105 9.474 14.942 1.00 0.12 H new ATOM 555 N CYS A 37 7.851 11.342 8.444 1.00 12.21 N ATOM 556 CA CYS A 37 8.584 10.088 8.374 1.00 73.34 C ATOM 557 C CYS A 37 9.564 10.075 7.208 1.00 74.40 C ATOM 558 O CYS A 37 9.202 10.395 6.077 1.00 21.03 O ATOM 559 CB CYS A 37 7.603 8.926 8.234 1.00 61.20 C ATOM 560 SG CYS A 37 7.910 7.555 9.371 1.00 11.22 S ATOM 0 H CYS A 37 7.005 11.367 7.875 1.00 12.21 H new ATOM 0 HA CYS A 37 9.157 9.982 9.295 1.00 73.34 H new ATOM 0 HB2 CYS A 37 6.591 9.298 8.396 1.00 61.20 H new ATOM 0 HB3 CYS A 37 7.645 8.551 7.211 1.00 61.20 H new ATOM 0 HG CYS A 37 6.805 7.239 9.978 1.00 11.22 H new ATOM 566 N GLY A 38 10.801 9.680 7.483 1.00 73.01 N ATOM 567 CA GLY A 38 11.795 9.610 6.431 1.00 54.25 C ATOM 568 C GLY A 38 11.420 8.582 5.384 1.00 23.12 C ATOM 569 O GLY A 38 11.844 8.671 4.232 1.00 65.32 O ATOM 0 H GLY A 38 11.131 9.409 8.409 1.00 73.01 H new ATOM 0 HA2 GLY A 38 11.900 10.588 5.962 1.00 54.25 H new ATOM 0 HA3 GLY A 38 12.764 9.357 6.861 1.00 54.25 H new ATOM 573 N HIS A 39 10.609 7.606 5.789 1.00 2.33 N ATOM 574 CA HIS A 39 10.158 6.557 4.885 1.00 41.12 C ATOM 575 C HIS A 39 9.109 7.102 3.923 1.00 11.52 C ATOM 576 O HIS A 39 9.188 6.880 2.716 1.00 25.14 O ATOM 577 CB HIS A 39 9.584 5.381 5.677 1.00 52.33 C ATOM 578 CG HIS A 39 10.469 4.922 6.794 1.00 24.32 C ATOM 579 ND1 HIS A 39 11.761 5.373 6.966 1.00 54.12 N ATOM 580 CD2 HIS A 39 10.242 4.046 7.801 1.00 21.12 C ATOM 581 CE1 HIS A 39 12.290 4.794 8.029 1.00 22.32 C ATOM 582 NE2 HIS A 39 11.389 3.985 8.554 1.00 30.33 N ATOM 0 H HIS A 39 10.252 7.523 6.741 1.00 2.33 H new ATOM 0 HA HIS A 39 11.014 6.206 4.309 1.00 41.12 H new ATOM 0 HB2 HIS A 39 8.615 5.668 6.086 1.00 52.33 H new ATOM 0 HB3 HIS A 39 9.409 4.547 4.997 1.00 52.33 H new ATOM 0 HD2 HIS A 39 9.329 3.497 7.979 1.00 21.12 H new ATOM 0 HE1 HIS A 39 13.290 4.955 8.405 1.00 22.32 H new ATOM 0 HE2 HIS A 39 11.523 3.408 9.384 1.00 30.33 H new ATOM 591 N CYS A 40 8.134 7.830 4.460 1.00 60.23 N ATOM 592 CA CYS A 40 7.080 8.418 3.638 1.00 12.10 C ATOM 593 C CYS A 40 7.679 9.287 2.535 1.00 73.23 C ATOM 594 O CYS A 40 7.048 9.527 1.505 1.00 34.22 O ATOM 595 CB CYS A 40 6.119 9.245 4.501 1.00 63.34 C ATOM 596 SG CYS A 40 6.675 10.935 4.844 1.00 13.53 S ATOM 0 H CYS A 40 8.052 8.027 5.457 1.00 60.23 H new ATOM 0 HA CYS A 40 6.519 7.606 3.174 1.00 12.10 H new ATOM 0 HB2 CYS A 40 5.151 9.290 4.002 1.00 63.34 H new ATOM 0 HB3 CYS A 40 5.966 8.728 5.448 1.00 63.34 H new ATOM 0 HG CYS A 40 7.829 10.899 5.441 1.00 13.53 H new ATOM 602 N LYS A 41 8.909 9.740 2.756 1.00 21.23 N ATOM 603 CA LYS A 41 9.610 10.566 1.780 1.00 10.33 C ATOM 604 C LYS A 41 10.491 9.704 0.874 1.00 54.14 C ATOM 605 O LYS A 41 10.919 10.141 -0.194 1.00 74.52 O ATOM 606 CB LYS A 41 10.463 11.616 2.496 1.00 51.31 C ATOM 607 CG LYS A 41 9.699 12.404 3.548 1.00 32.41 C ATOM 608 CD LYS A 41 10.248 13.814 3.697 1.00 32.30 C ATOM 609 CE LYS A 41 11.329 13.880 4.763 1.00 55.12 C ATOM 610 NZ LYS A 41 11.268 15.151 5.537 1.00 20.54 N ATOM 0 H LYS A 41 9.442 9.548 3.604 1.00 21.23 H new ATOM 0 HA LYS A 41 8.868 11.071 1.161 1.00 10.33 H new ATOM 0 HB2 LYS A 41 11.312 11.122 2.969 1.00 51.31 H new ATOM 0 HB3 LYS A 41 10.868 12.308 1.758 1.00 51.31 H new ATOM 0 HG2 LYS A 41 8.645 12.450 3.275 1.00 32.41 H new ATOM 0 HG3 LYS A 41 9.758 11.887 4.506 1.00 32.41 H new ATOM 0 HD2 LYS A 41 10.655 14.150 2.743 1.00 32.30 H new ATOM 0 HD3 LYS A 41 9.438 14.496 3.956 1.00 32.30 H new ATOM 0 HE2 LYS A 41 11.220 13.035 5.443 1.00 55.12 H new ATOM 0 HE3 LYS A 41 12.308 13.787 4.293 1.00 55.12 H new ATOM 0 HZ1 LYS A 41 12.021 15.157 6.254 1.00 20.54 H new ATOM 0 HZ2 LYS A 41 11.397 15.957 4.892 1.00 20.54 H new ATOM 0 HZ3 LYS A 41 10.343 15.228 6.006 1.00 20.54 H new ATOM 624 N ALA A 42 10.747 8.473 1.309 1.00 53.53 N ATOM 625 CA ALA A 42 11.562 7.531 0.550 1.00 63.24 C ATOM 626 C ALA A 42 10.680 6.546 -0.205 1.00 22.20 C ATOM 627 O ALA A 42 11.129 5.869 -1.131 1.00 35.20 O ATOM 628 CB ALA A 42 12.481 6.776 1.490 1.00 71.23 C ATOM 0 H ALA A 42 10.397 8.103 2.193 1.00 53.53 H new ATOM 0 HA ALA A 42 12.158 8.090 -0.172 1.00 63.24 H new ATOM 0 HB1 ALA A 42 13.088 6.073 0.919 1.00 71.23 H new ATOM 0 HB2 ALA A 42 13.132 7.481 2.007 1.00 71.23 H new ATOM 0 HB3 ALA A 42 11.885 6.230 2.221 1.00 71.23 H new ATOM 634 N LEU A 43 9.426 6.466 0.220 1.00 3.15 N ATOM 635 CA LEU A 43 8.448 5.566 -0.377 1.00 50.12 C ATOM 636 C LEU A 43 7.732 6.219 -1.561 1.00 0.15 C ATOM 637 O LEU A 43 7.136 5.539 -2.394 1.00 25.30 O ATOM 638 CB LEU A 43 7.428 5.156 0.681 1.00 20.44 C ATOM 639 CG LEU A 43 7.785 3.892 1.463 1.00 62.22 C ATOM 640 CD1 LEU A 43 8.680 4.227 2.646 1.00 75.32 C ATOM 641 CD2 LEU A 43 6.526 3.180 1.930 1.00 41.04 C ATOM 0 H LEU A 43 9.058 7.024 0.990 1.00 3.15 H new ATOM 0 HA LEU A 43 8.975 4.688 -0.750 1.00 50.12 H new ATOM 0 HB2 LEU A 43 7.306 5.979 1.385 1.00 20.44 H new ATOM 0 HB3 LEU A 43 6.464 5.005 0.196 1.00 20.44 H new ATOM 0 HG LEU A 43 8.333 3.223 0.800 1.00 62.22 H new ATOM 0 HD11 LEU A 43 8.922 3.314 3.189 1.00 75.32 H new ATOM 0 HD12 LEU A 43 9.599 4.690 2.287 1.00 75.32 H new ATOM 0 HD13 LEU A 43 8.161 4.918 3.311 1.00 75.32 H new ATOM 0 HD21 LEU A 43 6.800 2.283 2.485 1.00 41.04 H new ATOM 0 HD22 LEU A 43 5.951 3.844 2.575 1.00 41.04 H new ATOM 0 HD23 LEU A 43 5.923 2.902 1.065 1.00 41.04 H new ATOM 653 N ALA A 44 7.799 7.540 -1.627 1.00 71.13 N ATOM 654 CA ALA A 44 7.167 8.295 -2.703 1.00 14.25 C ATOM 655 C ALA A 44 7.651 7.851 -4.088 1.00 34.31 C ATOM 656 O ALA A 44 6.874 7.846 -5.044 1.00 74.45 O ATOM 657 CB ALA A 44 7.425 9.780 -2.514 1.00 30.41 C ATOM 0 H ALA A 44 8.288 8.117 -0.943 1.00 71.13 H new ATOM 0 HA ALA A 44 6.096 8.097 -2.655 1.00 14.25 H new ATOM 0 HB1 ALA A 44 6.950 10.337 -3.321 1.00 30.41 H new ATOM 0 HB2 ALA A 44 7.012 10.102 -1.558 1.00 30.41 H new ATOM 0 HB3 ALA A 44 8.499 9.967 -2.527 1.00 30.41 H new ATOM 663 N PRO A 45 8.941 7.476 -4.227 1.00 75.14 N ATOM 664 CA PRO A 45 9.508 7.044 -5.508 1.00 70.44 C ATOM 665 C PRO A 45 9.350 5.560 -5.754 1.00 62.41 C ATOM 666 O PRO A 45 9.899 4.991 -6.697 1.00 14.35 O ATOM 667 CB PRO A 45 10.950 7.409 -5.327 1.00 11.31 C ATOM 668 CG PRO A 45 11.227 7.097 -3.901 1.00 74.31 C ATOM 669 CD PRO A 45 9.962 7.444 -3.160 1.00 42.31 C ATOM 0 HA PRO A 45 9.021 7.502 -6.369 1.00 70.44 H new ATOM 0 HB2 PRO A 45 11.593 6.834 -5.993 1.00 11.31 H new ATOM 0 HB3 PRO A 45 11.125 8.462 -5.546 1.00 11.31 H new ATOM 0 HG2 PRO A 45 11.482 6.045 -3.772 1.00 74.31 H new ATOM 0 HG3 PRO A 45 12.071 7.677 -3.529 1.00 74.31 H new ATOM 0 HD2 PRO A 45 9.725 6.701 -2.399 1.00 42.31 H new ATOM 0 HD3 PRO A 45 10.044 8.405 -2.653 1.00 42.31 H new ATOM 677 N LYS A 46 8.543 4.974 -4.918 1.00 20.24 N ATOM 678 CA LYS A 46 8.201 3.566 -5.013 1.00 25.04 C ATOM 679 C LYS A 46 6.703 3.427 -5.052 1.00 42.02 C ATOM 680 O LYS A 46 6.162 2.506 -5.646 1.00 64.24 O ATOM 681 CB LYS A 46 8.736 2.773 -3.822 1.00 30.13 C ATOM 682 CG LYS A 46 7.811 2.798 -2.606 1.00 4.35 C ATOM 683 CD LYS A 46 7.993 1.580 -1.724 1.00 52.40 C ATOM 684 CE LYS A 46 9.236 1.690 -0.859 1.00 65.44 C ATOM 685 NZ LYS A 46 9.046 1.032 0.463 1.00 23.32 N ATOM 0 H LYS A 46 8.094 5.457 -4.140 1.00 20.24 H new ATOM 0 HA LYS A 46 8.655 3.169 -5.921 1.00 25.04 H new ATOM 0 HB2 LYS A 46 8.894 1.738 -4.127 1.00 30.13 H new ATOM 0 HB3 LYS A 46 9.709 3.174 -3.537 1.00 30.13 H new ATOM 0 HG2 LYS A 46 8.004 3.699 -2.023 1.00 4.35 H new ATOM 0 HG3 LYS A 46 6.775 2.851 -2.941 1.00 4.35 H new ATOM 0 HD2 LYS A 46 7.117 1.458 -1.087 1.00 52.40 H new ATOM 0 HD3 LYS A 46 8.061 0.688 -2.346 1.00 52.40 H new ATOM 0 HE2 LYS A 46 10.080 1.233 -1.375 1.00 65.44 H new ATOM 0 HE3 LYS A 46 9.484 2.741 -0.710 1.00 65.44 H new ATOM 0 HZ1 LYS A 46 9.559 1.566 1.193 1.00 23.32 H new ATOM 0 HZ2 LYS A 46 8.033 1.010 0.697 1.00 23.32 H new ATOM 0 HZ3 LYS A 46 9.414 0.060 0.423 1.00 23.32 H new ATOM 699 N TYR A 47 6.039 4.342 -4.372 1.00 61.23 N ATOM 700 CA TYR A 47 4.599 4.301 -4.295 1.00 23.14 C ATOM 701 C TYR A 47 3.965 4.979 -5.499 1.00 2.14 C ATOM 702 O TYR A 47 2.871 4.614 -5.923 1.00 1.03 O ATOM 703 CB TYR A 47 4.112 4.919 -2.986 1.00 43.44 C ATOM 704 CG TYR A 47 3.445 3.911 -2.083 1.00 40.11 C ATOM 705 CD1 TYR A 47 4.133 2.788 -1.649 1.00 74.31 C ATOM 706 CD2 TYR A 47 2.127 4.070 -1.680 1.00 32.01 C ATOM 707 CE1 TYR A 47 3.529 1.851 -0.837 1.00 13.43 C ATOM 708 CE2 TYR A 47 1.513 3.136 -0.869 1.00 25.32 C ATOM 709 CZ TYR A 47 2.218 2.028 -0.450 1.00 43.13 C ATOM 710 OH TYR A 47 1.609 1.093 0.354 1.00 24.45 O ATOM 0 H TYR A 47 6.474 5.116 -3.870 1.00 61.23 H new ATOM 0 HA TYR A 47 4.287 3.257 -4.309 1.00 23.14 H new ATOM 0 HB2 TYR A 47 4.957 5.367 -2.463 1.00 43.44 H new ATOM 0 HB3 TYR A 47 3.411 5.724 -3.207 1.00 43.44 H new ATOM 0 HD1 TYR A 47 5.160 2.645 -1.952 1.00 74.31 H new ATOM 0 HD2 TYR A 47 1.573 4.938 -2.006 1.00 32.01 H new ATOM 0 HE1 TYR A 47 4.080 0.983 -0.506 1.00 13.43 H new ATOM 0 HE2 TYR A 47 0.486 3.273 -0.565 1.00 25.32 H new ATOM 0 HH TYR A 47 0.646 1.081 0.170 1.00 24.45 H new ATOM 720 N GLU A 48 4.665 5.953 -6.064 1.00 24.14 N ATOM 721 CA GLU A 48 4.164 6.654 -7.235 1.00 22.24 C ATOM 722 C GLU A 48 4.528 5.893 -8.503 1.00 54.31 C ATOM 723 O GLU A 48 3.784 5.905 -9.480 1.00 22.41 O ATOM 724 CB GLU A 48 4.729 8.073 -7.299 1.00 13.13 C ATOM 725 CG GLU A 48 4.362 8.929 -6.097 1.00 10.32 C ATOM 726 CD GLU A 48 5.341 10.065 -5.871 1.00 51.13 C ATOM 727 OE1 GLU A 48 6.499 9.950 -6.325 1.00 52.11 O ATOM 728 OE2 GLU A 48 4.950 11.068 -5.239 1.00 72.33 O ATOM 0 H GLU A 48 5.575 6.273 -5.732 1.00 24.14 H new ATOM 0 HA GLU A 48 3.079 6.715 -7.156 1.00 22.24 H new ATOM 0 HB2 GLU A 48 5.815 8.020 -7.379 1.00 13.13 H new ATOM 0 HB3 GLU A 48 4.367 8.559 -8.205 1.00 13.13 H new ATOM 0 HG2 GLU A 48 3.362 9.339 -6.239 1.00 10.32 H new ATOM 0 HG3 GLU A 48 4.326 8.302 -5.206 1.00 10.32 H new ATOM 735 N GLU A 49 5.677 5.225 -8.475 1.00 54.44 N ATOM 736 CA GLU A 49 6.144 4.456 -9.617 1.00 42.11 C ATOM 737 C GLU A 49 5.540 3.061 -9.608 1.00 51.34 C ATOM 738 O GLU A 49 5.129 2.548 -10.644 1.00 33.31 O ATOM 739 CB GLU A 49 7.669 4.377 -9.609 1.00 61.51 C ATOM 740 CG GLU A 49 8.337 5.719 -9.850 1.00 11.24 C ATOM 741 CD GLU A 49 8.630 6.466 -8.565 1.00 61.31 C ATOM 742 OE1 GLU A 49 7.687 6.677 -7.774 1.00 22.31 O ATOM 743 OE2 GLU A 49 9.802 6.842 -8.351 1.00 30.35 O ATOM 0 H GLU A 49 6.302 5.203 -7.669 1.00 54.44 H new ATOM 0 HA GLU A 49 5.823 4.960 -10.529 1.00 42.11 H new ATOM 0 HB2 GLU A 49 8.001 3.980 -8.650 1.00 61.51 H new ATOM 0 HB3 GLU A 49 7.994 3.673 -10.375 1.00 61.51 H new ATOM 0 HG2 GLU A 49 9.268 5.564 -10.396 1.00 11.24 H new ATOM 0 HG3 GLU A 49 7.695 6.331 -10.483 1.00 11.24 H new ATOM 750 N LEU A 50 5.463 2.461 -8.428 1.00 55.33 N ATOM 751 CA LEU A 50 4.881 1.140 -8.292 1.00 62.33 C ATOM 752 C LEU A 50 3.379 1.272 -8.264 1.00 53.01 C ATOM 753 O LEU A 50 2.648 0.492 -8.873 1.00 72.22 O ATOM 754 CB LEU A 50 5.364 0.502 -7.000 1.00 53.34 C ATOM 755 CG LEU A 50 5.268 -1.026 -6.925 1.00 31.31 C ATOM 756 CD1 LEU A 50 3.855 -1.454 -6.564 1.00 73.44 C ATOM 757 CD2 LEU A 50 5.700 -1.665 -8.239 1.00 32.53 C ATOM 0 H LEU A 50 5.796 2.870 -7.555 1.00 55.33 H new ATOM 0 HA LEU A 50 5.181 0.513 -9.132 1.00 62.33 H new ATOM 0 HB2 LEU A 50 6.404 0.788 -6.844 1.00 53.34 H new ATOM 0 HB3 LEU A 50 4.790 0.923 -6.174 1.00 53.34 H new ATOM 0 HG LEU A 50 5.945 -1.369 -6.143 1.00 31.31 H new ATOM 0 HD11 LEU A 50 3.806 -2.542 -6.515 1.00 73.44 H new ATOM 0 HD12 LEU A 50 3.584 -1.035 -5.595 1.00 73.44 H new ATOM 0 HD13 LEU A 50 3.160 -1.093 -7.322 1.00 73.44 H new ATOM 0 HD21 LEU A 50 5.623 -2.749 -8.159 1.00 32.53 H new ATOM 0 HD22 LEU A 50 5.055 -1.313 -9.044 1.00 32.53 H new ATOM 0 HD23 LEU A 50 6.732 -1.390 -8.455 1.00 32.53 H new ATOM 769 N GLY A 51 2.937 2.292 -7.550 1.00 23.21 N ATOM 770 CA GLY A 51 1.522 2.557 -7.440 1.00 32.42 C ATOM 771 C GLY A 51 0.911 2.884 -8.771 1.00 21.41 C ATOM 772 O GLY A 51 -0.157 2.388 -9.121 1.00 20.22 O ATOM 0 H GLY A 51 3.536 2.943 -7.043 1.00 23.21 H new ATOM 0 HA2 GLY A 51 1.021 1.687 -7.014 1.00 32.42 H new ATOM 0 HA3 GLY A 51 1.360 3.387 -6.752 1.00 32.42 H new ATOM 776 N ALA A 52 1.608 3.719 -9.514 1.00 74.32 N ATOM 777 CA ALA A 52 1.162 4.122 -10.829 1.00 34.41 C ATOM 778 C ALA A 52 1.149 2.926 -11.760 1.00 53.51 C ATOM 779 O ALA A 52 0.161 2.659 -12.438 1.00 24.53 O ATOM 780 CB ALA A 52 2.069 5.213 -11.353 1.00 21.31 C ATOM 0 H ALA A 52 2.494 4.134 -9.225 1.00 74.32 H new ATOM 0 HA ALA A 52 0.146 4.513 -10.771 1.00 34.41 H new ATOM 0 HB1 ALA A 52 1.735 5.519 -12.344 1.00 21.31 H new ATOM 0 HB2 ALA A 52 2.036 6.069 -10.679 1.00 21.31 H new ATOM 0 HB3 ALA A 52 3.091 4.839 -11.414 1.00 21.31 H new ATOM 786 N LEU A 53 2.246 2.188 -11.768 1.00 5.04 N ATOM 787 CA LEU A 53 2.340 1.003 -12.604 1.00 63.21 C ATOM 788 C LEU A 53 1.282 -0.010 -12.190 1.00 15.14 C ATOM 789 O LEU A 53 0.789 -0.782 -13.012 1.00 42.51 O ATOM 790 CB LEU A 53 3.733 0.386 -12.506 1.00 31.14 C ATOM 791 CG LEU A 53 4.862 1.268 -13.031 1.00 72.33 C ATOM 792 CD1 LEU A 53 6.196 0.827 -12.449 1.00 21.32 C ATOM 793 CD2 LEU A 53 4.901 1.233 -14.551 1.00 32.33 C ATOM 0 H LEU A 53 3.077 2.386 -11.211 1.00 5.04 H new ATOM 0 HA LEU A 53 2.166 1.292 -13.641 1.00 63.21 H new ATOM 0 HB2 LEU A 53 3.935 0.144 -11.463 1.00 31.14 H new ATOM 0 HB3 LEU A 53 3.738 -0.554 -13.058 1.00 31.14 H new ATOM 0 HG LEU A 53 4.674 2.295 -12.717 1.00 72.33 H new ATOM 0 HD11 LEU A 53 6.990 1.467 -12.834 1.00 21.32 H new ATOM 0 HD12 LEU A 53 6.162 0.904 -11.362 1.00 21.32 H new ATOM 0 HD13 LEU A 53 6.393 -0.207 -12.733 1.00 21.32 H new ATOM 0 HD21 LEU A 53 5.712 1.867 -14.909 1.00 32.33 H new ATOM 0 HD22 LEU A 53 5.066 0.209 -14.887 1.00 32.33 H new ATOM 0 HD23 LEU A 53 3.953 1.597 -14.948 1.00 32.33 H new ATOM 805 N TYR A 54 0.928 0.008 -10.908 1.00 1.54 N ATOM 806 CA TYR A 54 -0.082 -0.901 -10.388 1.00 34.11 C ATOM 807 C TYR A 54 -1.484 -0.381 -10.690 1.00 70.15 C ATOM 808 O TYR A 54 -2.428 -1.159 -10.814 1.00 54.54 O ATOM 809 CB TYR A 54 0.094 -1.094 -8.881 1.00 11.35 C ATOM 810 CG TYR A 54 0.944 -2.292 -8.522 1.00 31.32 C ATOM 811 CD1 TYR A 54 2.212 -2.455 -9.066 1.00 13.35 C ATOM 812 CD2 TYR A 54 0.480 -3.259 -7.639 1.00 14.11 C ATOM 813 CE1 TYR A 54 2.993 -3.548 -8.742 1.00 12.41 C ATOM 814 CE2 TYR A 54 1.256 -4.354 -7.308 1.00 11.43 C ATOM 815 CZ TYR A 54 2.510 -4.494 -7.862 1.00 43.43 C ATOM 816 OH TYR A 54 3.285 -5.583 -7.536 1.00 74.34 O ATOM 0 H TYR A 54 1.326 0.641 -10.214 1.00 1.54 H new ATOM 0 HA TYR A 54 0.044 -1.865 -10.882 1.00 34.11 H new ATOM 0 HB2 TYR A 54 0.547 -0.197 -8.458 1.00 11.35 H new ATOM 0 HB3 TYR A 54 -0.887 -1.203 -8.420 1.00 11.35 H new ATOM 0 HD1 TYR A 54 2.594 -1.715 -9.754 1.00 13.35 H new ATOM 0 HD2 TYR A 54 -0.503 -3.153 -7.204 1.00 14.11 H new ATOM 0 HE1 TYR A 54 3.976 -3.661 -9.175 1.00 12.41 H new ATOM 0 HE2 TYR A 54 0.881 -5.096 -6.619 1.00 11.43 H new ATOM 0 HH TYR A 54 2.890 -6.393 -7.921 1.00 74.34 H new ATOM 826 N ALA A 55 -1.613 0.941 -10.799 1.00 21.21 N ATOM 827 CA ALA A 55 -2.906 1.562 -11.080 1.00 3.44 C ATOM 828 C ALA A 55 -2.959 2.174 -12.484 1.00 5.13 C ATOM 829 O ALA A 55 -3.798 3.033 -12.756 1.00 74.31 O ATOM 830 CB ALA A 55 -3.210 2.624 -10.035 1.00 34.11 C ATOM 0 H ALA A 55 -0.841 1.600 -10.697 1.00 21.21 H new ATOM 0 HA ALA A 55 -3.663 0.779 -11.037 1.00 3.44 H new ATOM 0 HB1 ALA A 55 -4.175 3.082 -10.252 1.00 34.11 H new ATOM 0 HB2 ALA A 55 -3.240 2.164 -9.047 1.00 34.11 H new ATOM 0 HB3 ALA A 55 -2.433 3.388 -10.056 1.00 34.11 H new ATOM 836 N LYS A 56 -2.062 1.742 -13.370 1.00 4.24 N ATOM 837 CA LYS A 56 -2.022 2.270 -14.733 1.00 4.42 C ATOM 838 C LYS A 56 -1.614 1.201 -15.748 1.00 44.15 C ATOM 839 O LYS A 56 -2.188 1.120 -16.834 1.00 51.42 O ATOM 840 CB LYS A 56 -1.052 3.452 -14.817 1.00 22.22 C ATOM 841 CG LYS A 56 -1.580 4.613 -15.644 1.00 10.21 C ATOM 842 CD LYS A 56 -1.641 5.897 -14.832 1.00 4.24 C ATOM 843 CE LYS A 56 -0.267 6.301 -14.322 1.00 65.32 C ATOM 844 NZ LYS A 56 -0.241 7.713 -13.851 1.00 32.21 N ATOM 0 H LYS A 56 -1.357 1.032 -13.170 1.00 4.24 H new ATOM 0 HA LYS A 56 -3.030 2.603 -14.980 1.00 4.42 H new ATOM 0 HB2 LYS A 56 -0.833 3.804 -13.809 1.00 22.22 H new ATOM 0 HB3 LYS A 56 -0.111 3.109 -15.246 1.00 22.22 H new ATOM 0 HG2 LYS A 56 -0.940 4.762 -16.513 1.00 10.21 H new ATOM 0 HG3 LYS A 56 -2.575 4.371 -16.018 1.00 10.21 H new ATOM 0 HD2 LYS A 56 -2.052 6.698 -15.447 1.00 4.24 H new ATOM 0 HD3 LYS A 56 -2.318 5.763 -13.988 1.00 4.24 H new ATOM 0 HE2 LYS A 56 0.025 5.641 -13.505 1.00 65.32 H new ATOM 0 HE3 LYS A 56 0.468 6.170 -15.116 1.00 65.32 H new ATOM 0 HZ1 LYS A 56 0.714 7.948 -13.512 1.00 32.21 H new ATOM 0 HZ2 LYS A 56 -0.495 8.346 -14.636 1.00 32.21 H new ATOM 0 HZ3 LYS A 56 -0.923 7.833 -13.075 1.00 32.21 H new ATOM 858 N SER A 57 -0.614 0.394 -15.398 1.00 21.53 N ATOM 859 CA SER A 57 -0.127 -0.657 -16.291 1.00 44.53 C ATOM 860 C SER A 57 -1.249 -1.624 -16.674 1.00 60.45 C ATOM 861 O SER A 57 -2.427 -1.269 -16.629 1.00 54.40 O ATOM 862 CB SER A 57 1.025 -1.416 -15.627 1.00 10.34 C ATOM 863 OG SER A 57 1.735 -2.197 -16.574 1.00 42.20 O ATOM 0 H SER A 57 -0.126 0.447 -14.504 1.00 21.53 H new ATOM 0 HA SER A 57 0.234 -0.186 -17.205 1.00 44.53 H new ATOM 0 HB2 SER A 57 1.705 -0.709 -15.152 1.00 10.34 H new ATOM 0 HB3 SER A 57 0.634 -2.060 -14.840 1.00 10.34 H new ATOM 0 HG SER A 57 1.823 -3.115 -16.241 1.00 42.20 H new ATOM 869 N GLU A 58 -0.882 -2.850 -17.050 1.00 55.23 N ATOM 870 CA GLU A 58 -1.864 -3.859 -17.439 1.00 22.24 C ATOM 871 C GLU A 58 -2.518 -4.506 -16.216 1.00 31.15 C ATOM 872 O GLU A 58 -3.028 -5.624 -16.294 1.00 31.23 O ATOM 873 CB GLU A 58 -1.207 -4.932 -18.309 1.00 12.33 C ATOM 874 CG GLU A 58 -0.113 -5.711 -17.598 1.00 25.21 C ATOM 875 CD GLU A 58 0.784 -6.467 -18.559 1.00 5.30 C ATOM 876 OE1 GLU A 58 1.433 -5.814 -19.403 1.00 24.30 O ATOM 877 OE2 GLU A 58 0.837 -7.711 -18.467 1.00 25.24 O ATOM 0 H GLU A 58 0.087 -3.166 -17.093 1.00 55.23 H new ATOM 0 HA GLU A 58 -2.643 -3.358 -18.013 1.00 22.24 H new ATOM 0 HB2 GLU A 58 -1.973 -5.628 -18.651 1.00 12.33 H new ATOM 0 HB3 GLU A 58 -0.786 -4.460 -19.197 1.00 12.33 H new ATOM 0 HG2 GLU A 58 0.492 -5.023 -17.007 1.00 25.21 H new ATOM 0 HG3 GLU A 58 -0.568 -6.415 -16.901 1.00 25.21 H new ATOM 884 N PHE A 59 -2.510 -3.793 -15.093 1.00 74.45 N ATOM 885 CA PHE A 59 -3.110 -4.285 -13.861 1.00 21.52 C ATOM 886 C PHE A 59 -3.642 -3.117 -13.036 1.00 53.04 C ATOM 887 O PHE A 59 -3.747 -3.200 -11.813 1.00 13.31 O ATOM 888 CB PHE A 59 -2.095 -5.089 -13.041 1.00 12.03 C ATOM 889 CG PHE A 59 -0.672 -4.634 -13.213 1.00 35.24 C ATOM 890 CD1 PHE A 59 0.022 -4.916 -14.378 1.00 63.25 C ATOM 891 CD2 PHE A 59 -0.032 -3.927 -12.209 1.00 22.34 C ATOM 892 CE1 PHE A 59 1.330 -4.501 -14.539 1.00 73.00 C ATOM 893 CE2 PHE A 59 1.276 -3.509 -12.364 1.00 44.50 C ATOM 894 CZ PHE A 59 1.958 -3.796 -13.530 1.00 33.14 C ATOM 0 H PHE A 59 -2.091 -2.866 -15.013 1.00 74.45 H new ATOM 0 HA PHE A 59 -3.937 -4.945 -14.123 1.00 21.52 H new ATOM 0 HB2 PHE A 59 -2.362 -5.023 -11.986 1.00 12.03 H new ATOM 0 HB3 PHE A 59 -2.166 -6.140 -13.323 1.00 12.03 H new ATOM 0 HD1 PHE A 59 -0.465 -5.466 -15.169 1.00 63.25 H new ATOM 0 HD2 PHE A 59 -0.561 -3.700 -11.295 1.00 22.34 H new ATOM 0 HE1 PHE A 59 1.861 -4.727 -15.452 1.00 73.00 H new ATOM 0 HE2 PHE A 59 1.765 -2.958 -11.574 1.00 44.50 H new ATOM 0 HZ PHE A 59 2.980 -3.470 -13.653 1.00 33.14 H new ATOM 904 N LYS A 60 -3.977 -2.028 -13.724 1.00 35.11 N ATOM 905 CA LYS A 60 -4.502 -0.833 -13.075 1.00 12.50 C ATOM 906 C LYS A 60 -5.827 -1.124 -12.376 1.00 53.32 C ATOM 907 O LYS A 60 -6.250 -0.379 -11.491 1.00 1.45 O ATOM 908 CB LYS A 60 -4.690 0.273 -14.107 1.00 4.42 C ATOM 909 CG LYS A 60 -5.603 -0.125 -15.249 1.00 41.52 C ATOM 910 CD LYS A 60 -6.234 1.088 -15.912 1.00 11.45 C ATOM 911 CE LYS A 60 -6.898 0.721 -17.230 1.00 63.33 C ATOM 912 NZ LYS A 60 -8.374 0.582 -17.088 1.00 32.12 N ATOM 0 H LYS A 60 -3.893 -1.950 -14.738 1.00 35.11 H new ATOM 0 HA LYS A 60 -3.785 -0.509 -12.321 1.00 12.50 H new ATOM 0 HB2 LYS A 60 -5.099 1.155 -13.614 1.00 4.42 H new ATOM 0 HB3 LYS A 60 -3.717 0.555 -14.510 1.00 4.42 H new ATOM 0 HG2 LYS A 60 -5.036 -0.690 -15.989 1.00 41.52 H new ATOM 0 HG3 LYS A 60 -6.386 -0.785 -14.876 1.00 41.52 H new ATOM 0 HD2 LYS A 60 -6.972 1.527 -15.241 1.00 11.45 H new ATOM 0 HD3 LYS A 60 -5.471 1.846 -16.087 1.00 11.45 H new ATOM 0 HE2 LYS A 60 -6.675 1.486 -17.974 1.00 63.33 H new ATOM 0 HE3 LYS A 60 -6.479 -0.215 -17.599 1.00 63.33 H new ATOM 0 HZ1 LYS A 60 -8.789 0.331 -18.008 1.00 32.12 H new ATOM 0 HZ2 LYS A 60 -8.587 -0.165 -16.397 1.00 32.12 H new ATOM 0 HZ3 LYS A 60 -8.778 1.483 -16.760 1.00 32.12 H new ATOM 926 N ASP A 61 -6.467 -2.219 -12.767 1.00 63.52 N ATOM 927 CA ASP A 61 -7.734 -2.625 -12.169 1.00 24.02 C ATOM 928 C ASP A 61 -7.505 -3.797 -11.222 1.00 52.43 C ATOM 929 O ASP A 61 -8.391 -4.192 -10.466 1.00 2.45 O ATOM 930 CB ASP A 61 -8.739 -3.015 -13.254 1.00 61.12 C ATOM 931 CG ASP A 61 -8.168 -4.015 -14.240 1.00 13.52 C ATOM 932 OD1 ASP A 61 -7.855 -5.149 -13.821 1.00 30.32 O ATOM 933 OD2 ASP A 61 -8.032 -3.664 -15.431 1.00 23.44 O ATOM 0 H ASP A 61 -6.128 -2.844 -13.498 1.00 63.52 H new ATOM 0 HA ASP A 61 -8.142 -1.784 -11.608 1.00 24.02 H new ATOM 0 HB2 ASP A 61 -9.628 -3.438 -12.786 1.00 61.12 H new ATOM 0 HB3 ASP A 61 -9.055 -2.120 -13.790 1.00 61.12 H new ATOM 938 N ARG A 62 -6.294 -4.337 -11.277 1.00 74.15 N ATOM 939 CA ARG A 62 -5.894 -5.454 -10.445 1.00 30.21 C ATOM 940 C ARG A 62 -5.403 -4.949 -9.085 1.00 43.41 C ATOM 941 O ARG A 62 -5.949 -3.988 -8.545 1.00 13.43 O ATOM 942 CB ARG A 62 -4.803 -6.245 -11.168 1.00 63.22 C ATOM 943 CG ARG A 62 -4.858 -7.739 -10.909 1.00 63.51 C ATOM 944 CD ARG A 62 -3.888 -8.498 -11.800 1.00 55.34 C ATOM 945 NE ARG A 62 -4.560 -9.106 -12.946 1.00 33.12 N ATOM 946 CZ ARG A 62 -3.931 -9.509 -14.048 1.00 32.42 C ATOM 947 NH1 ARG A 62 -2.615 -9.372 -14.156 1.00 51.31 N ATOM 948 NH2 ARG A 62 -4.619 -10.051 -15.043 1.00 30.32 N ATOM 0 H ARG A 62 -5.561 -4.007 -11.905 1.00 74.15 H new ATOM 0 HA ARG A 62 -6.746 -6.110 -10.266 1.00 30.21 H new ATOM 0 HB2 ARG A 62 -4.888 -6.068 -12.240 1.00 63.22 H new ATOM 0 HB3 ARG A 62 -3.828 -5.868 -10.859 1.00 63.22 H new ATOM 0 HG2 ARG A 62 -4.623 -7.936 -9.863 1.00 63.51 H new ATOM 0 HG3 ARG A 62 -5.871 -8.102 -11.082 1.00 63.51 H new ATOM 0 HD2 ARG A 62 -3.112 -7.819 -12.153 1.00 55.34 H new ATOM 0 HD3 ARG A 62 -3.391 -9.274 -11.217 1.00 55.34 H new ATOM 0 HE ARG A 62 -5.571 -9.229 -12.899 1.00 33.12 H new ATOM 0 HH11 ARG A 62 -2.081 -8.956 -13.393 1.00 51.31 H new ATOM 0 HH12 ARG A 62 -2.138 -9.682 -15.002 1.00 51.31 H new ATOM 0 HH21 ARG A 62 -5.630 -10.159 -14.964 1.00 30.32 H new ATOM 0 HH22 ARG A 62 -4.137 -10.360 -15.887 1.00 30.32 H new ATOM 962 N VAL A 63 -4.371 -5.589 -8.534 1.00 5.03 N ATOM 963 CA VAL A 63 -3.822 -5.185 -7.246 1.00 24.54 C ATOM 964 C VAL A 63 -3.564 -3.683 -7.223 1.00 43.11 C ATOM 965 O VAL A 63 -3.077 -3.111 -8.198 1.00 13.12 O ATOM 966 CB VAL A 63 -2.504 -5.930 -6.949 1.00 31.41 C ATOM 967 CG1 VAL A 63 -1.532 -5.757 -8.101 1.00 3.53 C ATOM 968 CG2 VAL A 63 -1.879 -5.456 -5.641 1.00 23.12 C ATOM 0 H VAL A 63 -3.901 -6.387 -8.961 1.00 5.03 H new ATOM 0 HA VAL A 63 -4.554 -5.440 -6.480 1.00 24.54 H new ATOM 0 HB VAL A 63 -2.733 -6.990 -6.839 1.00 31.41 H new ATOM 0 HG11 VAL A 63 -0.606 -6.288 -7.879 1.00 3.53 H new ATOM 0 HG12 VAL A 63 -1.972 -6.162 -9.012 1.00 3.53 H new ATOM 0 HG13 VAL A 63 -1.318 -4.697 -8.241 1.00 3.53 H new ATOM 0 HG21 VAL A 63 -0.952 -6.001 -5.462 1.00 23.12 H new ATOM 0 HG22 VAL A 63 -1.666 -4.389 -5.705 1.00 23.12 H new ATOM 0 HG23 VAL A 63 -2.572 -5.639 -4.820 1.00 23.12 H new ATOM 978 N VAL A 64 -3.906 -3.048 -6.110 1.00 64.12 N ATOM 979 CA VAL A 64 -3.722 -1.614 -5.972 1.00 33.20 C ATOM 980 C VAL A 64 -2.813 -1.276 -4.795 1.00 54.35 C ATOM 981 O VAL A 64 -2.893 -1.898 -3.736 1.00 2.41 O ATOM 982 CB VAL A 64 -5.072 -0.902 -5.779 1.00 61.33 C ATOM 983 CG1 VAL A 64 -4.887 0.605 -5.798 1.00 71.13 C ATOM 984 CG2 VAL A 64 -6.065 -1.344 -6.842 1.00 23.14 C ATOM 0 H VAL A 64 -4.311 -3.504 -5.293 1.00 64.12 H new ATOM 0 HA VAL A 64 -3.254 -1.266 -6.893 1.00 33.20 H new ATOM 0 HB VAL A 64 -5.475 -1.180 -4.805 1.00 61.33 H new ATOM 0 HG11 VAL A 64 -5.852 1.092 -5.660 1.00 71.13 H new ATOM 0 HG12 VAL A 64 -4.214 0.899 -4.993 1.00 71.13 H new ATOM 0 HG13 VAL A 64 -4.462 0.907 -6.755 1.00 71.13 H new ATOM 0 HG21 VAL A 64 -7.014 -0.830 -6.690 1.00 23.14 H new ATOM 0 HG22 VAL A 64 -5.674 -1.099 -7.830 1.00 23.14 H new ATOM 0 HG23 VAL A 64 -6.220 -2.421 -6.770 1.00 23.14 H new ATOM 994 N ILE A 65 -1.958 -0.276 -4.985 1.00 53.13 N ATOM 995 CA ILE A 65 -1.044 0.158 -3.939 1.00 64.23 C ATOM 996 C ILE A 65 -1.687 1.263 -3.104 1.00 64.25 C ATOM 997 O ILE A 65 -1.802 2.403 -3.552 1.00 74.41 O ATOM 998 CB ILE A 65 0.282 0.661 -4.548 1.00 34.00 C ATOM 999 CG1 ILE A 65 0.923 -0.439 -5.399 1.00 43.52 C ATOM 1000 CG2 ILE A 65 1.245 1.123 -3.463 1.00 13.14 C ATOM 1001 CD1 ILE A 65 1.031 -1.773 -4.690 1.00 24.43 C ATOM 0 H ILE A 65 -1.881 0.249 -5.856 1.00 53.13 H new ATOM 0 HA ILE A 65 -0.828 -0.695 -3.296 1.00 64.23 H new ATOM 0 HB ILE A 65 0.060 1.517 -5.185 1.00 34.00 H new ATOM 0 HG12 ILE A 65 0.339 -0.568 -6.310 1.00 43.52 H new ATOM 0 HG13 ILE A 65 1.919 -0.117 -5.702 1.00 43.52 H new ATOM 0 HG21 ILE A 65 2.170 1.472 -3.922 1.00 13.14 H new ATOM 0 HG22 ILE A 65 0.792 1.937 -2.897 1.00 13.14 H new ATOM 0 HG23 ILE A 65 1.464 0.292 -2.792 1.00 13.14 H new ATOM 0 HD11 ILE A 65 1.495 -2.502 -5.355 1.00 24.43 H new ATOM 0 HD12 ILE A 65 1.641 -1.660 -3.794 1.00 24.43 H new ATOM 0 HD13 ILE A 65 0.036 -2.118 -4.411 1.00 24.43 H new ATOM 1013 N ALA A 66 -2.127 0.912 -1.899 1.00 64.35 N ATOM 1014 CA ALA A 66 -2.781 1.874 -1.016 1.00 14.51 C ATOM 1015 C ALA A 66 -1.885 2.293 0.147 1.00 73.12 C ATOM 1016 O ALA A 66 -0.859 1.667 0.423 1.00 3.24 O ATOM 1017 CB ALA A 66 -4.087 1.298 -0.491 1.00 0.23 C ATOM 0 H ALA A 66 -2.043 -0.028 -1.512 1.00 64.35 H new ATOM 0 HA ALA A 66 -2.987 2.768 -1.605 1.00 14.51 H new ATOM 0 HB1 ALA A 66 -4.566 2.023 0.166 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -4.748 1.074 -1.328 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -3.884 0.383 0.065 1.00 0.23 H new ATOM 1023 N LYS A 67 -2.288 3.358 0.833 1.00 1.20 N ATOM 1024 CA LYS A 67 -1.530 3.864 1.970 1.00 52.23 C ATOM 1025 C LYS A 67 -2.414 4.701 2.883 1.00 31.31 C ATOM 1026 O LYS A 67 -3.384 5.316 2.438 1.00 24.30 O ATOM 1027 CB LYS A 67 -0.331 4.691 1.497 1.00 44.25 C ATOM 1028 CG LYS A 67 -0.619 5.549 0.273 1.00 70.43 C ATOM 1029 CD LYS A 67 -0.254 7.007 0.508 1.00 21.32 C ATOM 1030 CE LYS A 67 0.992 7.405 -0.267 1.00 75.00 C ATOM 1031 NZ LYS A 67 0.661 8.215 -1.472 1.00 23.24 N ATOM 0 H LYS A 67 -3.134 3.886 0.621 1.00 1.20 H new ATOM 0 HA LYS A 67 -1.163 3.007 2.534 1.00 52.23 H new ATOM 0 HB2 LYS A 67 -0.003 5.336 2.312 1.00 44.25 H new ATOM 0 HB3 LYS A 67 0.496 4.018 1.271 1.00 44.25 H new ATOM 0 HG2 LYS A 67 -0.058 5.166 -0.580 1.00 70.43 H new ATOM 0 HG3 LYS A 67 -1.676 5.475 0.018 1.00 70.43 H new ATOM 0 HD2 LYS A 67 -1.087 7.644 0.210 1.00 21.32 H new ATOM 0 HD3 LYS A 67 -0.090 7.174 1.572 1.00 21.32 H new ATOM 0 HE2 LYS A 67 1.657 7.975 0.382 1.00 75.00 H new ATOM 0 HE3 LYS A 67 1.533 6.509 -0.570 1.00 75.00 H new ATOM 0 HZ1 LYS A 67 1.434 8.141 -2.163 1.00 23.24 H new ATOM 0 HZ2 LYS A 67 -0.219 7.860 -1.898 1.00 23.24 H new ATOM 0 HZ3 LYS A 67 0.536 9.210 -1.198 1.00 23.24 H new ATOM 1045 N VAL A 68 -2.073 4.712 4.165 1.00 11.03 N ATOM 1046 CA VAL A 68 -2.832 5.464 5.152 1.00 72.45 C ATOM 1047 C VAL A 68 -1.901 6.166 6.135 1.00 32.14 C ATOM 1048 O VAL A 68 -0.762 5.742 6.335 1.00 51.32 O ATOM 1049 CB VAL A 68 -3.785 4.541 5.935 1.00 43.32 C ATOM 1050 CG1 VAL A 68 -2.992 3.519 6.734 1.00 42.24 C ATOM 1051 CG2 VAL A 68 -4.691 5.354 6.846 1.00 51.14 C ATOM 0 H VAL A 68 -1.273 4.206 4.545 1.00 11.03 H new ATOM 0 HA VAL A 68 -3.416 6.210 4.613 1.00 72.45 H new ATOM 0 HB VAL A 68 -4.414 4.007 5.223 1.00 43.32 H new ATOM 0 HG11 VAL A 68 -3.678 2.874 7.282 1.00 42.24 H new ATOM 0 HG12 VAL A 68 -2.390 2.915 6.056 1.00 42.24 H new ATOM 0 HG13 VAL A 68 -2.339 4.035 7.438 1.00 42.24 H new ATOM 0 HG21 VAL A 68 -5.356 4.683 7.390 1.00 51.14 H new ATOM 0 HG22 VAL A 68 -4.084 5.917 7.555 1.00 51.14 H new ATOM 0 HG23 VAL A 68 -5.283 6.046 6.247 1.00 51.14 H new ATOM 1061 N ASP A 69 -2.392 7.233 6.753 1.00 50.51 N ATOM 1062 CA ASP A 69 -1.602 7.980 7.720 1.00 43.22 C ATOM 1063 C ASP A 69 -1.804 7.420 9.125 1.00 5.23 C ATOM 1064 O ASP A 69 -2.852 7.616 9.740 1.00 5.32 O ATOM 1065 CB ASP A 69 -1.976 9.462 7.686 1.00 32.22 C ATOM 1066 CG ASP A 69 -0.760 10.365 7.733 1.00 4.11 C ATOM 1067 OD1 ASP A 69 0.137 10.111 8.565 1.00 42.00 O ATOM 1068 OD2 ASP A 69 -0.703 11.327 6.938 1.00 53.31 O ATOM 0 H ASP A 69 -3.332 7.599 6.601 1.00 50.51 H new ATOM 0 HA ASP A 69 -0.550 7.878 7.453 1.00 43.22 H new ATOM 0 HB2 ASP A 69 -2.545 9.670 6.780 1.00 32.22 H new ATOM 0 HB3 ASP A 69 -2.627 9.689 8.530 1.00 32.22 H new ATOM 1073 N ALA A 70 -0.793 6.719 9.622 1.00 52.42 N ATOM 1074 CA ALA A 70 -0.851 6.122 10.952 1.00 24.21 C ATOM 1075 C ALA A 70 -0.830 7.183 12.051 1.00 22.35 C ATOM 1076 O ALA A 70 -1.002 6.870 13.229 1.00 53.45 O ATOM 1077 CB ALA A 70 0.310 5.156 11.136 1.00 61.12 C ATOM 0 H ALA A 70 0.080 6.549 9.123 1.00 52.42 H new ATOM 0 HA ALA A 70 -1.794 5.581 11.034 1.00 24.21 H new ATOM 0 HB1 ALA A 70 0.261 4.714 12.131 1.00 61.12 H new ATOM 0 HB2 ALA A 70 0.250 4.368 10.385 1.00 61.12 H new ATOM 0 HB3 ALA A 70 1.252 5.693 11.024 1.00 61.12 H new ATOM 1083 N THR A 71 -0.606 8.435 11.664 1.00 42.24 N ATOM 1084 CA THR A 71 -0.548 9.532 12.625 1.00 3.43 C ATOM 1085 C THR A 71 -1.613 10.590 12.345 1.00 33.43 C ATOM 1086 O THR A 71 -1.880 11.448 13.186 1.00 51.01 O ATOM 1087 CB THR A 71 0.834 10.176 12.589 1.00 25.35 C ATOM 1088 OG1 THR A 71 0.874 11.331 13.407 1.00 70.43 O ATOM 1089 CG2 THR A 71 1.265 10.581 11.196 1.00 30.12 C ATOM 0 H THR A 71 -0.462 8.715 10.694 1.00 42.24 H new ATOM 0 HA THR A 71 -0.741 9.117 13.614 1.00 3.43 H new ATOM 0 HB THR A 71 1.519 9.412 12.958 1.00 25.35 H new ATOM 0 HG1 THR A 71 -0.016 11.741 13.438 1.00 70.43 H new ATOM 0 HG21 THR A 71 2.256 11.033 11.239 1.00 30.12 H new ATOM 0 HG22 THR A 71 1.295 9.701 10.554 1.00 30.12 H new ATOM 0 HG23 THR A 71 0.555 11.302 10.791 1.00 30.12 H new ATOM 1097 N ALA A 72 -2.214 10.530 11.164 1.00 0.30 N ATOM 1098 CA ALA A 72 -3.240 11.488 10.784 1.00 75.21 C ATOM 1099 C ALA A 72 -4.628 10.862 10.843 1.00 45.34 C ATOM 1100 O ALA A 72 -5.637 11.567 10.841 1.00 45.33 O ATOM 1101 CB ALA A 72 -2.962 12.028 9.391 1.00 51.24 C ATOM 0 H ALA A 72 -2.008 9.828 10.454 1.00 0.30 H new ATOM 0 HA ALA A 72 -3.214 12.313 11.496 1.00 75.21 H new ATOM 0 HB1 ALA A 72 -3.737 12.744 9.117 1.00 51.24 H new ATOM 0 HB2 ALA A 72 -1.990 12.522 9.379 1.00 51.24 H new ATOM 0 HB3 ALA A 72 -2.959 11.205 8.676 1.00 51.24 H new ATOM 1107 N ASN A 73 -4.674 9.535 10.887 1.00 1.30 N ATOM 1108 CA ASN A 73 -5.942 8.821 10.937 1.00 2.25 C ATOM 1109 C ASN A 73 -5.892 7.686 11.953 1.00 71.03 C ATOM 1110 O ASN A 73 -5.470 6.575 11.635 1.00 22.02 O ATOM 1111 CB ASN A 73 -6.304 8.266 9.554 1.00 15.54 C ATOM 1112 CG ASN A 73 -5.327 8.682 8.469 1.00 54.52 C ATOM 1113 OD1 ASN A 73 -4.550 7.869 7.974 1.00 72.24 O ATOM 1114 ND2 ASN A 73 -5.364 9.956 8.096 1.00 11.11 N ATOM 0 H ASN A 73 -3.850 8.934 10.889 1.00 1.30 H new ATOM 0 HA ASN A 73 -6.710 9.530 11.247 1.00 2.25 H new ATOM 0 HB2 ASN A 73 -6.340 7.178 9.604 1.00 15.54 H new ATOM 0 HB3 ASN A 73 -7.304 8.606 9.284 1.00 15.54 H new ATOM 0 HD21 ASN A 73 -4.731 10.294 7.371 1.00 11.11 H new ATOM 0 HD22 ASN A 73 -6.026 10.597 8.534 1.00 11.11 H new ATOM 1121 N ASP A 74 -6.333 7.968 13.176 1.00 10.14 N ATOM 1122 CA ASP A 74 -6.345 6.963 14.235 1.00 32.42 C ATOM 1123 C ASP A 74 -7.015 5.682 13.748 1.00 31.33 C ATOM 1124 O ASP A 74 -8.241 5.604 13.665 1.00 44.21 O ATOM 1125 CB ASP A 74 -7.073 7.498 15.469 1.00 3.14 C ATOM 1126 CG ASP A 74 -6.456 8.779 15.994 1.00 10.31 C ATOM 1127 OD1 ASP A 74 -6.030 9.615 15.169 1.00 5.34 O ATOM 1128 OD2 ASP A 74 -6.400 8.948 17.230 1.00 34.45 O ATOM 0 H ASP A 74 -6.686 8.882 13.458 1.00 10.14 H new ATOM 0 HA ASP A 74 -5.313 6.737 14.505 1.00 32.42 H new ATOM 0 HB2 ASP A 74 -8.119 7.677 15.221 1.00 3.14 H new ATOM 0 HB3 ASP A 74 -7.056 6.742 16.254 1.00 3.14 H new ATOM 1133 N VAL A 75 -6.203 4.684 13.418 1.00 53.50 N ATOM 1134 CA VAL A 75 -6.717 3.412 12.929 1.00 63.22 C ATOM 1135 C VAL A 75 -6.955 2.430 14.074 1.00 35.25 C ATOM 1136 O VAL A 75 -6.261 2.468 15.090 1.00 64.10 O ATOM 1137 CB VAL A 75 -5.753 2.781 11.903 1.00 4.11 C ATOM 1138 CG1 VAL A 75 -5.470 3.755 10.767 1.00 33.13 C ATOM 1139 CG2 VAL A 75 -4.457 2.347 12.576 1.00 12.01 C ATOM 0 H VAL A 75 -5.186 4.732 13.481 1.00 53.50 H new ATOM 0 HA VAL A 75 -7.670 3.619 12.442 1.00 63.22 H new ATOM 0 HB VAL A 75 -6.231 1.895 11.484 1.00 4.11 H new ATOM 0 HG11 VAL A 75 -4.788 3.293 10.053 1.00 33.13 H new ATOM 0 HG12 VAL A 75 -6.403 4.010 10.265 1.00 33.13 H new ATOM 0 HG13 VAL A 75 -5.015 4.661 11.169 1.00 33.13 H new ATOM 0 HG21 VAL A 75 -3.792 1.905 11.834 1.00 12.01 H new ATOM 0 HG22 VAL A 75 -3.973 3.214 13.026 1.00 12.01 H new ATOM 0 HG23 VAL A 75 -4.677 1.612 13.350 1.00 12.01 H new ATOM 1149 N PRO A 76 -7.946 1.534 13.924 1.00 60.33 N ATOM 1150 CA PRO A 76 -8.273 0.539 14.949 1.00 75.42 C ATOM 1151 C PRO A 76 -7.237 -0.577 15.023 1.00 43.21 C ATOM 1152 O PRO A 76 -7.041 -1.186 16.075 1.00 21.12 O ATOM 1153 CB PRO A 76 -9.622 -0.012 14.484 1.00 73.42 C ATOM 1154 CG PRO A 76 -9.610 0.164 13.006 1.00 11.44 C ATOM 1155 CD PRO A 76 -8.823 1.420 12.742 1.00 24.22 C ATOM 0 HA PRO A 76 -8.295 0.972 15.949 1.00 75.42 H new ATOM 0 HB2 PRO A 76 -9.737 -1.061 14.757 1.00 73.42 H new ATOM 0 HB3 PRO A 76 -10.450 0.530 14.941 1.00 73.42 H new ATOM 0 HG2 PRO A 76 -9.151 -0.694 12.515 1.00 11.44 H new ATOM 0 HG3 PRO A 76 -10.624 0.250 12.615 1.00 11.44 H new ATOM 0 HD2 PRO A 76 -8.246 1.345 11.820 1.00 24.22 H new ATOM 0 HD3 PRO A 76 -9.475 2.288 12.641 1.00 24.22 H new ATOM 1163 N ASP A 77 -6.576 -0.840 13.900 1.00 62.52 N ATOM 1164 CA ASP A 77 -5.559 -1.883 13.838 1.00 21.44 C ATOM 1165 C ASP A 77 -4.442 -1.615 14.842 1.00 3.52 C ATOM 1166 O ASP A 77 -4.206 -0.471 15.231 1.00 0.40 O ATOM 1167 CB ASP A 77 -4.978 -1.974 12.426 1.00 64.14 C ATOM 1168 CG ASP A 77 -4.407 -3.346 12.123 1.00 73.22 C ATOM 1169 OD1 ASP A 77 -3.541 -3.811 12.894 1.00 31.34 O ATOM 1170 OD2 ASP A 77 -4.826 -3.954 11.116 1.00 20.50 O ATOM 0 H ASP A 77 -6.727 -0.345 13.021 1.00 62.52 H new ATOM 0 HA ASP A 77 -6.032 -2.832 14.092 1.00 21.44 H new ATOM 0 HB2 ASP A 77 -5.756 -1.739 11.700 1.00 64.14 H new ATOM 0 HB3 ASP A 77 -4.196 -1.224 12.309 1.00 64.14 H new ATOM 1253 N PRO A 83 6.594 3.032 10.775 1.00 3.04 N ATOM 1254 CA PRO A 83 5.350 2.750 10.055 1.00 54.24 C ATOM 1255 C PRO A 83 5.133 1.256 9.846 1.00 11.33 C ATOM 1256 O PRO A 83 5.736 0.430 10.532 1.00 42.02 O ATOM 1257 CB PRO A 83 5.529 3.460 8.706 1.00 3.23 C ATOM 1258 CG PRO A 83 6.804 4.235 8.814 1.00 1.32 C ATOM 1259 CD PRO A 83 7.622 3.554 9.873 1.00 54.44 C ATOM 0 HA PRO A 83 4.478 3.094 10.611 1.00 54.24 H new ATOM 0 HB2 PRO A 83 5.578 2.740 7.889 1.00 3.23 H new ATOM 0 HB3 PRO A 83 4.687 4.121 8.498 1.00 3.23 H new ATOM 0 HG2 PRO A 83 7.334 4.247 7.861 1.00 1.32 H new ATOM 0 HG3 PRO A 83 6.607 5.273 9.082 1.00 1.32 H new ATOM 0 HD2 PRO A 83 8.242 2.758 9.459 1.00 54.44 H new ATOM 0 HD3 PRO A 83 8.292 4.249 10.379 1.00 54.44 H new ATOM 1267 N THR A 84 4.271 0.915 8.897 1.00 2.41 N ATOM 1268 CA THR A 84 3.982 -0.488 8.604 1.00 41.24 C ATOM 1269 C THR A 84 3.414 -0.654 7.197 1.00 32.43 C ATOM 1270 O THR A 84 2.894 0.291 6.617 1.00 60.21 O ATOM 1271 CB THR A 84 2.999 -1.046 9.639 1.00 10.10 C ATOM 1272 OG1 THR A 84 3.555 -0.980 10.940 1.00 22.31 O ATOM 1273 CG2 THR A 84 2.597 -2.486 9.388 1.00 53.53 C ATOM 0 H THR A 84 3.761 1.583 8.319 1.00 2.41 H new ATOM 0 HA THR A 84 4.917 -1.046 8.657 1.00 41.24 H new ATOM 0 HB THR A 84 2.110 -0.422 9.549 1.00 10.10 H new ATOM 0 HG1 THR A 84 4.516 -0.796 10.876 1.00 22.31 H new ATOM 0 HG21 THR A 84 1.900 -2.809 10.162 1.00 53.53 H new ATOM 0 HG22 THR A 84 2.118 -2.565 8.412 1.00 53.53 H new ATOM 0 HG23 THR A 84 3.483 -3.120 9.410 1.00 53.53 H new ATOM 1281 N ILE A 85 3.513 -1.865 6.655 1.00 60.42 N ATOM 1282 CA ILE A 85 2.995 -2.146 5.320 1.00 22.33 C ATOM 1283 C ILE A 85 2.269 -3.484 5.286 1.00 73.34 C ATOM 1284 O ILE A 85 2.880 -4.539 5.161 1.00 71.15 O ATOM 1285 CB ILE A 85 4.103 -2.148 4.257 1.00 41.20 C ATOM 1286 CG1 ILE A 85 4.985 -0.904 4.415 1.00 4.04 C ATOM 1287 CG2 ILE A 85 3.482 -2.218 2.868 1.00 44.35 C ATOM 1288 CD1 ILE A 85 5.666 -0.465 3.137 1.00 54.43 C ATOM 0 H ILE A 85 3.946 -2.664 7.118 1.00 60.42 H new ATOM 0 HA ILE A 85 2.295 -1.344 5.086 1.00 22.33 H new ATOM 0 HB ILE A 85 4.737 -3.025 4.390 1.00 41.20 H new ATOM 0 HG12 ILE A 85 4.373 -0.083 4.789 1.00 4.04 H new ATOM 0 HG13 ILE A 85 5.746 -1.104 5.170 1.00 4.04 H new ATOM 0 HG21 ILE A 85 4.271 -2.219 2.116 1.00 44.35 H new ATOM 0 HG22 ILE A 85 2.894 -3.131 2.778 1.00 44.35 H new ATOM 0 HG23 ILE A 85 2.836 -1.354 2.714 1.00 44.35 H new ATOM 0 HD11 ILE A 85 6.271 0.421 3.333 1.00 54.43 H new ATOM 0 HD12 ILE A 85 6.306 -1.268 2.771 1.00 54.43 H new ATOM 0 HD13 ILE A 85 4.912 -0.231 2.385 1.00 54.43 H new ATOM 1300 N LYS A 86 0.958 -3.423 5.398 1.00 3.11 N ATOM 1301 CA LYS A 86 0.127 -4.620 5.389 1.00 60.53 C ATOM 1302 C LYS A 86 -0.459 -4.875 4.007 1.00 52.11 C ATOM 1303 O LYS A 86 -0.999 -3.970 3.371 1.00 22.13 O ATOM 1304 CB LYS A 86 -0.998 -4.489 6.417 1.00 33.22 C ATOM 1305 CG LYS A 86 -0.533 -4.665 7.853 1.00 12.03 C ATOM 1306 CD LYS A 86 -1.638 -4.331 8.842 1.00 13.41 C ATOM 1307 CE LYS A 86 -1.120 -4.311 10.271 1.00 71.15 C ATOM 1308 NZ LYS A 86 -1.400 -5.590 10.980 1.00 24.02 N ATOM 0 H LYS A 86 0.437 -2.552 5.497 1.00 3.11 H new ATOM 0 HA LYS A 86 0.758 -5.469 5.652 1.00 60.53 H new ATOM 0 HB2 LYS A 86 -1.463 -3.509 6.312 1.00 33.22 H new ATOM 0 HB3 LYS A 86 -1.766 -5.231 6.199 1.00 33.22 H new ATOM 0 HG2 LYS A 86 -0.204 -5.693 8.007 1.00 12.03 H new ATOM 0 HG3 LYS A 86 0.329 -4.024 8.039 1.00 12.03 H new ATOM 0 HD2 LYS A 86 -2.067 -3.360 8.596 1.00 13.41 H new ATOM 0 HD3 LYS A 86 -2.440 -5.064 8.755 1.00 13.41 H new ATOM 0 HE2 LYS A 86 -0.046 -4.126 10.265 1.00 71.15 H new ATOM 0 HE3 LYS A 86 -1.582 -3.486 10.813 1.00 71.15 H new ATOM 0 HZ1 LYS A 86 -0.987 -5.556 11.934 1.00 24.02 H new ATOM 0 HZ2 LYS A 86 -2.428 -5.729 11.053 1.00 24.02 H new ATOM 0 HZ3 LYS A 86 -0.981 -6.380 10.449 1.00 24.02 H new ATOM 1322 N LEU A 87 -0.346 -6.115 3.550 1.00 25.44 N ATOM 1323 CA LEU A 87 -0.862 -6.503 2.240 1.00 13.34 C ATOM 1324 C LEU A 87 -2.147 -7.311 2.372 1.00 25.24 C ATOM 1325 O LEU A 87 -2.120 -8.469 2.790 1.00 31.53 O ATOM 1326 CB LEU A 87 0.185 -7.335 1.507 1.00 63.02 C ATOM 1327 CG LEU A 87 -0.134 -7.703 0.046 1.00 64.25 C ATOM 1328 CD1 LEU A 87 -1.091 -8.880 -0.009 1.00 33.42 C ATOM 1329 CD2 LEU A 87 -0.716 -6.511 -0.698 1.00 30.13 C ATOM 0 H LEU A 87 0.099 -6.873 4.067 1.00 25.44 H new ATOM 0 HA LEU A 87 -1.082 -5.596 1.677 1.00 13.34 H new ATOM 0 HB2 LEU A 87 1.128 -6.789 1.524 1.00 63.02 H new ATOM 0 HB3 LEU A 87 0.341 -8.258 2.066 1.00 63.02 H new ATOM 0 HG LEU A 87 0.797 -7.989 -0.443 1.00 64.25 H new ATOM 0 HD11 LEU A 87 -1.305 -9.126 -1.049 1.00 33.42 H new ATOM 0 HD12 LEU A 87 -0.637 -9.741 0.482 1.00 33.42 H new ATOM 0 HD13 LEU A 87 -2.018 -8.619 0.501 1.00 33.42 H new ATOM 0 HD21 LEU A 87 -0.933 -6.795 -1.728 1.00 30.13 H new ATOM 0 HD22 LEU A 87 -1.636 -6.190 -0.209 1.00 30.13 H new ATOM 0 HD23 LEU A 87 0.003 -5.692 -0.692 1.00 30.13 H new ATOM 1341 N TYR A 88 -3.269 -6.707 1.998 1.00 32.44 N ATOM 1342 CA TYR A 88 -4.553 -7.392 2.063 1.00 20.25 C ATOM 1343 C TYR A 88 -4.911 -7.970 0.699 1.00 64.41 C ATOM 1344 O TYR A 88 -5.521 -7.292 -0.128 1.00 42.44 O ATOM 1345 CB TYR A 88 -5.660 -6.444 2.521 1.00 52.13 C ATOM 1346 CG TYR A 88 -5.453 -5.882 3.907 1.00 21.13 C ATOM 1347 CD1 TYR A 88 -4.347 -5.095 4.201 1.00 73.15 C ATOM 1348 CD2 TYR A 88 -6.365 -6.139 4.923 1.00 30.13 C ATOM 1349 CE1 TYR A 88 -4.155 -4.580 5.468 1.00 54.40 C ATOM 1350 CE2 TYR A 88 -6.180 -5.628 6.193 1.00 35.44 C ATOM 1351 CZ TYR A 88 -5.074 -4.850 6.460 1.00 1.22 C ATOM 1352 OH TYR A 88 -4.883 -4.342 7.724 1.00 3.10 O ATOM 0 H TYR A 88 -3.315 -5.750 1.649 1.00 32.44 H new ATOM 0 HA TYR A 88 -4.464 -8.200 2.789 1.00 20.25 H new ATOM 0 HB2 TYR A 88 -5.734 -5.619 1.813 1.00 52.13 H new ATOM 0 HB3 TYR A 88 -6.612 -6.974 2.493 1.00 52.13 H new ATOM 0 HD1 TYR A 88 -3.625 -4.882 3.426 1.00 73.15 H new ATOM 0 HD2 TYR A 88 -7.233 -6.748 4.717 1.00 30.13 H new ATOM 0 HE1 TYR A 88 -3.290 -3.969 5.681 1.00 54.40 H new ATOM 0 HE2 TYR A 88 -6.898 -5.837 6.972 1.00 35.44 H new ATOM 0 HH TYR A 88 -5.536 -3.631 7.893 1.00 3.10 H new ATOM 1362 N PRO A 89 -4.540 -9.233 0.442 1.00 54.33 N ATOM 1363 CA PRO A 89 -4.831 -9.895 -0.826 1.00 44.12 C ATOM 1364 C PRO A 89 -6.307 -9.875 -1.141 1.00 5.24 C ATOM 1365 O PRO A 89 -7.123 -9.435 -0.331 1.00 54.43 O ATOM 1366 CB PRO A 89 -4.386 -11.347 -0.600 1.00 1.30 C ATOM 1367 CG PRO A 89 -4.214 -11.481 0.872 1.00 52.43 C ATOM 1368 CD PRO A 89 -3.823 -10.123 1.360 1.00 64.41 C ATOM 0 HA PRO A 89 -4.328 -9.402 -1.657 1.00 44.12 H new ATOM 0 HB2 PRO A 89 -5.131 -12.049 -0.974 1.00 1.30 H new ATOM 0 HB3 PRO A 89 -3.455 -11.559 -1.126 1.00 1.30 H new ATOM 0 HG2 PRO A 89 -5.137 -11.816 1.345 1.00 52.43 H new ATOM 0 HG3 PRO A 89 -3.448 -12.218 1.111 1.00 52.43 H new ATOM 0 HD2 PRO A 89 -4.122 -9.963 2.396 1.00 64.41 H new ATOM 0 HD3 PRO A 89 -2.745 -9.970 1.313 1.00 64.41 H new ATOM 1376 N ALA A 90 -6.651 -10.395 -2.303 1.00 0.43 N ATOM 1377 CA ALA A 90 -8.042 -10.475 -2.691 1.00 75.24 C ATOM 1378 C ALA A 90 -8.578 -11.841 -2.316 1.00 45.22 C ATOM 1379 O ALA A 90 -9.128 -12.569 -3.142 1.00 1.13 O ATOM 1380 CB ALA A 90 -8.214 -10.207 -4.178 1.00 33.05 C ATOM 0 H ALA A 90 -5.992 -10.765 -2.988 1.00 0.43 H new ATOM 0 HA ALA A 90 -8.608 -9.708 -2.162 1.00 75.24 H new ATOM 0 HB1 ALA A 90 -9.270 -10.274 -4.440 1.00 33.05 H new ATOM 0 HB2 ALA A 90 -7.844 -9.209 -4.413 1.00 33.05 H new ATOM 0 HB3 ALA A 90 -7.651 -10.946 -4.748 1.00 33.05 H new ATOM 1386 N GLY A 91 -8.396 -12.171 -1.046 1.00 72.10 N ATOM 1387 CA GLY A 91 -8.843 -13.444 -0.528 1.00 72.44 C ATOM 1388 C GLY A 91 -8.367 -13.670 0.890 1.00 51.35 C ATOM 1389 O GLY A 91 -8.975 -14.431 1.643 1.00 44.12 O ATOM 0 H GLY A 91 -7.941 -11.570 -0.359 1.00 72.10 H new ATOM 0 HA2 GLY A 91 -9.932 -13.487 -0.557 1.00 72.44 H new ATOM 0 HA3 GLY A 91 -8.475 -14.246 -1.167 1.00 72.44 H new ATOM 1393 N ALA A 92 -7.275 -13.002 1.261 1.00 43.32 N ATOM 1394 CA ALA A 92 -6.727 -13.137 2.606 1.00 72.41 C ATOM 1395 C ALA A 92 -6.593 -11.777 3.290 1.00 74.42 C ATOM 1396 O ALA A 92 -5.504 -11.384 3.709 1.00 70.33 O ATOM 1397 CB ALA A 92 -5.384 -13.854 2.562 1.00 31.53 C ATOM 0 H ALA A 92 -6.757 -12.367 0.653 1.00 43.32 H new ATOM 0 HA ALA A 92 -7.422 -13.736 3.195 1.00 72.41 H new ATOM 0 HB1 ALA A 92 -4.988 -13.947 3.573 1.00 31.53 H new ATOM 0 HB2 ALA A 92 -5.515 -14.847 2.131 1.00 31.53 H new ATOM 0 HB3 ALA A 92 -4.686 -13.282 1.950 1.00 31.53 H new ATOM 1403 N LYS A 93 -7.712 -11.067 3.406 1.00 63.44 N ATOM 1404 CA LYS A 93 -7.730 -9.755 4.048 1.00 62.03 C ATOM 1405 C LYS A 93 -7.914 -9.890 5.562 1.00 52.40 C ATOM 1406 O LYS A 93 -8.147 -8.901 6.257 1.00 73.44 O ATOM 1407 CB LYS A 93 -8.856 -8.900 3.464 1.00 51.10 C ATOM 1408 CG LYS A 93 -10.239 -9.504 3.657 1.00 74.33 C ATOM 1409 CD LYS A 93 -10.878 -9.880 2.328 1.00 31.12 C ATOM 1410 CE LYS A 93 -11.517 -11.258 2.386 1.00 50.44 C ATOM 1411 NZ LYS A 93 -12.579 -11.335 3.426 1.00 73.13 N ATOM 0 H LYS A 93 -8.621 -11.379 3.063 1.00 63.44 H new ATOM 0 HA LYS A 93 -6.772 -9.270 3.858 1.00 62.03 H new ATOM 0 HB2 LYS A 93 -8.831 -7.914 3.928 1.00 51.10 H new ATOM 0 HB3 LYS A 93 -8.677 -8.756 2.399 1.00 51.10 H new ATOM 0 HG2 LYS A 93 -10.165 -10.389 4.289 1.00 74.33 H new ATOM 0 HG3 LYS A 93 -10.878 -8.792 4.180 1.00 74.33 H new ATOM 0 HD2 LYS A 93 -11.632 -9.139 2.064 1.00 31.12 H new ATOM 0 HD3 LYS A 93 -10.123 -9.861 1.542 1.00 31.12 H new ATOM 0 HE2 LYS A 93 -11.944 -11.501 1.413 1.00 50.44 H new ATOM 0 HE3 LYS A 93 -10.751 -12.005 2.594 1.00 50.44 H new ATOM 0 HZ1 LYS A 93 -13.058 -12.256 3.365 1.00 73.13 H new ATOM 0 HZ2 LYS A 93 -12.151 -11.229 4.368 1.00 73.13 H new ATOM 0 HZ3 LYS A 93 -13.271 -10.574 3.273 1.00 73.13 H new ATOM 1425 N GLY A 94 -7.805 -11.120 6.067 1.00 31.24 N ATOM 1426 CA GLY A 94 -7.958 -11.362 7.489 1.00 21.30 C ATOM 1427 C GLY A 94 -6.622 -11.496 8.188 1.00 43.25 C ATOM 1428 O GLY A 94 -6.510 -11.238 9.387 1.00 34.03 O ATOM 0 H GLY A 94 -7.613 -11.954 5.511 1.00 31.24 H new ATOM 0 HA2 GLY A 94 -8.521 -10.544 7.938 1.00 21.30 H new ATOM 0 HA3 GLY A 94 -8.540 -12.271 7.642 1.00 21.30 H new ATOM 1432 N GLN A 95 -5.600 -11.876 7.428 1.00 30.14 N ATOM 1433 CA GLN A 95 -4.259 -12.016 7.966 1.00 32.12 C ATOM 1434 C GLN A 95 -3.239 -11.481 6.967 1.00 35.41 C ATOM 1435 O GLN A 95 -2.316 -12.184 6.559 1.00 1.14 O ATOM 1436 CB GLN A 95 -3.949 -13.474 8.299 1.00 22.32 C ATOM 1437 CG GLN A 95 -2.546 -13.666 8.842 1.00 60.44 C ATOM 1438 CD GLN A 95 -2.510 -14.535 10.084 1.00 22.42 C ATOM 1439 OE1 GLN A 95 -2.618 -15.758 10.003 1.00 5.02 O ATOM 1440 NE2 GLN A 95 -2.359 -13.905 11.243 1.00 12.52 N ATOM 0 H GLN A 95 -5.679 -12.092 6.434 1.00 30.14 H new ATOM 0 HA GLN A 95 -4.200 -11.437 8.888 1.00 32.12 H new ATOM 0 HB2 GLN A 95 -4.670 -13.836 9.032 1.00 22.32 H new ATOM 0 HB3 GLN A 95 -4.073 -14.081 7.402 1.00 22.32 H new ATOM 0 HG2 GLN A 95 -1.921 -14.117 8.071 1.00 60.44 H new ATOM 0 HG3 GLN A 95 -2.114 -12.692 9.073 1.00 60.44 H new ATOM 0 HE21 GLN A 95 -2.273 -12.889 11.264 1.00 12.52 H new ATOM 0 HE22 GLN A 95 -2.329 -14.437 12.113 1.00 12.52 H new ATOM 1449 N PRO A 96 -3.419 -10.216 6.561 1.00 24.22 N ATOM 1450 CA PRO A 96 -2.545 -9.531 5.604 1.00 41.01 C ATOM 1451 C PRO A 96 -1.061 -9.792 5.821 1.00 1.53 C ATOM 1452 O PRO A 96 -0.665 -10.587 6.672 1.00 11.13 O ATOM 1453 CB PRO A 96 -2.834 -8.068 5.901 1.00 75.41 C ATOM 1454 CG PRO A 96 -4.264 -8.044 6.296 1.00 12.13 C ATOM 1455 CD PRO A 96 -4.529 -9.346 6.998 1.00 13.13 C ATOM 0 HA PRO A 96 -2.739 -9.864 4.584 1.00 41.01 H new ATOM 0 HB2 PRO A 96 -2.195 -7.692 6.700 1.00 75.41 H new ATOM 0 HB3 PRO A 96 -2.653 -7.442 5.027 1.00 75.41 H new ATOM 0 HG2 PRO A 96 -4.472 -7.199 6.952 1.00 12.13 H new ATOM 0 HG3 PRO A 96 -4.907 -7.935 5.423 1.00 12.13 H new ATOM 0 HD2 PRO A 96 -4.537 -9.222 8.081 1.00 13.13 H new ATOM 0 HD3 PRO A 96 -5.497 -9.762 6.718 1.00 13.13 H new ATOM 1463 N VAL A 97 -0.244 -9.075 5.060 1.00 3.32 N ATOM 1464 CA VAL A 97 1.189 -9.188 5.178 1.00 62.24 C ATOM 1465 C VAL A 97 1.756 -7.930 5.806 1.00 12.14 C ATOM 1466 O VAL A 97 2.223 -7.033 5.105 1.00 15.12 O ATOM 1467 CB VAL A 97 1.860 -9.427 3.817 1.00 14.00 C ATOM 1468 CG1 VAL A 97 3.345 -9.702 4.000 1.00 44.42 C ATOM 1469 CG2 VAL A 97 1.176 -10.574 3.084 1.00 64.03 C ATOM 0 H VAL A 97 -0.559 -8.409 4.354 1.00 3.32 H new ATOM 0 HA VAL A 97 1.398 -10.050 5.812 1.00 62.24 H new ATOM 0 HB VAL A 97 1.756 -8.528 3.210 1.00 14.00 H new ATOM 0 HG11 VAL A 97 3.807 -9.869 3.027 1.00 44.42 H new ATOM 0 HG12 VAL A 97 3.817 -8.846 4.483 1.00 44.42 H new ATOM 0 HG13 VAL A 97 3.477 -10.588 4.621 1.00 44.42 H new ATOM 0 HG21 VAL A 97 1.662 -10.732 2.121 1.00 64.03 H new ATOM 0 HG22 VAL A 97 1.250 -11.483 3.681 1.00 64.03 H new ATOM 0 HG23 VAL A 97 0.126 -10.329 2.924 1.00 64.03 H new ATOM 1479 N THR A 98 1.701 -7.872 7.133 1.00 41.44 N ATOM 1480 CA THR A 98 2.217 -6.726 7.866 1.00 64.43 C ATOM 1481 C THR A 98 3.703 -6.577 7.586 1.00 21.02 C ATOM 1482 O THR A 98 4.444 -7.560 7.583 1.00 30.03 O ATOM 1483 CB THR A 98 1.967 -6.891 9.364 1.00 34.02 C ATOM 1484 OG1 THR A 98 2.540 -5.818 10.090 1.00 24.31 O ATOM 1485 CG2 THR A 98 2.527 -8.180 9.927 1.00 50.13 C ATOM 0 H THR A 98 1.304 -8.606 7.720 1.00 41.44 H new ATOM 0 HA THR A 98 1.698 -5.826 7.536 1.00 64.43 H new ATOM 0 HB THR A 98 0.883 -6.907 9.475 1.00 34.02 H new ATOM 0 HG1 THR A 98 2.367 -5.941 11.047 1.00 24.31 H new ATOM 0 HG21 THR A 98 2.315 -8.233 10.995 1.00 50.13 H new ATOM 0 HG22 THR A 98 2.065 -9.028 9.422 1.00 50.13 H new ATOM 0 HG23 THR A 98 3.605 -8.208 9.770 1.00 50.13 H new ATOM 1493 N TYR A 99 4.128 -5.357 7.307 1.00 11.02 N ATOM 1494 CA TYR A 99 5.518 -5.105 6.974 1.00 35.40 C ATOM 1495 C TYR A 99 6.025 -3.805 7.589 1.00 21.30 C ATOM 1496 O TYR A 99 5.283 -3.096 8.265 1.00 23.13 O ATOM 1497 CB TYR A 99 5.653 -5.065 5.455 1.00 10.30 C ATOM 1498 CG TYR A 99 6.534 -6.155 4.898 1.00 52.22 C ATOM 1499 CD1 TYR A 99 6.009 -7.412 4.618 1.00 4.22 C ATOM 1500 CD2 TYR A 99 7.883 -5.936 4.654 1.00 32.43 C ATOM 1501 CE1 TYR A 99 6.807 -8.420 4.110 1.00 35.13 C ATOM 1502 CE2 TYR A 99 8.687 -6.939 4.146 1.00 14.41 C ATOM 1503 CZ TYR A 99 8.145 -8.178 3.876 1.00 52.53 C ATOM 1504 OH TYR A 99 8.942 -9.179 3.371 1.00 43.14 O ATOM 0 H TYR A 99 3.533 -4.529 7.304 1.00 11.02 H new ATOM 0 HA TYR A 99 6.129 -5.908 7.387 1.00 35.40 H new ATOM 0 HB2 TYR A 99 4.662 -5.147 5.008 1.00 10.30 H new ATOM 0 HB3 TYR A 99 6.057 -4.097 5.160 1.00 10.30 H new ATOM 0 HD1 TYR A 99 4.962 -7.604 4.800 1.00 4.22 H new ATOM 0 HD2 TYR A 99 8.311 -4.967 4.864 1.00 32.43 H new ATOM 0 HE1 TYR A 99 6.386 -9.391 3.898 1.00 35.13 H new ATOM 0 HE2 TYR A 99 9.735 -6.753 3.961 1.00 14.41 H new ATOM 0 HH TYR A 99 9.857 -8.846 3.263 1.00 43.14 H new ATOM 1514 N SER A 100 7.297 -3.503 7.349 1.00 31.31 N ATOM 1515 CA SER A 100 7.911 -2.289 7.877 1.00 32.14 C ATOM 1516 C SER A 100 8.433 -1.391 6.752 1.00 23.31 C ATOM 1517 O SER A 100 8.819 -0.248 6.993 1.00 62.10 O ATOM 1518 CB SER A 100 9.055 -2.646 8.828 1.00 40.51 C ATOM 1519 OG SER A 100 10.059 -3.391 8.162 1.00 1.21 O ATOM 0 H SER A 100 7.924 -4.083 6.791 1.00 31.31 H new ATOM 0 HA SER A 100 7.144 -1.739 8.422 1.00 32.14 H new ATOM 0 HB2 SER A 100 9.488 -1.734 9.240 1.00 40.51 H new ATOM 0 HB3 SER A 100 8.667 -3.222 9.668 1.00 40.51 H new ATOM 0 HG SER A 100 10.779 -3.605 8.791 1.00 1.21 H new ATOM 1525 N GLY A 101 8.443 -1.911 5.526 1.00 13.00 N ATOM 1526 CA GLY A 101 8.919 -1.134 4.395 1.00 32.02 C ATOM 1527 C GLY A 101 10.402 -1.322 4.140 1.00 62.13 C ATOM 1528 O GLY A 101 11.226 -1.080 5.022 1.00 15.31 O ATOM 0 H GLY A 101 8.130 -2.855 5.297 1.00 13.00 H new ATOM 0 HA2 GLY A 101 8.362 -1.420 3.503 1.00 32.02 H new ATOM 0 HA3 GLY A 101 8.716 -0.078 4.573 1.00 32.02 H new ATOM 1532 N SER A 102 10.743 -1.757 2.930 1.00 50.31 N ATOM 1533 CA SER A 102 12.137 -1.979 2.561 1.00 71.21 C ATOM 1534 C SER A 102 12.677 -0.839 1.696 1.00 63.42 C ATOM 1535 O SER A 102 13.858 -0.821 1.350 1.00 24.21 O ATOM 1536 CB SER A 102 12.281 -3.308 1.816 1.00 23.50 C ATOM 1537 OG SER A 102 11.892 -4.396 2.636 1.00 75.23 O ATOM 0 H SER A 102 10.073 -1.963 2.189 1.00 50.31 H new ATOM 0 HA SER A 102 12.722 -2.012 3.480 1.00 71.21 H new ATOM 0 HB2 SER A 102 11.669 -3.291 0.914 1.00 23.50 H new ATOM 0 HB3 SER A 102 13.315 -3.440 1.497 1.00 23.50 H new ATOM 0 HG SER A 102 11.991 -5.234 2.137 1.00 75.23 H new ATOM 1543 N ARG A 103 11.812 0.112 1.351 1.00 13.43 N ATOM 1544 CA ARG A 103 12.213 1.251 0.530 1.00 74.42 C ATOM 1545 C ARG A 103 12.718 0.795 -0.836 1.00 52.14 C ATOM 1546 O ARG A 103 13.760 1.251 -1.308 1.00 2.14 O ATOM 1547 CB ARG A 103 13.295 2.063 1.244 1.00 32.55 C ATOM 1548 CG ARG A 103 12.777 2.854 2.434 1.00 62.25 C ATOM 1549 CD ARG A 103 13.084 2.151 3.747 1.00 24.05 C ATOM 1550 NE ARG A 103 14.411 2.493 4.254 1.00 31.04 N ATOM 1551 CZ ARG A 103 15.037 1.811 5.210 1.00 1.13 C ATOM 1552 NH1 ARG A 103 14.461 0.752 5.766 1.00 72.31 N ATOM 1553 NH2 ARG A 103 16.242 2.189 5.614 1.00 73.50 N ATOM 0 H ARG A 103 10.830 0.116 1.627 1.00 13.43 H new ATOM 0 HA ARG A 103 11.336 1.880 0.376 1.00 74.42 H new ATOM 0 HB2 ARG A 103 14.081 1.387 1.582 1.00 32.55 H new ATOM 0 HB3 ARG A 103 13.751 2.751 0.532 1.00 32.55 H new ATOM 0 HG2 ARG A 103 13.229 3.846 2.437 1.00 62.25 H new ATOM 0 HG3 ARG A 103 11.700 2.994 2.338 1.00 62.25 H new ATOM 0 HD2 ARG A 103 12.332 2.422 4.488 1.00 24.05 H new ATOM 0 HD3 ARG A 103 13.017 1.072 3.605 1.00 24.05 H new ATOM 0 HE ARG A 103 14.885 3.302 3.852 1.00 31.04 H new ATOM 0 HH11 ARG A 103 13.534 0.457 5.461 1.00 72.31 H new ATOM 0 HH12 ARG A 103 14.946 0.233 6.498 1.00 72.31 H new ATOM 0 HH21 ARG A 103 16.689 3.003 5.192 1.00 73.50 H new ATOM 0 HH22 ARG A 103 16.722 1.666 6.347 1.00 73.50 H new ATOM 1567 N THR A 104 11.973 -0.105 -1.469 1.00 51.13 N ATOM 1568 CA THR A 104 12.347 -0.616 -2.782 1.00 63.43 C ATOM 1569 C THR A 104 11.132 -1.173 -3.520 1.00 10.52 C ATOM 1570 O THR A 104 10.349 -1.939 -2.959 1.00 43.31 O ATOM 1571 CB THR A 104 13.420 -1.698 -2.643 1.00 53.32 C ATOM 1572 OG1 THR A 104 13.910 -2.086 -3.914 1.00 61.20 O ATOM 1573 CG2 THR A 104 12.927 -2.943 -1.939 1.00 35.33 C ATOM 0 H THR A 104 11.108 -0.495 -1.095 1.00 51.13 H new ATOM 0 HA THR A 104 12.750 0.212 -3.365 1.00 63.43 H new ATOM 0 HB THR A 104 14.207 -1.247 -2.039 1.00 53.32 H new ATOM 0 HG1 THR A 104 14.596 -2.777 -3.803 1.00 61.20 H new ATOM 0 HG21 THR A 104 13.737 -3.669 -1.874 1.00 35.33 H new ATOM 0 HG22 THR A 104 12.590 -2.684 -0.935 1.00 35.33 H new ATOM 0 HG23 THR A 104 12.098 -3.374 -2.500 1.00 35.33 H new ATOM 1581 N VAL A 105 10.986 -0.783 -4.783 1.00 53.23 N ATOM 1582 CA VAL A 105 9.872 -1.241 -5.604 1.00 31.22 C ATOM 1583 C VAL A 105 10.025 -2.715 -5.956 1.00 4.43 C ATOM 1584 O VAL A 105 9.039 -3.428 -6.139 1.00 4.43 O ATOM 1585 CB VAL A 105 9.769 -0.429 -6.909 1.00 25.14 C ATOM 1586 CG1 VAL A 105 8.588 -0.901 -7.743 1.00 41.23 C ATOM 1587 CG2 VAL A 105 9.660 1.056 -6.605 1.00 12.42 C ATOM 0 H VAL A 105 11.627 -0.149 -5.260 1.00 53.23 H new ATOM 0 HA VAL A 105 8.964 -1.097 -5.018 1.00 31.22 H new ATOM 0 HB VAL A 105 10.677 -0.591 -7.489 1.00 25.14 H new ATOM 0 HG11 VAL A 105 8.533 -0.315 -8.660 1.00 41.23 H new ATOM 0 HG12 VAL A 105 8.717 -1.954 -7.993 1.00 41.23 H new ATOM 0 HG13 VAL A 105 7.667 -0.773 -7.175 1.00 41.23 H new ATOM 0 HG21 VAL A 105 9.588 1.614 -7.538 1.00 12.42 H new ATOM 0 HG22 VAL A 105 8.770 1.240 -6.003 1.00 12.42 H new ATOM 0 HG23 VAL A 105 10.543 1.381 -6.055 1.00 12.42 H new ATOM 1597 N GLU A 106 11.267 -3.164 -6.049 1.00 21.14 N ATOM 1598 CA GLU A 106 11.552 -4.550 -6.379 1.00 34.33 C ATOM 1599 C GLU A 106 10.945 -5.471 -5.334 1.00 74.15 C ATOM 1600 O GLU A 106 10.422 -6.545 -5.649 1.00 5.20 O ATOM 1601 CB GLU A 106 13.061 -4.770 -6.453 1.00 44.31 C ATOM 1602 CG GLU A 106 13.805 -3.618 -7.103 1.00 51.44 C ATOM 1603 CD GLU A 106 14.709 -4.064 -8.235 1.00 53.01 C ATOM 1604 OE1 GLU A 106 15.434 -5.065 -8.057 1.00 13.12 O ATOM 1605 OE2 GLU A 106 14.693 -3.411 -9.300 1.00 0.23 O ATOM 0 H GLU A 106 12.095 -2.587 -5.900 1.00 21.14 H new ATOM 0 HA GLU A 106 11.112 -4.778 -7.350 1.00 34.33 H new ATOM 0 HB2 GLU A 106 13.449 -4.921 -5.446 1.00 44.31 H new ATOM 0 HB3 GLU A 106 13.261 -5.684 -7.012 1.00 44.31 H new ATOM 0 HG2 GLU A 106 13.084 -2.895 -7.484 1.00 51.44 H new ATOM 0 HG3 GLU A 106 14.402 -3.106 -6.348 1.00 51.44 H new ATOM 1612 N ASP A 107 10.997 -5.022 -4.089 1.00 22.20 N ATOM 1613 CA ASP A 107 10.439 -5.780 -2.985 1.00 22.14 C ATOM 1614 C ASP A 107 8.926 -5.688 -3.021 1.00 30.35 C ATOM 1615 O ASP A 107 8.229 -6.587 -2.558 1.00 45.13 O ATOM 1616 CB ASP A 107 10.967 -5.255 -1.648 1.00 34.21 C ATOM 1617 CG ASP A 107 10.497 -6.089 -0.473 1.00 23.23 C ATOM 1618 OD1 ASP A 107 11.013 -7.213 -0.298 1.00 53.32 O ATOM 1619 OD2 ASP A 107 9.611 -5.619 0.272 1.00 52.13 O ATOM 0 H ASP A 107 11.421 -4.134 -3.820 1.00 22.20 H new ATOM 0 HA ASP A 107 10.741 -6.823 -3.085 1.00 22.14 H new ATOM 0 HB2 ASP A 107 12.057 -5.245 -1.670 1.00 34.21 H new ATOM 0 HB3 ASP A 107 10.641 -4.224 -1.512 1.00 34.21 H new ATOM 1624 N LEU A 108 8.430 -4.592 -3.592 1.00 13.14 N ATOM 1625 CA LEU A 108 6.997 -4.367 -3.712 1.00 21.53 C ATOM 1626 C LEU A 108 6.389 -5.340 -4.700 1.00 44.54 C ATOM 1627 O LEU A 108 5.400 -6.013 -4.405 1.00 54.12 O ATOM 1628 CB LEU A 108 6.728 -2.936 -4.159 1.00 44.23 C ATOM 1629 CG LEU A 108 6.595 -1.932 -3.021 1.00 32.01 C ATOM 1630 CD1 LEU A 108 6.365 -0.530 -3.565 1.00 11.13 C ATOM 1631 CD2 LEU A 108 5.465 -2.340 -2.086 1.00 1.34 C ATOM 0 H LEU A 108 9.005 -3.844 -3.980 1.00 13.14 H new ATOM 0 HA LEU A 108 6.538 -4.528 -2.737 1.00 21.53 H new ATOM 0 HB2 LEU A 108 7.537 -2.616 -4.816 1.00 44.23 H new ATOM 0 HB3 LEU A 108 5.812 -2.920 -4.750 1.00 44.23 H new ATOM 0 HG LEU A 108 7.526 -1.926 -2.455 1.00 32.01 H new ATOM 0 HD11 LEU A 108 6.273 0.171 -2.736 1.00 11.13 H new ATOM 0 HD12 LEU A 108 7.208 -0.241 -4.193 1.00 11.13 H new ATOM 0 HD13 LEU A 108 5.450 -0.515 -4.157 1.00 11.13 H new ATOM 0 HD21 LEU A 108 5.381 -1.614 -1.278 1.00 1.34 H new ATOM 0 HD22 LEU A 108 4.528 -2.374 -2.641 1.00 1.34 H new ATOM 0 HD23 LEU A 108 5.676 -3.325 -1.669 1.00 1.34 H new ATOM 1643 N ILE A 109 6.999 -5.431 -5.869 1.00 64.31 N ATOM 1644 CA ILE A 109 6.532 -6.347 -6.889 1.00 13.12 C ATOM 1645 C ILE A 109 6.466 -7.754 -6.304 1.00 1.02 C ATOM 1646 O ILE A 109 5.411 -8.393 -6.298 1.00 62.41 O ATOM 1647 CB ILE A 109 7.470 -6.330 -8.111 1.00 55.13 C ATOM 1648 CG1 ILE A 109 7.543 -4.921 -8.701 1.00 63.20 C ATOM 1649 CG2 ILE A 109 7.012 -7.327 -9.167 1.00 5.30 C ATOM 1650 CD1 ILE A 109 8.886 -4.593 -9.318 1.00 65.14 C ATOM 0 H ILE A 109 7.817 -4.882 -6.133 1.00 64.31 H new ATOM 0 HA ILE A 109 5.541 -6.036 -7.218 1.00 13.12 H new ATOM 0 HB ILE A 109 8.466 -6.625 -7.780 1.00 55.13 H new ATOM 0 HG12 ILE A 109 6.768 -4.813 -9.459 1.00 63.20 H new ATOM 0 HG13 ILE A 109 7.326 -4.196 -7.917 1.00 63.20 H new ATOM 0 HG21 ILE A 109 7.692 -7.294 -10.018 1.00 5.30 H new ATOM 0 HG22 ILE A 109 7.010 -8.331 -8.743 1.00 5.30 H new ATOM 0 HG23 ILE A 109 6.005 -7.071 -9.497 1.00 5.30 H new ATOM 0 HD11 ILE A 109 8.865 -3.579 -9.716 1.00 65.14 H new ATOM 0 HD12 ILE A 109 9.664 -4.669 -8.558 1.00 65.14 H new ATOM 0 HD13 ILE A 109 9.097 -5.295 -10.124 1.00 65.14 H new ATOM 1662 N LYS A 110 7.595 -8.208 -5.768 1.00 11.50 N ATOM 1663 CA LYS A 110 7.666 -9.516 -5.143 1.00 41.30 C ATOM 1664 C LYS A 110 6.776 -9.553 -3.913 1.00 4.32 C ATOM 1665 O LYS A 110 6.427 -10.624 -3.416 1.00 2.43 O ATOM 1666 CB LYS A 110 9.107 -9.838 -4.752 1.00 41.03 C ATOM 1667 CG LYS A 110 9.810 -10.757 -5.736 1.00 60.41 C ATOM 1668 CD LYS A 110 9.847 -12.191 -5.233 1.00 43.44 C ATOM 1669 CE LYS A 110 10.860 -13.024 -6.002 1.00 44.51 C ATOM 1670 NZ LYS A 110 10.272 -13.614 -7.236 1.00 34.32 N ATOM 0 H LYS A 110 8.471 -7.686 -5.756 1.00 11.50 H new ATOM 0 HA LYS A 110 7.320 -10.264 -5.856 1.00 41.30 H new ATOM 0 HB2 LYS A 110 9.669 -8.908 -4.670 1.00 41.03 H new ATOM 0 HB3 LYS A 110 9.113 -10.302 -3.766 1.00 41.03 H new ATOM 0 HG2 LYS A 110 9.298 -10.721 -6.698 1.00 60.41 H new ATOM 0 HG3 LYS A 110 10.827 -10.403 -5.903 1.00 60.41 H new ATOM 0 HD2 LYS A 110 10.097 -12.199 -4.172 1.00 43.44 H new ATOM 0 HD3 LYS A 110 8.858 -12.638 -5.331 1.00 43.44 H new ATOM 0 HE2 LYS A 110 11.714 -12.402 -6.269 1.00 44.51 H new ATOM 0 HE3 LYS A 110 11.235 -13.822 -5.361 1.00 44.51 H new ATOM 0 HZ1 LYS A 110 10.995 -14.174 -7.731 1.00 34.32 H new ATOM 0 HZ2 LYS A 110 9.473 -14.228 -6.980 1.00 34.32 H new ATOM 0 HZ3 LYS A 110 9.937 -12.852 -7.860 1.00 34.32 H new ATOM 1684 N PHE A 111 6.414 -8.372 -3.423 1.00 33.42 N ATOM 1685 CA PHE A 111 5.573 -8.267 -2.257 1.00 12.40 C ATOM 1686 C PHE A 111 4.197 -8.827 -2.544 1.00 40.41 C ATOM 1687 O PHE A 111 3.893 -9.954 -2.178 1.00 21.53 O ATOM 1688 CB PHE A 111 5.465 -6.816 -1.825 1.00 64.35 C ATOM 1689 CG PHE A 111 5.155 -6.624 -0.370 1.00 33.13 C ATOM 1690 CD1 PHE A 111 4.054 -7.240 0.202 1.00 43.23 C ATOM 1691 CD2 PHE A 111 5.956 -5.819 0.423 1.00 12.22 C ATOM 1692 CE1 PHE A 111 3.757 -7.057 1.537 1.00 33.12 C ATOM 1693 CE2 PHE A 111 5.664 -5.634 1.761 1.00 2.32 C ATOM 1694 CZ PHE A 111 4.562 -6.253 2.317 1.00 24.21 C ATOM 0 H PHE A 111 6.696 -7.477 -3.823 1.00 33.42 H new ATOM 0 HA PHE A 111 6.022 -8.847 -1.450 1.00 12.40 H new ATOM 0 HB2 PHE A 111 6.403 -6.311 -2.054 1.00 64.35 H new ATOM 0 HB3 PHE A 111 4.689 -6.330 -2.417 1.00 64.35 H new ATOM 0 HD1 PHE A 111 3.421 -7.871 -0.404 1.00 43.23 H new ATOM 0 HD2 PHE A 111 6.817 -5.331 -0.009 1.00 12.22 H new ATOM 0 HE1 PHE A 111 2.895 -7.543 1.971 1.00 33.12 H new ATOM 0 HE2 PHE A 111 6.297 -5.006 2.371 1.00 2.32 H new ATOM 0 HZ PHE A 111 4.330 -6.108 3.362 1.00 24.21 H new ATOM 1704 N ILE A 112 3.377 -8.045 -3.232 1.00 71.40 N ATOM 1705 CA ILE A 112 2.039 -8.485 -3.584 1.00 72.10 C ATOM 1706 C ILE A 112 2.102 -9.648 -4.563 1.00 63.21 C ATOM 1707 O ILE A 112 1.083 -10.237 -4.909 1.00 61.34 O ATOM 1708 CB ILE A 112 1.208 -7.344 -4.208 1.00 62.25 C ATOM 1709 CG1 ILE A 112 1.503 -6.015 -3.506 1.00 44.50 C ATOM 1710 CG2 ILE A 112 -0.277 -7.670 -4.132 1.00 72.03 C ATOM 1711 CD1 ILE A 112 2.453 -5.123 -4.276 1.00 24.14 C ATOM 0 H ILE A 112 3.615 -7.107 -3.555 1.00 71.40 H new ATOM 0 HA ILE A 112 1.553 -8.803 -2.662 1.00 72.10 H new ATOM 0 HB ILE A 112 1.489 -7.245 -5.257 1.00 62.25 H new ATOM 0 HG12 ILE A 112 0.566 -5.482 -3.346 1.00 44.50 H new ATOM 0 HG13 ILE A 112 1.926 -6.219 -2.522 1.00 44.50 H new ATOM 0 HG21 ILE A 112 -0.851 -6.857 -4.576 1.00 72.03 H new ATOM 0 HG22 ILE A 112 -0.475 -8.593 -4.676 1.00 72.03 H new ATOM 0 HG23 ILE A 112 -0.569 -7.794 -3.089 1.00 72.03 H new ATOM 0 HD11 ILE A 112 2.616 -4.200 -3.720 1.00 24.14 H new ATOM 0 HD12 ILE A 112 3.404 -5.637 -4.413 1.00 24.14 H new ATOM 0 HD13 ILE A 112 2.023 -4.889 -5.250 1.00 24.14 H new ATOM 1723 N ALA A 113 3.312 -9.987 -4.994 1.00 65.34 N ATOM 1724 CA ALA A 113 3.497 -11.097 -5.935 1.00 25.50 C ATOM 1725 C ALA A 113 3.806 -12.395 -5.205 1.00 50.32 C ATOM 1726 O ALA A 113 3.602 -13.485 -5.739 1.00 62.32 O ATOM 1727 CB ALA A 113 4.593 -10.784 -6.939 1.00 31.51 C ATOM 0 H ALA A 113 4.173 -9.518 -4.714 1.00 65.34 H new ATOM 0 HA ALA A 113 2.559 -11.225 -6.476 1.00 25.50 H new ATOM 0 HB1 ALA A 113 4.709 -11.624 -7.624 1.00 31.51 H new ATOM 0 HB2 ALA A 113 4.326 -9.890 -7.502 1.00 31.51 H new ATOM 0 HB3 ALA A 113 5.532 -10.614 -6.412 1.00 31.51 H new ATOM 1733 N GLU A 114 4.273 -12.269 -3.974 1.00 22.41 N ATOM 1734 CA GLU A 114 4.585 -13.431 -3.148 1.00 51.43 C ATOM 1735 C GLU A 114 3.662 -13.432 -1.943 1.00 52.15 C ATOM 1736 O GLU A 114 3.393 -14.465 -1.330 1.00 3.41 O ATOM 1737 CB GLU A 114 6.046 -13.397 -2.696 1.00 23.01 C ATOM 1738 CG GLU A 114 7.038 -13.396 -3.848 1.00 60.52 C ATOM 1739 CD GLU A 114 7.930 -14.622 -3.853 1.00 52.03 C ATOM 1740 OE1 GLU A 114 7.410 -15.734 -4.084 1.00 33.21 O ATOM 1741 OE2 GLU A 114 9.149 -14.471 -3.626 1.00 21.42 O ATOM 0 H GLU A 114 4.446 -11.372 -3.520 1.00 22.41 H new ATOM 0 HA GLU A 114 4.437 -14.341 -3.730 1.00 51.43 H new ATOM 0 HB2 GLU A 114 6.209 -12.508 -2.086 1.00 23.01 H new ATOM 0 HB3 GLU A 114 6.241 -14.260 -2.060 1.00 23.01 H new ATOM 0 HG2 GLU A 114 6.494 -13.344 -4.791 1.00 60.52 H new ATOM 0 HG3 GLU A 114 7.658 -12.501 -3.788 1.00 60.52 H new ATOM 1748 N ASN A 115 3.178 -12.240 -1.633 1.00 45.32 N ATOM 1749 CA ASN A 115 2.278 -12.005 -0.541 1.00 63.32 C ATOM 1750 C ASN A 115 0.857 -11.923 -1.065 1.00 23.34 C ATOM 1751 O ASN A 115 -0.098 -12.282 -0.377 1.00 24.10 O ATOM 1752 CB ASN A 115 2.675 -10.691 0.109 1.00 63.53 C ATOM 1753 CG ASN A 115 3.957 -10.821 0.896 1.00 20.43 C ATOM 1754 OD1 ASN A 115 3.979 -11.340 2.010 1.00 74.23 O ATOM 1755 ND2 ASN A 115 5.038 -10.358 0.295 1.00 70.42 N ATOM 0 H ASN A 115 3.413 -11.395 -2.154 1.00 45.32 H new ATOM 0 HA ASN A 115 2.330 -12.815 0.187 1.00 63.32 H new ATOM 0 HB2 ASN A 115 2.796 -9.927 -0.659 1.00 63.53 H new ATOM 0 HB3 ASN A 115 1.875 -10.356 0.769 1.00 63.53 H new ATOM 0 HD21 ASN A 115 5.945 -10.423 0.757 1.00 70.42 H new ATOM 0 HD22 ASN A 115 4.966 -9.936 -0.631 1.00 70.42 H new ATOM 1762 N GLY A 116 0.731 -11.441 -2.299 1.00 52.13 N ATOM 1763 CA GLY A 116 -0.564 -11.314 -2.906 1.00 0.40 C ATOM 1764 C GLY A 116 -1.087 -12.626 -3.446 1.00 4.13 C ATOM 1765 O GLY A 116 -0.315 -13.538 -3.741 1.00 12.25 O ATOM 0 H GLY A 116 1.511 -11.138 -2.883 1.00 52.13 H new ATOM 0 HA2 GLY A 116 -1.268 -10.922 -2.172 1.00 0.40 H new ATOM 0 HA3 GLY A 116 -0.511 -10.587 -3.717 1.00 0.40 H new ATOM 1769 N LYS A 117 -2.401 -12.710 -3.599 1.00 30.14 N ATOM 1770 CA LYS A 117 -3.032 -13.907 -4.136 1.00 65.20 C ATOM 1771 C LYS A 117 -3.071 -13.795 -5.643 1.00 20.51 C ATOM 1772 O LYS A 117 -2.949 -14.782 -6.367 1.00 72.22 O ATOM 1773 CB LYS A 117 -4.452 -14.063 -3.597 1.00 72.12 C ATOM 1774 CG LYS A 117 -4.524 -14.139 -2.081 1.00 74.02 C ATOM 1775 CD LYS A 117 -4.307 -15.559 -1.584 1.00 64.42 C ATOM 1776 CE LYS A 117 -3.475 -15.583 -0.312 1.00 24.11 C ATOM 1777 NZ LYS A 117 -2.044 -15.888 -0.589 1.00 51.02 N ATOM 0 H LYS A 117 -3.052 -11.962 -3.358 1.00 30.14 H new ATOM 0 HA LYS A 117 -2.457 -14.782 -3.833 1.00 65.20 H new ATOM 0 HB2 LYS A 117 -5.056 -13.222 -3.939 1.00 72.12 H new ATOM 0 HB3 LYS A 117 -4.894 -14.965 -4.019 1.00 72.12 H new ATOM 0 HG2 LYS A 117 -3.771 -13.481 -1.646 1.00 74.02 H new ATOM 0 HG3 LYS A 117 -5.496 -13.779 -1.743 1.00 74.02 H new ATOM 0 HD2 LYS A 117 -5.271 -16.032 -1.398 1.00 64.42 H new ATOM 0 HD3 LYS A 117 -3.809 -16.144 -2.357 1.00 64.42 H new ATOM 0 HE2 LYS A 117 -3.550 -14.618 0.189 1.00 24.11 H new ATOM 0 HE3 LYS A 117 -3.879 -16.329 0.372 1.00 24.11 H new ATOM 0 HZ1 LYS A 117 -1.511 -15.895 0.304 1.00 51.02 H new ATOM 0 HZ2 LYS A 117 -1.969 -16.820 -1.044 1.00 51.02 H new ATOM 0 HZ3 LYS A 117 -1.650 -15.162 -1.221 1.00 51.02 H new ATOM 1791 N TYR A 118 -3.229 -12.562 -6.096 1.00 41.14 N ATOM 1792 CA TYR A 118 -3.269 -12.259 -7.506 1.00 54.21 C ATOM 1793 C TYR A 118 -1.895 -12.487 -8.133 1.00 31.22 C ATOM 1794 O TYR A 118 -1.776 -12.674 -9.344 1.00 64.22 O ATOM 1795 CB TYR A 118 -3.707 -10.809 -7.699 1.00 73.14 C ATOM 1796 CG TYR A 118 -5.113 -10.663 -8.234 1.00 21.42 C ATOM 1797 CD1 TYR A 118 -5.368 -10.701 -9.599 1.00 22.41 C ATOM 1798 CD2 TYR A 118 -6.185 -10.488 -7.370 1.00 31.41 C ATOM 1799 CE1 TYR A 118 -6.654 -10.567 -10.087 1.00 2.21 C ATOM 1800 CE2 TYR A 118 -7.473 -10.354 -7.849 1.00 61.32 C ATOM 1801 CZ TYR A 118 -7.703 -10.395 -9.208 1.00 61.51 C ATOM 1802 OH TYR A 118 -8.985 -10.262 -9.690 1.00 31.31 O ATOM 0 H TYR A 118 -3.333 -11.747 -5.491 1.00 41.14 H new ATOM 0 HA TYR A 118 -3.984 -12.918 -7.998 1.00 54.21 H new ATOM 0 HB2 TYR A 118 -3.635 -10.287 -6.745 1.00 73.14 H new ATOM 0 HB3 TYR A 118 -3.015 -10.318 -8.383 1.00 73.14 H new ATOM 0 HD1 TYR A 118 -4.549 -10.837 -10.289 1.00 22.41 H new ATOM 0 HD2 TYR A 118 -6.009 -10.456 -6.305 1.00 31.41 H new ATOM 0 HE1 TYR A 118 -6.837 -10.597 -11.151 1.00 2.21 H new ATOM 0 HE2 TYR A 118 -8.296 -10.218 -7.163 1.00 61.32 H new ATOM 0 HH TYR A 118 -9.606 -10.150 -8.940 1.00 31.31 H new ATOM 1812 N LYS A 119 -0.856 -12.473 -7.294 1.00 14.21 N ATOM 1813 CA LYS A 119 0.508 -12.680 -7.759 1.00 21.52 C ATOM 1814 C LYS A 119 0.907 -11.626 -8.782 1.00 1.24 C ATOM 1815 O LYS A 119 1.509 -11.939 -9.810 1.00 32.33 O ATOM 1816 CB LYS A 119 0.663 -14.075 -8.358 1.00 42.53 C ATOM 1817 CG LYS A 119 -0.053 -15.162 -7.575 1.00 41.10 C ATOM 1818 CD LYS A 119 0.514 -15.299 -6.172 1.00 73.22 C ATOM 1819 CE LYS A 119 -0.262 -16.318 -5.354 1.00 43.03 C ATOM 1820 NZ LYS A 119 0.574 -16.921 -4.280 1.00 25.12 N ATOM 0 H LYS A 119 -0.939 -12.320 -6.289 1.00 14.21 H new ATOM 0 HA LYS A 119 1.170 -12.588 -6.898 1.00 21.52 H new ATOM 0 HB2 LYS A 119 0.283 -14.066 -9.379 1.00 42.53 H new ATOM 0 HB3 LYS A 119 1.724 -14.320 -8.415 1.00 42.53 H new ATOM 0 HG2 LYS A 119 -1.117 -14.931 -7.518 1.00 41.10 H new ATOM 0 HG3 LYS A 119 0.039 -16.112 -8.101 1.00 41.10 H new ATOM 0 HD2 LYS A 119 1.561 -15.598 -6.229 1.00 73.22 H new ATOM 0 HD3 LYS A 119 0.486 -14.331 -5.671 1.00 73.22 H new ATOM 0 HE2 LYS A 119 -1.134 -15.838 -4.909 1.00 43.03 H new ATOM 0 HE3 LYS A 119 -0.632 -17.105 -6.011 1.00 43.03 H new ATOM 0 HZ1 LYS A 119 0.008 -17.610 -3.745 1.00 25.12 H new ATOM 0 HZ2 LYS A 119 1.393 -17.401 -4.706 1.00 25.12 H new ATOM 0 HZ3 LYS A 119 0.906 -16.174 -3.638 1.00 25.12 H new ATOM 1834 N ALA A 120 0.581 -10.375 -8.489 1.00 74.40 N ATOM 1835 CA ALA A 120 0.921 -9.276 -9.380 1.00 54.30 C ATOM 1836 C ALA A 120 2.410 -8.971 -9.297 1.00 30.52 C ATOM 1837 O ALA A 120 2.887 -8.427 -8.301 1.00 33.35 O ATOM 1838 CB ALA A 120 0.104 -8.042 -9.036 1.00 64.55 C ATOM 0 H ALA A 120 0.083 -10.097 -7.644 1.00 74.40 H new ATOM 0 HA ALA A 120 0.684 -9.570 -10.402 1.00 54.30 H new ATOM 0 HB1 ALA A 120 0.370 -7.229 -9.712 1.00 64.55 H new ATOM 0 HB2 ALA A 120 -0.957 -8.268 -9.140 1.00 64.55 H new ATOM 0 HB3 ALA A 120 0.312 -7.743 -8.009 1.00 64.55 H new ATOM 1844 N ALA A 121 3.141 -9.325 -10.346 1.00 10.42 N ATOM 1845 CA ALA A 121 4.577 -9.089 -10.386 1.00 22.33 C ATOM 1846 C ALA A 121 5.023 -8.646 -11.776 1.00 32.25 C ATOM 1847 O ALA A 121 5.562 -7.525 -11.894 1.00 52.14 O ATOM 1848 CB ALA A 121 5.327 -10.343 -9.961 1.00 73.22 C ATOM 1849 OXT ALA A 121 4.830 -9.423 -12.734 1.00 38.03 O ATOM 0 H ALA A 121 2.763 -9.776 -11.179 1.00 10.42 H new ATOM 0 HA ALA A 121 4.809 -8.285 -9.688 1.00 22.33 H new ATOM 0 HB1 ALA A 121 6.400 -10.154 -9.995 1.00 73.22 H new ATOM 0 HB2 ALA A 121 5.038 -10.613 -8.945 1.00 73.22 H new ATOM 0 HB3 ALA A 121 5.081 -11.161 -10.638 1.00 73.22 H new