USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 888 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 80 GLN : amide:sc= -0.0361! C(o=-0.081!,f=-4.3!) USER MOD Set 1.2: A 84 THR OG1 : rot -4:sc= -0.0454 USER MOD Set 2.1: A 25 THR OG1 : rot -75:sc= 1.01 USER MOD Set 2.2: A 26 LYS NZ :NH3+ 158:sc= 0.923 (180deg=-0.248!) USER MOD Set 3.1: A 17 TYR OH : rot 27:sc= 1.26 USER MOD Set 3.2: A 88 TYR OH : rot 32:sc= 0.727 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= -0.0407 (180deg=-0.239) USER MOD Single : A 16 ASN : amide:sc= -1.4 K(o=-1.4,f=-2.4!) USER MOD Single : A 18 ASN : amide:sc= 0.166 K(o=0.17,f=-4.5!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot -170:sc= 0.404 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 40 CYS SG : rot 170:sc= -2.92! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= -0.709 (180deg=-0.809) USER MOD Single : A 47 TYR OH : rot 179:sc= -0.0155 USER MOD Single : A 54 TYR OH : rot -140:sc= 1.19 USER MOD Single : A 56 LYS NZ :NH3+ -162:sc= -0.0518 (180deg=-0.3) USER MOD Single : A 57 SER OG : rot -124:sc= 0.43 USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= 0.155 (180deg=0.0326) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.582 X(o=-0.58,f=-0.32) USER MOD Single : A 86 LYS NZ :NH3+ -163:sc= 2.31 (180deg=1.94) USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= 2.3 (180deg=2.05) USER MOD Single : A 95 GLN :FLIP amide:sc= -0.186 F(o=-1.4!,f=-0.19) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.021 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0.182 USER MOD Single : A 102 SER OG : rot 118:sc= 0.808 USER MOD Single : A 104 THR OG1 : rot -171:sc= 0.723 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -1.69 K(o=-1.7,f=-4.5!) USER MOD Single : A 117 LYS NZ :NH3+ 164:sc= 0.195 (180deg=0.151) USER MOD Single : A 118 TYR OH : rot -135:sc= 1.18 USER MOD Single : A 119 LYS NZ :NH3+ 168:sc= 0.778 (180deg=0.709) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 8 2.646 10.940 -3.310 1.00 0.00 N ATOM 84 CA PRO A 8 3.895 10.184 -3.565 1.00 0.00 C ATOM 85 C PRO A 8 3.612 8.703 -3.680 1.00 0.00 C ATOM 86 O PRO A 8 4.288 7.968 -4.408 1.00 0.00 O ATOM 87 CB PRO A 8 4.715 10.418 -2.306 1.00 0.00 C ATOM 88 CG PRO A 8 3.745 10.875 -1.291 1.00 0.00 C ATOM 89 CD PRO A 8 2.677 11.608 -2.014 1.00 0.00 C ATOM 0 HA PRO A 8 4.384 10.499 -4.487 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.217 9.504 -1.988 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.490 11.165 -2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.330 10.028 -0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.229 11.521 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.719 11.537 -1.500 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.909 12.669 -2.111 1.00 0.00 H new ATOM 97 N VAL A 9 2.625 8.287 -2.935 1.00 0.00 N ATOM 98 CA VAL A 9 2.165 6.951 -2.932 1.00 0.00 C ATOM 99 C VAL A 9 1.407 6.687 -4.225 1.00 0.00 C ATOM 100 O VAL A 9 0.580 7.503 -4.658 1.00 0.00 O ATOM 101 CB VAL A 9 1.318 6.647 -1.654 1.00 0.00 C ATOM 102 CG1 VAL A 9 0.289 7.718 -1.384 1.00 0.00 C ATOM 103 CG2 VAL A 9 0.642 5.318 -1.752 1.00 0.00 C ATOM 0 H VAL A 9 2.112 8.897 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 9 3.012 6.266 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 9 2.019 6.630 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.275 7.463 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.790 8.675 -1.238 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.392 7.790 -2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.061 5.137 -0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.022 5.310 -2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.392 4.535 -1.864 1.00 0.00 H new ATOM 113 N THR A 10 1.714 5.587 -4.842 1.00 0.00 N ATOM 114 CA THR A 10 1.191 5.263 -6.120 1.00 0.00 C ATOM 115 C THR A 10 -0.274 4.822 -6.022 1.00 0.00 C ATOM 116 O THR A 10 -0.594 3.757 -5.504 1.00 0.00 O ATOM 117 CB THR A 10 2.061 4.168 -6.757 1.00 0.00 C ATOM 118 OG1 THR A 10 3.446 4.574 -6.648 1.00 0.00 O ATOM 119 CG2 THR A 10 1.715 3.991 -8.231 1.00 0.00 C ATOM 0 H THR A 10 2.345 4.883 -4.460 1.00 0.00 H new ATOM 0 HA THR A 10 1.215 6.150 -6.753 1.00 0.00 H new ATOM 0 HB THR A 10 1.885 3.223 -6.243 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.020 3.888 -7.047 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.343 3.211 -8.661 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.667 3.707 -8.327 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.887 4.928 -8.760 1.00 0.00 H new ATOM 127 N VAL A 11 -1.153 5.666 -6.477 1.00 0.00 N ATOM 128 CA VAL A 11 -2.548 5.346 -6.508 1.00 0.00 C ATOM 129 C VAL A 11 -2.782 4.454 -7.700 1.00 0.00 C ATOM 130 O VAL A 11 -2.681 4.873 -8.855 1.00 0.00 O ATOM 131 CB VAL A 11 -3.441 6.603 -6.588 1.00 0.00 C ATOM 132 CG1 VAL A 11 -4.922 6.226 -6.586 1.00 0.00 C ATOM 133 CG2 VAL A 11 -3.132 7.548 -5.441 1.00 0.00 C ATOM 0 H VAL A 11 -0.923 6.593 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.820 4.842 -5.580 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.224 7.112 -7.527 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.528 7.130 -6.643 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.137 5.591 -7.445 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.159 5.688 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.770 8.429 -5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.317 7.042 -4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.087 7.853 -5.492 1.00 0.00 H new ATOM 143 N VAL A 12 -3.038 3.237 -7.418 1.00 0.00 N ATOM 144 CA VAL A 12 -3.210 2.233 -8.398 1.00 0.00 C ATOM 145 C VAL A 12 -4.658 1.865 -8.392 1.00 0.00 C ATOM 146 O VAL A 12 -5.149 1.309 -7.432 1.00 0.00 O ATOM 147 CB VAL A 12 -2.371 0.984 -8.026 1.00 0.00 C ATOM 148 CG1 VAL A 12 -2.525 -0.083 -9.045 1.00 0.00 C ATOM 149 CG2 VAL A 12 -0.908 1.322 -7.881 1.00 0.00 C ATOM 0 H VAL A 12 -3.138 2.896 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.890 2.590 -9.377 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.746 0.626 -7.067 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.926 -0.948 -8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.573 -0.374 -9.112 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.189 0.288 -10.013 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.351 0.422 -7.620 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.532 1.721 -8.823 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.783 2.067 -7.095 1.00 0.00 H new ATOM 159 N VAL A 13 -5.338 2.219 -9.435 1.00 0.00 N ATOM 160 CA VAL A 13 -6.739 1.906 -9.566 1.00 0.00 C ATOM 161 C VAL A 13 -6.920 0.406 -9.773 1.00 0.00 C ATOM 162 O VAL A 13 -5.955 -0.293 -10.090 1.00 0.00 O ATOM 163 CB VAL A 13 -7.387 2.682 -10.736 1.00 0.00 C ATOM 164 CG1 VAL A 13 -7.465 4.152 -10.406 1.00 0.00 C ATOM 165 CG2 VAL A 13 -6.579 2.501 -11.999 1.00 0.00 C ATOM 0 H VAL A 13 -4.945 2.733 -10.224 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.238 2.210 -8.646 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.392 2.289 -10.891 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.923 4.688 -11.237 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.067 4.292 -9.508 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.461 4.540 -10.233 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.048 3.053 -12.813 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.568 2.876 -11.841 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.537 1.442 -12.255 1.00 0.00 H new ATOM 175 N ALA A 14 -8.155 -0.078 -9.645 1.00 0.00 N ATOM 176 CA ALA A 14 -8.468 -1.514 -9.801 1.00 0.00 C ATOM 177 C ALA A 14 -8.082 -1.999 -11.183 1.00 0.00 C ATOM 178 O ALA A 14 -7.819 -3.184 -11.392 1.00 0.00 O ATOM 179 CB ALA A 14 -9.937 -1.773 -9.521 1.00 0.00 C ATOM 0 H ALA A 14 -8.967 0.502 -9.432 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.882 -2.076 -9.074 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -10.148 -2.836 -9.641 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.172 -1.469 -8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.547 -1.201 -10.220 1.00 0.00 H new ATOM 185 N LYS A 15 -8.023 -1.057 -12.101 1.00 0.00 N ATOM 186 CA LYS A 15 -7.550 -1.292 -13.444 1.00 0.00 C ATOM 187 C LYS A 15 -6.089 -1.798 -13.447 1.00 0.00 C ATOM 188 O LYS A 15 -5.760 -2.754 -14.143 1.00 0.00 O ATOM 189 CB LYS A 15 -7.663 0.015 -14.248 1.00 0.00 C ATOM 190 CG LYS A 15 -6.817 0.061 -15.488 1.00 0.00 C ATOM 191 CD LYS A 15 -7.009 1.348 -16.260 1.00 0.00 C ATOM 192 CE LYS A 15 -6.156 1.363 -17.516 1.00 0.00 C ATOM 193 NZ LYS A 15 -6.538 0.291 -18.467 1.00 0.00 N1+ ATOM 0 H LYS A 15 -8.307 -0.093 -11.930 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.165 -2.066 -13.903 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.705 0.164 -14.529 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.385 0.848 -13.603 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.767 -0.044 -15.214 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.066 -0.786 -16.128 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.059 1.462 -16.528 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.748 2.197 -15.629 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.252 2.332 -18.006 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.107 1.246 -17.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.105 0.478 -19.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.205 -0.626 -18.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.573 0.268 -18.567 1.00 0.00 H new ATOM 207 N ASN A 16 -5.252 -1.198 -12.615 1.00 0.00 N ATOM 208 CA ASN A 16 -3.807 -1.463 -12.652 1.00 0.00 C ATOM 209 C ASN A 16 -3.377 -2.315 -11.502 1.00 0.00 C ATOM 210 O ASN A 16 -2.233 -2.714 -11.421 1.00 0.00 O ATOM 211 CB ASN A 16 -3.006 -0.195 -12.509 1.00 0.00 C ATOM 212 CG ASN A 16 -3.424 0.949 -13.356 1.00 0.00 C ATOM 213 OD1 ASN A 16 -3.881 0.807 -14.482 1.00 0.00 O ATOM 214 ND2 ASN A 16 -3.289 2.094 -12.773 1.00 0.00 N ATOM 0 H ASN A 16 -5.539 -0.525 -11.905 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.630 -1.950 -13.611 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -3.047 0.119 -11.466 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.964 -0.422 -12.732 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.571 2.948 -13.254 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -2.900 2.144 -11.831 1.00 0.00 H new ATOM 221 N TYR A 17 -4.252 -2.518 -10.571 1.00 0.00 N ATOM 222 CA TYR A 17 -3.965 -3.262 -9.381 1.00 0.00 C ATOM 223 C TYR A 17 -3.397 -4.671 -9.625 1.00 0.00 C ATOM 224 O TYR A 17 -2.564 -5.136 -8.863 1.00 0.00 O ATOM 225 CB TYR A 17 -5.176 -3.210 -8.446 1.00 0.00 C ATOM 226 CG TYR A 17 -5.479 -4.484 -7.700 1.00 0.00 C ATOM 227 CD1 TYR A 17 -4.837 -4.793 -6.523 1.00 0.00 C ATOM 228 CD2 TYR A 17 -6.412 -5.380 -8.196 1.00 0.00 C ATOM 229 CE1 TYR A 17 -5.106 -5.960 -5.853 1.00 0.00 C ATOM 230 CE2 TYR A 17 -6.698 -6.550 -7.536 1.00 0.00 C ATOM 231 CZ TYR A 17 -6.043 -6.841 -6.366 1.00 0.00 C ATOM 232 OH TYR A 17 -6.335 -8.014 -5.702 1.00 0.00 O ATOM 0 H TYR A 17 -5.208 -2.165 -10.615 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.131 -2.776 -8.874 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.017 -2.414 -7.719 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.053 -2.936 -9.032 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.109 -4.105 -6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.924 -5.154 -9.120 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -4.591 -6.190 -4.932 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -7.432 -7.235 -7.934 1.00 0.00 H new ATOM 0 HH TYR A 17 -6.159 -7.901 -4.745 1.00 0.00 H new ATOM 242 N ASN A 18 -3.726 -5.264 -10.741 1.00 0.00 N ATOM 243 CA ASN A 18 -3.278 -6.611 -11.044 1.00 0.00 C ATOM 244 C ASN A 18 -1.913 -6.540 -11.696 1.00 0.00 C ATOM 245 O ASN A 18 -1.250 -7.539 -11.934 1.00 0.00 O ATOM 246 CB ASN A 18 -4.246 -7.294 -12.003 1.00 0.00 C ATOM 247 CG ASN A 18 -4.355 -6.590 -13.343 1.00 0.00 C ATOM 248 OD1 ASN A 18 -4.288 -5.355 -13.444 1.00 0.00 O ATOM 249 ND2 ASN A 18 -4.464 -7.343 -14.365 1.00 0.00 N ATOM 0 H ASN A 18 -4.306 -4.839 -11.464 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.232 -7.184 -10.118 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.922 -8.322 -12.165 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.233 -7.339 -11.542 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.498 -6.934 -15.299 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.517 -8.355 -14.249 1.00 0.00 H new ATOM 256 N GLU A 19 -1.525 -5.347 -11.990 1.00 0.00 N ATOM 257 CA GLU A 19 -0.343 -5.067 -12.700 1.00 0.00 C ATOM 258 C GLU A 19 0.733 -4.510 -11.762 1.00 0.00 C ATOM 259 O GLU A 19 1.898 -4.890 -11.836 1.00 0.00 O ATOM 260 CB GLU A 19 -0.726 -4.060 -13.755 1.00 0.00 C ATOM 261 CG GLU A 19 -0.261 -4.394 -15.122 1.00 0.00 C ATOM 262 CD GLU A 19 -0.660 -3.355 -16.134 1.00 0.00 C ATOM 263 OE1 GLU A 19 -1.810 -3.401 -16.626 1.00 0.00 O ATOM 264 OE2 GLU A 19 0.149 -2.487 -16.459 1.00 0.00 O1- ATOM 0 H GLU A 19 -2.050 -4.512 -11.728 1.00 0.00 H new ATOM 0 HA GLU A 19 0.080 -5.965 -13.150 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.811 -3.962 -13.768 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.321 -3.088 -13.475 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.824 -4.496 -15.119 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.671 -5.360 -15.416 1.00 0.00 H new ATOM 271 N ILE A 20 0.334 -3.612 -10.884 1.00 0.00 N ATOM 272 CA ILE A 20 1.267 -2.972 -9.966 1.00 0.00 C ATOM 273 C ILE A 20 1.311 -3.714 -8.628 1.00 0.00 C ATOM 274 O ILE A 20 2.360 -4.136 -8.183 1.00 0.00 O ATOM 275 CB ILE A 20 0.864 -1.498 -9.682 1.00 0.00 C ATOM 276 CG1 ILE A 20 0.593 -0.714 -10.985 1.00 0.00 C ATOM 277 CG2 ILE A 20 1.942 -0.796 -8.847 1.00 0.00 C ATOM 278 CD1 ILE A 20 1.782 -0.556 -11.903 1.00 0.00 C ATOM 0 H ILE A 20 -0.633 -3.305 -10.783 1.00 0.00 H new ATOM 0 HA ILE A 20 2.245 -2.999 -10.446 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.065 -1.518 -9.113 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.204 -1.217 -11.533 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.223 0.277 -10.723 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.642 0.235 -8.658 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.064 -1.318 -7.898 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.887 -0.805 -9.391 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.486 0.008 -12.788 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.576 -0.022 -11.381 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.143 -1.540 -12.204 1.00 0.00 H new ATOM 290 N VAL A 21 0.146 -3.885 -8.015 1.00 0.00 N ATOM 291 CA VAL A 21 0.029 -4.469 -6.684 1.00 0.00 C ATOM 292 C VAL A 21 0.283 -5.958 -6.693 1.00 0.00 C ATOM 293 O VAL A 21 0.730 -6.538 -5.725 1.00 0.00 O ATOM 294 CB VAL A 21 -1.378 -4.156 -6.141 1.00 0.00 C ATOM 295 CG1 VAL A 21 -1.663 -4.874 -4.832 1.00 0.00 C ATOM 296 CG2 VAL A 21 -1.541 -2.648 -5.997 1.00 0.00 C ATOM 0 H VAL A 21 -0.748 -3.621 -8.429 1.00 0.00 H new ATOM 0 HA VAL A 21 0.789 -4.032 -6.037 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.112 -4.528 -6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.667 -4.622 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.592 -5.951 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.935 -4.565 -4.082 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.536 -2.425 -5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.791 -2.265 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.413 -2.174 -6.970 1.00 0.00 H new ATOM 306 N LEU A 22 0.054 -6.543 -7.796 1.00 0.00 N ATOM 307 CA LEU A 22 0.146 -7.954 -7.914 1.00 0.00 C ATOM 308 C LEU A 22 1.502 -8.316 -8.546 1.00 0.00 C ATOM 309 O LEU A 22 1.752 -9.441 -8.974 1.00 0.00 O ATOM 310 CB LEU A 22 -1.092 -8.380 -8.708 1.00 0.00 C ATOM 311 CG LEU A 22 -1.557 -9.843 -8.682 1.00 0.00 C ATOM 312 CD1 LEU A 22 -0.880 -10.695 -9.742 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.356 -10.452 -7.302 1.00 0.00 C ATOM 0 H LEU A 22 -0.206 -6.061 -8.657 1.00 0.00 H new ATOM 0 HA LEU A 22 0.137 -8.493 -6.966 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.925 -7.769 -8.361 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.915 -8.115 -9.750 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.622 -9.833 -8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.248 -11.719 -9.676 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.104 -10.292 -10.730 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.198 -10.686 -9.582 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.693 -11.489 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.299 -10.416 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.932 -9.888 -6.568 1.00 0.00 H new ATOM 325 N ASP A 23 2.392 -7.358 -8.530 1.00 0.00 N ATOM 326 CA ASP A 23 3.730 -7.544 -9.070 1.00 0.00 C ATOM 327 C ASP A 23 4.655 -8.116 -7.997 1.00 0.00 C ATOM 328 O ASP A 23 4.453 -7.886 -6.822 1.00 0.00 O ATOM 329 CB ASP A 23 4.296 -6.231 -9.564 1.00 0.00 C ATOM 330 CG ASP A 23 5.604 -6.385 -10.219 1.00 0.00 C ATOM 331 OD1 ASP A 23 5.667 -6.821 -11.366 1.00 0.00 O ATOM 332 OD2 ASP A 23 6.593 -6.015 -9.619 1.00 0.00 O1- ATOM 0 H ASP A 23 2.219 -6.429 -8.146 1.00 0.00 H new ATOM 0 HA ASP A 23 3.663 -8.240 -9.906 1.00 0.00 H new ATOM 0 HB2 ASP A 23 3.595 -5.779 -10.265 1.00 0.00 H new ATOM 0 HB3 ASP A 23 4.394 -5.544 -8.724 1.00 0.00 H new ATOM 337 N ASP A 24 5.652 -8.871 -8.409 1.00 0.00 N ATOM 338 CA ASP A 24 6.579 -9.499 -7.478 1.00 0.00 C ATOM 339 C ASP A 24 7.995 -8.976 -7.620 1.00 0.00 C ATOM 340 O ASP A 24 8.934 -9.605 -7.126 1.00 0.00 O ATOM 341 CB ASP A 24 6.587 -11.006 -7.678 1.00 0.00 C ATOM 342 CG ASP A 24 6.973 -11.419 -9.080 1.00 0.00 C ATOM 343 OD1 ASP A 24 6.090 -11.395 -9.965 1.00 0.00 O1- ATOM 344 OD2 ASP A 24 8.151 -11.771 -9.319 1.00 0.00 O ATOM 0 H ASP A 24 5.846 -9.069 -9.391 1.00 0.00 H new ATOM 0 HA ASP A 24 6.228 -9.250 -6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.282 -11.456 -6.969 1.00 0.00 H new ATOM 0 HB3 ASP A 24 5.597 -11.402 -7.449 1.00 0.00 H new ATOM 349 N THR A 25 8.178 -7.844 -8.258 1.00 0.00 N ATOM 350 CA THR A 25 9.524 -7.325 -8.383 1.00 0.00 C ATOM 351 C THR A 25 9.833 -6.396 -7.197 1.00 0.00 C ATOM 352 O THR A 25 10.994 -6.056 -6.923 1.00 0.00 O ATOM 353 CB THR A 25 9.781 -6.624 -9.757 1.00 0.00 C ATOM 354 OG1 THR A 25 9.031 -5.423 -9.851 1.00 0.00 O ATOM 355 CG2 THR A 25 9.334 -7.530 -10.894 1.00 0.00 C ATOM 0 H THR A 25 7.443 -7.280 -8.685 1.00 0.00 H new ATOM 0 HA THR A 25 10.211 -8.170 -8.357 1.00 0.00 H new ATOM 0 HB THR A 25 10.848 -6.410 -9.827 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.090 -5.637 -10.021 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.516 -7.034 -11.847 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.895 -8.464 -10.857 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.270 -7.742 -10.793 1.00 0.00 H new ATOM 363 N LYS A 26 8.775 -6.010 -6.478 1.00 0.00 N ATOM 364 CA LYS A 26 8.889 -5.185 -5.286 1.00 0.00 C ATOM 365 C LYS A 26 7.758 -5.518 -4.343 1.00 0.00 C ATOM 366 O LYS A 26 6.764 -6.099 -4.780 1.00 0.00 O ATOM 367 CB LYS A 26 8.878 -3.664 -5.596 1.00 0.00 C ATOM 368 CG LYS A 26 7.663 -3.110 -6.345 1.00 0.00 C ATOM 369 CD LYS A 26 7.679 -3.469 -7.813 1.00 0.00 C ATOM 370 CE LYS A 26 6.506 -2.882 -8.561 1.00 0.00 C ATOM 371 NZ LYS A 26 6.523 -3.299 -9.971 1.00 0.00 N1+ ATOM 0 H LYS A 26 7.816 -6.265 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 26 9.854 -5.407 -4.830 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.966 -3.126 -4.652 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.769 -3.432 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.751 -3.496 -5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.638 -2.025 -6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.607 -3.114 -8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.668 -4.554 -7.919 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.574 -3.202 -8.094 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.537 -1.794 -8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.566 -3.216 -10.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.174 -2.689 -10.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.841 -4.287 -10.037 1.00 0.00 H new ATOM 385 N ASP A 27 7.901 -5.163 -3.068 1.00 0.00 N ATOM 386 CA ASP A 27 6.837 -5.395 -2.105 1.00 0.00 C ATOM 387 C ASP A 27 5.811 -4.320 -2.307 1.00 0.00 C ATOM 388 O ASP A 27 6.154 -3.142 -2.340 1.00 0.00 O ATOM 389 CB ASP A 27 7.330 -5.332 -0.636 1.00 0.00 C ATOM 390 CG ASP A 27 8.234 -6.489 -0.186 1.00 0.00 C ATOM 391 OD1 ASP A 27 7.929 -7.676 -0.459 1.00 0.00 O1- ATOM 392 OD2 ASP A 27 9.247 -6.240 0.482 1.00 0.00 O ATOM 0 H ASP A 27 8.735 -4.719 -2.685 1.00 0.00 H new ATOM 0 HA ASP A 27 6.438 -6.396 -2.269 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.871 -4.396 -0.494 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.459 -5.300 0.019 1.00 0.00 H new ATOM 397 N VAL A 28 4.592 -4.679 -2.503 1.00 0.00 N ATOM 398 CA VAL A 28 3.578 -3.682 -2.703 1.00 0.00 C ATOM 399 C VAL A 28 2.553 -3.680 -1.597 1.00 0.00 C ATOM 400 O VAL A 28 1.832 -4.657 -1.380 1.00 0.00 O ATOM 401 CB VAL A 28 2.887 -3.791 -4.090 1.00 0.00 C ATOM 402 CG1 VAL A 28 1.930 -2.629 -4.304 1.00 0.00 C ATOM 403 CG2 VAL A 28 3.909 -3.832 -5.204 1.00 0.00 C ATOM 0 H VAL A 28 4.265 -5.645 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 28 4.102 -2.727 -2.678 1.00 0.00 H new ATOM 0 HB VAL A 28 2.320 -4.722 -4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.456 -2.723 -5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.165 -2.639 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.482 -1.690 -4.258 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.398 -3.908 -6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 28 4.507 -2.921 -5.183 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.559 -4.696 -5.069 1.00 0.00 H new ATOM 413 N LEU A 29 2.520 -2.591 -0.873 1.00 0.00 N ATOM 414 CA LEU A 29 1.502 -2.367 0.103 1.00 0.00 C ATOM 415 C LEU A 29 0.358 -1.771 -0.595 1.00 0.00 C ATOM 416 O LEU A 29 0.544 -0.840 -1.350 1.00 0.00 O ATOM 417 CB LEU A 29 1.922 -1.362 1.167 1.00 0.00 C ATOM 418 CG LEU A 29 2.518 -1.871 2.462 1.00 0.00 C ATOM 419 CD1 LEU A 29 2.747 -0.700 3.379 1.00 0.00 C ATOM 420 CD2 LEU A 29 1.593 -2.869 3.135 1.00 0.00 C ATOM 0 H LEU A 29 3.203 -1.837 -0.949 1.00 0.00 H new ATOM 0 HA LEU A 29 1.283 -3.320 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.648 -0.687 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.046 -0.765 1.420 1.00 0.00 H new ATOM 0 HG LEU A 29 3.459 -2.376 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.177 -1.051 4.317 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.433 0.003 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.798 -0.203 3.578 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.047 -3.218 4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.639 -2.390 3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.428 -3.717 2.471 1.00 0.00 H new ATOM 432 N ILE A 30 -0.781 -2.308 -0.426 1.00 0.00 N ATOM 433 CA ILE A 30 -1.925 -1.635 -0.953 1.00 0.00 C ATOM 434 C ILE A 30 -2.858 -1.201 0.174 1.00 0.00 C ATOM 435 O ILE A 30 -2.963 -1.878 1.188 1.00 0.00 O ATOM 436 CB ILE A 30 -2.694 -2.467 -1.989 1.00 0.00 C ATOM 437 CG1 ILE A 30 -3.638 -1.539 -2.742 1.00 0.00 C ATOM 438 CG2 ILE A 30 -3.462 -3.602 -1.302 1.00 0.00 C ATOM 439 CD1 ILE A 30 -4.412 -2.193 -3.820 1.00 0.00 C ATOM 0 H ILE A 30 -0.960 -3.188 0.058 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.549 -0.755 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.000 -2.927 -2.693 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.334 -1.095 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.058 -0.723 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.001 -4.182 -2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.760 -4.251 -0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.171 -3.182 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.057 -1.458 -4.302 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.727 -2.613 -4.557 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.023 -2.990 -3.397 1.00 0.00 H new ATOM 451 N GLU A 31 -3.485 -0.070 0.008 1.00 0.00 N ATOM 452 CA GLU A 31 -4.460 0.416 0.943 1.00 0.00 C ATOM 453 C GLU A 31 -5.762 0.705 0.187 1.00 0.00 C ATOM 454 O GLU A 31 -5.809 1.545 -0.706 1.00 0.00 O ATOM 455 CB GLU A 31 -3.918 1.666 1.664 1.00 0.00 C ATOM 456 CG GLU A 31 -4.771 2.219 2.805 1.00 0.00 C ATOM 457 CD GLU A 31 -4.052 3.335 3.569 1.00 0.00 C ATOM 458 OE1 GLU A 31 -4.105 4.500 3.128 1.00 0.00 O1- ATOM 459 OE2 GLU A 31 -3.398 3.039 4.631 1.00 0.00 O ATOM 0 H GLU A 31 -3.331 0.547 -0.790 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.665 -0.332 1.709 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.930 1.430 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -3.785 2.455 0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.710 2.601 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.023 1.412 3.493 1.00 0.00 H new ATOM 466 N PHE A 32 -6.762 -0.074 0.470 1.00 0.00 N ATOM 467 CA PHE A 32 -8.086 0.117 -0.082 1.00 0.00 C ATOM 468 C PHE A 32 -8.700 1.211 0.679 1.00 0.00 C ATOM 469 O PHE A 32 -8.716 1.129 1.909 1.00 0.00 O ATOM 470 CB PHE A 32 -8.944 -1.114 0.148 1.00 0.00 C ATOM 471 CG PHE A 32 -8.412 -2.362 -0.511 1.00 0.00 C ATOM 472 CD1 PHE A 32 -8.689 -2.618 -1.833 1.00 0.00 C ATOM 473 CD2 PHE A 32 -7.633 -3.267 0.188 1.00 0.00 C ATOM 474 CE1 PHE A 32 -8.197 -3.755 -2.448 1.00 0.00 C ATOM 475 CE2 PHE A 32 -7.144 -4.401 -0.419 1.00 0.00 C ATOM 476 CZ PHE A 32 -7.426 -4.644 -1.739 1.00 0.00 C ATOM 0 H PHE A 32 -6.689 -0.874 1.099 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.016 0.318 -1.151 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.030 -1.290 1.220 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -9.950 -0.919 -0.225 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.296 -1.925 -2.396 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.405 -3.080 1.227 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.419 -3.944 -3.488 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.540 -5.098 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.043 -5.532 -2.220 1.00 0.00 H new ATOM 486 N TYR A 33 -9.191 2.218 0.012 1.00 0.00 N ATOM 487 CA TYR A 33 -9.762 3.326 0.722 1.00 0.00 C ATOM 488 C TYR A 33 -10.949 3.902 0.009 1.00 0.00 C ATOM 489 O TYR A 33 -11.387 3.406 -1.030 1.00 0.00 O ATOM 490 CB TYR A 33 -8.715 4.438 0.919 1.00 0.00 C ATOM 491 CG TYR A 33 -8.312 5.205 -0.360 1.00 0.00 C ATOM 492 CD1 TYR A 33 -7.423 4.679 -1.280 1.00 0.00 C ATOM 493 CD2 TYR A 33 -8.854 6.465 -0.631 1.00 0.00 C ATOM 494 CE1 TYR A 33 -7.085 5.382 -2.430 1.00 0.00 C ATOM 495 CE2 TYR A 33 -8.523 7.165 -1.769 1.00 0.00 C ATOM 496 CZ TYR A 33 -7.641 6.624 -2.663 1.00 0.00 C ATOM 497 OH TYR A 33 -7.311 7.328 -3.805 1.00 0.00 O ATOM 0 H TYR A 33 -9.208 2.294 -1.005 1.00 0.00 H new ATOM 0 HA TYR A 33 -10.091 2.943 1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -9.102 5.154 1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.819 3.996 1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.985 3.708 -1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.550 6.900 0.071 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.390 4.958 -3.139 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.957 8.136 -1.955 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.792 8.182 -3.813 1.00 0.00 H new ATOM 507 N ALA A 34 -11.422 4.960 0.597 1.00 0.00 N ATOM 508 CA ALA A 34 -12.466 5.793 0.115 1.00 0.00 C ATOM 509 C ALA A 34 -12.073 7.185 0.591 1.00 0.00 C ATOM 510 O ALA A 34 -11.555 7.301 1.694 1.00 0.00 O ATOM 511 CB ALA A 34 -13.790 5.380 0.732 1.00 0.00 C ATOM 0 H ALA A 34 -11.056 5.281 1.493 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.590 5.736 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.584 6.025 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -14.008 4.345 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.731 5.473 1.816 1.00 0.00 H new ATOM 517 N PRO A 35 -12.322 8.252 -0.164 1.00 0.00 N ATOM 518 CA PRO A 35 -11.845 9.582 0.208 1.00 0.00 C ATOM 519 C PRO A 35 -12.748 10.187 1.244 1.00 0.00 C ATOM 520 O PRO A 35 -12.395 11.111 1.971 1.00 0.00 O ATOM 521 CB PRO A 35 -11.906 10.367 -1.094 1.00 0.00 C ATOM 522 CG PRO A 35 -12.760 9.571 -2.040 1.00 0.00 C ATOM 523 CD PRO A 35 -13.132 8.280 -1.372 1.00 0.00 C ATOM 0 HA PRO A 35 -10.845 9.573 0.642 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.331 11.357 -0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.907 10.513 -1.505 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -13.656 10.132 -2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.219 9.376 -2.966 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -14.196 8.246 -1.138 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -12.919 7.425 -2.013 1.00 0.00 H new ATOM 531 N TRP A 36 -13.906 9.607 1.313 1.00 0.00 N ATOM 532 CA TRP A 36 -14.921 9.997 2.269 1.00 0.00 C ATOM 533 C TRP A 36 -14.790 9.234 3.560 1.00 0.00 C ATOM 534 O TRP A 36 -15.563 9.417 4.501 1.00 0.00 O ATOM 535 CB TRP A 36 -16.322 9.868 1.680 1.00 0.00 C ATOM 536 CG TRP A 36 -16.644 8.558 1.011 1.00 0.00 C ATOM 537 CD1 TRP A 36 -16.634 8.325 -0.326 1.00 0.00 C ATOM 538 CD2 TRP A 36 -17.042 7.316 1.629 1.00 0.00 C ATOM 539 NE1 TRP A 36 -16.987 7.033 -0.586 1.00 0.00 N ATOM 540 CE2 TRP A 36 -17.246 6.389 0.590 1.00 0.00 C ATOM 541 CE3 TRP A 36 -17.243 6.899 2.949 1.00 0.00 C ATOM 542 CZ2 TRP A 36 -17.638 5.073 0.825 1.00 0.00 C ATOM 543 CZ3 TRP A 36 -17.632 5.593 3.181 1.00 0.00 C ATOM 544 CH2 TRP A 36 -17.825 4.694 2.125 1.00 0.00 C ATOM 0 H TRP A 36 -14.186 8.839 0.704 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.761 11.050 2.500 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -17.046 10.032 2.478 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -16.463 10.668 0.953 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -16.382 9.058 -1.078 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -17.048 6.614 -1.514 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -17.097 7.584 3.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -17.788 4.379 0.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -17.790 5.260 4.196 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -18.128 3.680 2.342 1.00 0.00 H new ATOM 555 N CYS A 37 -13.806 8.397 3.610 1.00 0.00 N ATOM 556 CA CYS A 37 -13.575 7.595 4.766 1.00 0.00 C ATOM 557 C CYS A 37 -12.780 8.375 5.800 1.00 0.00 C ATOM 558 O CYS A 37 -11.649 8.797 5.534 1.00 0.00 O ATOM 559 CB CYS A 37 -12.860 6.302 4.399 1.00 0.00 C ATOM 560 SG CYS A 37 -12.465 5.231 5.793 1.00 0.00 S ATOM 0 H CYS A 37 -13.140 8.250 2.851 1.00 0.00 H new ATOM 0 HA CYS A 37 -14.541 7.332 5.198 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -13.482 5.746 3.698 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -11.936 6.551 3.877 1.00 0.00 H new ATOM 0 HG CYS A 37 -11.682 4.273 5.396 1.00 0.00 H new ATOM 566 N GLY A 38 -13.375 8.569 6.969 1.00 0.00 N ATOM 567 CA GLY A 38 -12.717 9.270 8.058 1.00 0.00 C ATOM 568 C GLY A 38 -11.446 8.571 8.478 1.00 0.00 C ATOM 569 O GLY A 38 -10.434 9.210 8.750 1.00 0.00 O ATOM 0 H GLY A 38 -14.318 8.248 7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.488 10.290 7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.394 9.339 8.909 1.00 0.00 H new ATOM 573 N HIS A 39 -11.488 7.249 8.476 1.00 0.00 N ATOM 574 CA HIS A 39 -10.319 6.462 8.817 1.00 0.00 C ATOM 575 C HIS A 39 -9.245 6.603 7.756 1.00 0.00 C ATOM 576 O HIS A 39 -8.079 6.688 8.081 1.00 0.00 O ATOM 577 CB HIS A 39 -10.656 4.985 9.075 1.00 0.00 C ATOM 578 CG HIS A 39 -11.436 4.752 10.335 1.00 0.00 C ATOM 579 ND1 HIS A 39 -12.680 4.177 10.360 1.00 0.00 N ATOM 580 CD2 HIS A 39 -11.117 4.991 11.625 1.00 0.00 C ATOM 581 CE1 HIS A 39 -13.091 4.075 11.605 1.00 0.00 C ATOM 582 NE2 HIS A 39 -12.165 4.559 12.392 1.00 0.00 N ATOM 0 H HIS A 39 -12.316 6.702 8.243 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.931 6.860 9.755 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.226 4.599 8.230 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -9.729 4.414 9.122 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.203 5.440 11.985 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.036 3.661 11.925 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.216 4.607 13.410 1.00 0.00 H new ATOM 591 N CYS A 40 -9.651 6.685 6.491 1.00 0.00 N ATOM 592 CA CYS A 40 -8.706 6.877 5.386 1.00 0.00 C ATOM 593 C CYS A 40 -8.026 8.215 5.491 1.00 0.00 C ATOM 594 O CYS A 40 -6.850 8.358 5.176 1.00 0.00 O ATOM 595 CB CYS A 40 -9.389 6.768 4.036 1.00 0.00 C ATOM 596 SG CYS A 40 -8.319 7.174 2.644 1.00 0.00 S ATOM 0 H CYS A 40 -10.627 6.622 6.202 1.00 0.00 H new ATOM 0 HA CYS A 40 -7.963 6.083 5.463 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -9.764 5.752 3.910 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -10.254 7.431 4.023 1.00 0.00 H new ATOM 0 HG CYS A 40 -8.912 6.853 1.533 1.00 0.00 H new ATOM 602 N LYS A 41 -8.749 9.186 5.962 1.00 0.00 N ATOM 603 CA LYS A 41 -8.189 10.511 6.125 1.00 0.00 C ATOM 604 C LYS A 41 -7.132 10.546 7.254 1.00 0.00 C ATOM 605 O LYS A 41 -6.329 11.463 7.338 1.00 0.00 O ATOM 606 CB LYS A 41 -9.295 11.562 6.278 1.00 0.00 C ATOM 607 CG LYS A 41 -10.205 11.620 5.043 1.00 0.00 C ATOM 608 CD LYS A 41 -11.259 12.716 5.123 1.00 0.00 C ATOM 609 CE LYS A 41 -12.302 12.432 6.185 1.00 0.00 C ATOM 610 NZ LYS A 41 -13.351 13.466 6.209 1.00 0.00 N1+ ATOM 0 H LYS A 41 -9.726 9.095 6.242 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.650 10.774 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.894 11.333 7.160 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.845 12.541 6.444 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.592 11.779 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.701 10.657 4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -10.774 13.668 5.338 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.748 12.819 4.154 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.755 11.458 5.999 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.821 12.378 7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.046 13.238 6.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.922 14.391 6.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.826 13.500 5.285 1.00 0.00 H new ATOM 624 N ALA A 42 -7.125 9.506 8.082 1.00 0.00 N ATOM 625 CA ALA A 42 -6.118 9.309 9.133 1.00 0.00 C ATOM 626 C ALA A 42 -5.002 8.416 8.605 1.00 0.00 C ATOM 627 O ALA A 42 -3.955 8.236 9.232 1.00 0.00 O ATOM 628 CB ALA A 42 -6.753 8.612 10.301 1.00 0.00 C ATOM 0 H ALA A 42 -7.824 8.764 8.046 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.720 10.278 9.433 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.010 8.463 11.084 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.570 9.221 10.688 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.141 7.645 9.981 1.00 0.00 H new ATOM 634 N LEU A 43 -5.257 7.854 7.461 1.00 0.00 N ATOM 635 CA LEU A 43 -4.351 6.924 6.796 1.00 0.00 C ATOM 636 C LEU A 43 -3.525 7.636 5.740 1.00 0.00 C ATOM 637 O LEU A 43 -2.558 7.133 5.226 1.00 0.00 O ATOM 638 CB LEU A 43 -5.122 5.795 6.139 1.00 0.00 C ATOM 639 CG LEU A 43 -5.886 4.811 7.049 1.00 0.00 C ATOM 640 CD1 LEU A 43 -6.581 3.739 6.227 1.00 0.00 C ATOM 641 CD2 LEU A 43 -4.969 4.170 8.080 1.00 0.00 C ATOM 0 H LEU A 43 -6.117 8.024 6.940 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.688 6.514 7.558 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.841 6.239 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.420 5.217 5.538 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.641 5.388 7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.112 3.058 6.892 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.290 4.207 5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.840 3.182 5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.544 3.484 8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.177 3.621 7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.529 4.945 8.707 1.00 0.00 H new ATOM 653 N ALA A 44 -3.938 8.783 5.444 1.00 0.00 N ATOM 654 CA ALA A 44 -3.298 9.658 4.482 1.00 0.00 C ATOM 655 C ALA A 44 -1.848 10.056 4.874 1.00 0.00 C ATOM 656 O ALA A 44 -0.934 9.899 4.059 1.00 0.00 O ATOM 657 CB ALA A 44 -4.143 10.889 4.266 1.00 0.00 C ATOM 0 H ALA A 44 -4.771 9.193 5.867 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.216 9.095 3.553 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.656 11.542 3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.123 10.596 3.889 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.261 11.419 5.211 1.00 0.00 H new ATOM 663 N PRO A 45 -1.569 10.499 6.149 1.00 0.00 N ATOM 664 CA PRO A 45 -0.242 11.020 6.504 1.00 0.00 C ATOM 665 C PRO A 45 0.796 9.935 6.664 1.00 0.00 C ATOM 666 O PRO A 45 2.002 10.191 6.722 1.00 0.00 O ATOM 667 CB PRO A 45 -0.485 11.735 7.807 1.00 0.00 C ATOM 668 CG PRO A 45 -1.619 11.024 8.451 1.00 0.00 C ATOM 669 CD PRO A 45 -2.479 10.502 7.337 1.00 0.00 C ATOM 0 HA PRO A 45 0.163 11.662 5.721 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.403 11.709 8.439 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.726 12.785 7.639 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.260 10.209 9.079 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.184 11.698 9.095 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.853 9.502 7.556 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.349 11.138 7.172 1.00 0.00 H new ATOM 677 N LYS A 46 0.332 8.736 6.721 1.00 0.00 N ATOM 678 CA LYS A 46 1.237 7.586 6.797 1.00 0.00 C ATOM 679 C LYS A 46 1.496 7.121 5.431 1.00 0.00 C ATOM 680 O LYS A 46 2.573 6.692 5.111 1.00 0.00 O ATOM 681 CB LYS A 46 0.634 6.438 7.625 1.00 0.00 C ATOM 682 CG LYS A 46 -0.691 5.950 7.055 1.00 0.00 C ATOM 683 CD LYS A 46 -1.488 4.985 7.905 1.00 0.00 C ATOM 684 CE LYS A 46 -1.106 3.529 7.706 1.00 0.00 C ATOM 685 NZ LYS A 46 -1.422 3.058 6.314 1.00 0.00 N1+ ATOM 0 H LYS A 46 -0.661 8.501 6.718 1.00 0.00 H new ATOM 0 HA LYS A 46 2.159 7.894 7.290 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.340 5.608 7.660 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.484 6.773 8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.315 6.821 6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.492 5.473 6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.354 5.245 8.955 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.547 5.107 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.041 3.402 7.900 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.638 2.911 8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.292 2.028 6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.408 3.296 6.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.785 3.524 5.637 1.00 0.00 H new ATOM 699 N TYR A 47 0.526 7.275 4.607 1.00 0.00 N ATOM 700 CA TYR A 47 0.596 6.725 3.346 1.00 0.00 C ATOM 701 C TYR A 47 1.358 7.587 2.401 1.00 0.00 C ATOM 702 O TYR A 47 2.189 7.099 1.647 1.00 0.00 O ATOM 703 CB TYR A 47 -0.769 6.349 2.869 1.00 0.00 C ATOM 704 CG TYR A 47 -0.766 4.961 2.426 1.00 0.00 C ATOM 705 CD1 TYR A 47 -0.416 3.986 3.315 1.00 0.00 C ATOM 706 CD2 TYR A 47 -1.040 4.615 1.144 1.00 0.00 C ATOM 707 CE1 TYR A 47 -0.347 2.686 2.957 1.00 0.00 C ATOM 708 CE2 TYR A 47 -0.973 3.313 0.743 1.00 0.00 C ATOM 709 CZ TYR A 47 -0.623 2.333 1.665 1.00 0.00 C ATOM 710 OH TYR A 47 -0.548 1.015 1.292 1.00 0.00 O ATOM 0 H TYR A 47 -0.331 7.790 4.808 1.00 0.00 H new ATOM 0 HA TYR A 47 1.172 5.801 3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -1.495 6.484 3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.072 7.002 2.051 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.188 4.262 4.334 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.315 5.379 0.432 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.077 1.933 3.683 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.190 3.046 -0.281 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.790 0.928 0.346 1.00 0.00 H new ATOM 720 N GLU A 48 1.137 8.870 2.474 1.00 0.00 N ATOM 721 CA GLU A 48 1.884 9.763 1.652 1.00 0.00 C ATOM 722 C GLU A 48 3.304 9.913 2.139 1.00 0.00 C ATOM 723 O GLU A 48 4.209 9.837 1.372 1.00 0.00 O ATOM 724 CB GLU A 48 1.236 11.121 1.515 1.00 0.00 C ATOM 725 CG GLU A 48 -0.078 11.116 0.747 1.00 0.00 C ATOM 726 CD GLU A 48 -0.633 12.504 0.568 1.00 0.00 C ATOM 727 OE1 GLU A 48 0.110 13.390 0.080 1.00 0.00 O1- ATOM 728 OE2 GLU A 48 -1.805 12.753 0.940 1.00 0.00 O ATOM 0 H GLU A 48 0.453 9.311 3.088 1.00 0.00 H new ATOM 0 HA GLU A 48 1.898 9.308 0.662 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.059 11.528 2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.933 11.794 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.075 10.658 -0.230 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.805 10.501 1.277 1.00 0.00 H new ATOM 735 N GLU A 49 3.497 10.028 3.415 1.00 0.00 N ATOM 736 CA GLU A 49 4.804 10.311 3.913 1.00 0.00 C ATOM 737 C GLU A 49 5.683 9.088 3.835 1.00 0.00 C ATOM 738 O GLU A 49 6.822 9.198 3.437 1.00 0.00 O ATOM 739 CB GLU A 49 4.775 10.950 5.299 1.00 0.00 C ATOM 740 CG GLU A 49 6.142 11.423 5.785 1.00 0.00 C ATOM 741 CD GLU A 49 6.045 12.356 6.959 1.00 0.00 C ATOM 742 OE1 GLU A 49 5.929 11.887 8.098 1.00 0.00 O1- ATOM 743 OE2 GLU A 49 6.070 13.600 6.749 1.00 0.00 O ATOM 0 H GLU A 49 2.772 9.931 4.126 1.00 0.00 H new ATOM 0 HA GLU A 49 5.253 11.064 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.091 11.799 5.284 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.374 10.230 6.013 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.745 10.558 6.062 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.661 11.925 4.968 1.00 0.00 H new ATOM 750 N LEU A 50 5.130 7.902 4.113 1.00 0.00 N ATOM 751 CA LEU A 50 5.926 6.695 3.992 1.00 0.00 C ATOM 752 C LEU A 50 6.127 6.413 2.561 1.00 0.00 C ATOM 753 O LEU A 50 7.183 5.993 2.135 1.00 0.00 O ATOM 754 CB LEU A 50 5.214 5.518 4.546 1.00 0.00 C ATOM 755 CG LEU A 50 6.002 4.202 4.458 1.00 0.00 C ATOM 756 CD1 LEU A 50 7.122 4.136 5.478 1.00 0.00 C ATOM 757 CD2 LEU A 50 5.101 3.019 4.546 1.00 0.00 C ATOM 0 H LEU A 50 4.165 7.762 4.413 1.00 0.00 H new ATOM 0 HA LEU A 50 6.860 6.855 4.531 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.972 5.713 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.269 5.398 4.017 1.00 0.00 H new ATOM 0 HG LEU A 50 6.474 4.179 3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.650 3.188 5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.817 4.958 5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.705 4.214 6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.692 2.106 4.480 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.567 3.038 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.383 3.046 3.726 1.00 0.00 H new ATOM 769 N GLY A 51 5.075 6.630 1.838 1.00 0.00 N ATOM 770 CA GLY A 51 5.086 6.407 0.417 1.00 0.00 C ATOM 771 C GLY A 51 6.097 7.232 -0.266 1.00 0.00 C ATOM 772 O GLY A 51 6.784 6.761 -1.169 1.00 0.00 O ATOM 0 H GLY A 51 4.185 6.965 2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.283 5.354 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.101 6.630 0.008 1.00 0.00 H new ATOM 776 N ALA A 52 6.199 8.456 0.173 1.00 0.00 N ATOM 777 CA ALA A 52 7.205 9.349 -0.283 1.00 0.00 C ATOM 778 C ALA A 52 8.529 8.804 0.114 1.00 0.00 C ATOM 779 O ALA A 52 9.369 8.556 -0.733 1.00 0.00 O ATOM 780 CB ALA A 52 7.013 10.701 0.340 1.00 0.00 C ATOM 0 H ALA A 52 5.571 8.859 0.869 1.00 0.00 H new ATOM 0 HA ALA A 52 7.146 9.451 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.789 11.379 -0.016 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.034 11.093 0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 52 7.076 10.614 1.425 1.00 0.00 H new ATOM 786 N LEU A 53 8.664 8.519 1.405 1.00 0.00 N ATOM 787 CA LEU A 53 9.923 8.008 1.962 1.00 0.00 C ATOM 788 C LEU A 53 10.403 6.814 1.195 1.00 0.00 C ATOM 789 O LEU A 53 11.583 6.692 0.913 1.00 0.00 O ATOM 790 CB LEU A 53 9.813 7.653 3.449 1.00 0.00 C ATOM 791 CG LEU A 53 9.550 8.807 4.409 1.00 0.00 C ATOM 792 CD1 LEU A 53 9.411 8.291 5.830 1.00 0.00 C ATOM 793 CD2 LEU A 53 10.657 9.844 4.322 1.00 0.00 C ATOM 0 H LEU A 53 7.918 8.632 2.091 1.00 0.00 H new ATOM 0 HA LEU A 53 10.647 8.817 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.012 6.923 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.738 7.163 3.751 1.00 0.00 H new ATOM 0 HG LEU A 53 8.614 9.286 4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.223 9.127 6.504 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.579 7.589 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.331 7.786 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 53 10.448 10.658 5.016 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.610 9.382 4.581 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.709 10.237 3.307 1.00 0.00 H new ATOM 805 N TYR A 54 9.494 5.963 0.798 1.00 0.00 N ATOM 806 CA TYR A 54 9.895 4.831 0.049 1.00 0.00 C ATOM 807 C TYR A 54 10.179 5.177 -1.396 1.00 0.00 C ATOM 808 O TYR A 54 11.259 4.954 -1.835 1.00 0.00 O ATOM 809 CB TYR A 54 9.004 3.587 0.272 1.00 0.00 C ATOM 810 CG TYR A 54 9.248 2.905 1.636 1.00 0.00 C ATOM 811 CD1 TYR A 54 9.777 3.608 2.714 1.00 0.00 C ATOM 812 CD2 TYR A 54 8.963 1.562 1.830 1.00 0.00 C ATOM 813 CE1 TYR A 54 10.014 3.001 3.927 1.00 0.00 C ATOM 814 CE2 TYR A 54 9.198 0.944 3.054 1.00 0.00 C ATOM 815 CZ TYR A 54 9.727 1.671 4.094 1.00 0.00 C ATOM 816 OH TYR A 54 9.957 1.075 5.322 1.00 0.00 O ATOM 0 H TYR A 54 8.494 6.040 0.982 1.00 0.00 H new ATOM 0 HA TYR A 54 10.856 4.511 0.452 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.957 3.880 0.201 1.00 0.00 H new ATOM 0 HB3 TYR A 54 9.188 2.867 -0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 54 10.008 4.657 2.596 1.00 0.00 H new ATOM 0 HD2 TYR A 54 8.551 0.985 1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 54 10.426 3.572 4.746 1.00 0.00 H new ATOM 0 HE2 TYR A 54 8.966 -0.102 3.187 1.00 0.00 H new ATOM 0 HH TYR A 54 10.331 0.180 5.186 1.00 0.00 H new ATOM 826 N ALA A 55 9.265 5.878 -2.063 1.00 0.00 N ATOM 827 CA ALA A 55 9.407 6.232 -3.511 1.00 0.00 C ATOM 828 C ALA A 55 10.409 7.386 -3.766 1.00 0.00 C ATOM 829 O ALA A 55 10.561 7.855 -4.897 1.00 0.00 O ATOM 830 CB ALA A 55 8.054 6.596 -4.114 1.00 0.00 C ATOM 0 H ALA A 55 8.405 6.224 -1.638 1.00 0.00 H new ATOM 0 HA ALA A 55 9.807 5.342 -3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 55 8.181 6.850 -5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.376 5.747 -4.025 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.637 7.451 -3.582 1.00 0.00 H new ATOM 836 N LYS A 56 11.086 7.795 -2.744 1.00 0.00 N ATOM 837 CA LYS A 56 12.038 8.896 -2.776 1.00 0.00 C ATOM 838 C LYS A 56 13.408 8.387 -2.365 1.00 0.00 C ATOM 839 O LYS A 56 14.417 8.688 -3.010 1.00 0.00 O ATOM 840 CB LYS A 56 11.621 10.039 -1.799 1.00 0.00 C ATOM 841 CG LYS A 56 10.925 11.307 -2.361 1.00 0.00 C ATOM 842 CD LYS A 56 9.430 11.140 -2.661 1.00 0.00 C ATOM 843 CE LYS A 56 9.139 10.457 -3.978 1.00 0.00 C ATOM 844 NZ LYS A 56 9.619 11.245 -5.148 1.00 0.00 N1+ ATOM 0 H LYS A 56 11.000 7.367 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 56 12.059 9.293 -3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.956 9.605 -1.053 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.519 10.365 -1.274 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.049 12.120 -1.646 1.00 0.00 H new ATOM 0 HG3 LYS A 56 11.434 11.608 -3.277 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.971 10.566 -1.856 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.958 12.123 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 56 9.612 9.475 -3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.065 10.294 -4.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.144 10.910 -6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.401 12.251 -5.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.647 11.125 -5.249 1.00 0.00 H new ATOM 858 N SER A 57 13.430 7.580 -1.319 1.00 0.00 N ATOM 859 CA SER A 57 14.665 7.070 -0.772 1.00 0.00 C ATOM 860 C SER A 57 14.976 5.737 -1.437 1.00 0.00 C ATOM 861 O SER A 57 14.295 5.339 -2.345 1.00 0.00 O ATOM 862 CB SER A 57 14.560 6.935 0.767 1.00 0.00 C ATOM 863 OG SER A 57 15.785 6.513 1.357 1.00 0.00 O ATOM 0 H SER A 57 12.593 7.263 -0.830 1.00 0.00 H new ATOM 0 HA SER A 57 15.482 7.763 -0.974 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.265 7.893 1.194 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.775 6.220 1.014 1.00 0.00 H new ATOM 0 HG SER A 57 15.631 5.702 1.885 1.00 0.00 H new ATOM 869 N GLU A 58 15.931 5.028 -0.934 1.00 0.00 N ATOM 870 CA GLU A 58 16.460 3.819 -1.567 1.00 0.00 C ATOM 871 C GLU A 58 15.585 2.574 -1.417 1.00 0.00 C ATOM 872 O GLU A 58 16.069 1.440 -1.429 1.00 0.00 O ATOM 873 CB GLU A 58 17.870 3.596 -1.118 1.00 0.00 C ATOM 874 CG GLU A 58 18.724 4.784 -1.469 1.00 0.00 C ATOM 875 CD GLU A 58 18.661 5.115 -2.949 1.00 0.00 C ATOM 876 OE1 GLU A 58 19.008 4.254 -3.779 1.00 0.00 O1- ATOM 877 OE2 GLU A 58 18.219 6.236 -3.307 1.00 0.00 O ATOM 0 H GLU A 58 16.390 5.260 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 58 16.449 3.997 -2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 58 17.894 3.428 -0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 18.271 2.699 -1.590 1.00 0.00 H new ATOM 0 HG2 GLU A 58 18.398 5.648 -0.890 1.00 0.00 H new ATOM 0 HG3 GLU A 58 19.757 4.583 -1.187 1.00 0.00 H new ATOM 884 N PHE A 59 14.314 2.800 -1.306 1.00 0.00 N ATOM 885 CA PHE A 59 13.339 1.723 -1.236 1.00 0.00 C ATOM 886 C PHE A 59 12.355 1.914 -2.368 1.00 0.00 C ATOM 887 O PHE A 59 11.387 1.169 -2.491 1.00 0.00 O ATOM 888 CB PHE A 59 12.513 1.780 0.035 1.00 0.00 C ATOM 889 CG PHE A 59 13.265 2.123 1.287 1.00 0.00 C ATOM 890 CD1 PHE A 59 13.844 1.135 2.053 1.00 0.00 C ATOM 891 CD2 PHE A 59 13.380 3.439 1.697 1.00 0.00 C ATOM 892 CE1 PHE A 59 14.526 1.454 3.208 1.00 0.00 C ATOM 893 CE2 PHE A 59 14.061 3.765 2.846 1.00 0.00 C ATOM 894 CZ PHE A 59 14.636 2.772 3.604 1.00 0.00 C ATOM 0 H PHE A 59 13.908 3.734 -1.260 1.00 0.00 H new ATOM 0 HA PHE A 59 13.886 0.781 -1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 59 11.719 2.514 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 59 12.031 0.813 0.177 1.00 0.00 H new ATOM 0 HD1 PHE A 59 13.763 0.103 1.746 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.928 4.222 1.106 1.00 0.00 H new ATOM 0 HE1 PHE A 59 14.974 0.672 3.803 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.144 4.797 3.152 1.00 0.00 H new ATOM 0 HZ PHE A 59 15.172 3.023 4.507 1.00 0.00 H new ATOM 904 N LYS A 60 12.619 2.904 -3.189 1.00 0.00 N ATOM 905 CA LYS A 60 11.718 3.352 -4.235 1.00 0.00 C ATOM 906 C LYS A 60 11.480 2.336 -5.335 1.00 0.00 C ATOM 907 O LYS A 60 10.509 2.440 -6.095 1.00 0.00 O ATOM 908 CB LYS A 60 12.175 4.726 -4.718 1.00 0.00 C ATOM 909 CG LYS A 60 13.605 4.789 -5.138 1.00 0.00 C ATOM 910 CD LYS A 60 14.107 6.214 -5.294 1.00 0.00 C ATOM 911 CE LYS A 60 15.603 6.226 -5.560 1.00 0.00 C ATOM 912 NZ LYS A 60 16.187 7.572 -5.431 1.00 0.00 N1+ ATOM 0 H LYS A 60 13.488 3.436 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 60 10.718 3.455 -3.814 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.549 5.029 -5.557 1.00 0.00 H new ATOM 0 HB3 LYS A 60 12.011 5.451 -3.920 1.00 0.00 H new ATOM 0 HG2 LYS A 60 14.219 4.270 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.726 4.260 -6.083 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.582 6.703 -6.115 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.888 6.784 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.098 5.550 -4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 60 15.794 5.845 -6.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 17.198 7.491 -5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 16.078 8.085 -6.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.699 8.091 -4.674 1.00 0.00 H new ATOM 926 N ASP A 61 12.333 1.361 -5.400 1.00 0.00 N ATOM 927 CA ASP A 61 12.144 0.224 -6.296 1.00 0.00 C ATOM 928 C ASP A 61 12.058 -1.046 -5.494 1.00 0.00 C ATOM 929 O ASP A 61 11.958 -2.150 -6.056 1.00 0.00 O ATOM 930 CB ASP A 61 13.271 0.081 -7.321 1.00 0.00 C ATOM 931 CG ASP A 61 13.197 1.062 -8.450 1.00 0.00 C ATOM 932 OD1 ASP A 61 12.274 0.963 -9.286 1.00 0.00 O1- ATOM 933 OD2 ASP A 61 14.072 1.934 -8.558 1.00 0.00 O ATOM 0 H ASP A 61 13.185 1.315 -4.841 1.00 0.00 H new ATOM 0 HA ASP A 61 11.218 0.406 -6.842 1.00 0.00 H new ATOM 0 HB2 ASP A 61 14.228 0.200 -6.812 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.250 -0.929 -7.729 1.00 0.00 H new ATOM 938 N ARG A 62 12.059 -0.900 -4.182 1.00 0.00 N ATOM 939 CA ARG A 62 12.094 -2.032 -3.291 1.00 0.00 C ATOM 940 C ARG A 62 10.700 -2.377 -2.878 1.00 0.00 C ATOM 941 O ARG A 62 10.290 -3.531 -2.842 1.00 0.00 O ATOM 942 CB ARG A 62 12.916 -1.651 -2.078 1.00 0.00 C ATOM 943 CG ARG A 62 13.303 -2.791 -1.189 1.00 0.00 C ATOM 944 CD ARG A 62 14.207 -2.326 -0.072 1.00 0.00 C ATOM 945 NE ARG A 62 14.788 -3.452 0.659 1.00 0.00 N ATOM 946 CZ ARG A 62 16.091 -3.768 0.645 1.00 0.00 C ATOM 947 NH1 ARG A 62 16.940 -3.111 -0.152 1.00 0.00 N1+ ATOM 948 NH2 ARG A 62 16.532 -4.760 1.395 1.00 0.00 N ATOM 0 H ARG A 62 12.036 0.004 -3.711 1.00 0.00 H new ATOM 0 HA ARG A 62 12.538 -2.897 -3.784 1.00 0.00 H new ATOM 0 HB2 ARG A 62 13.823 -1.150 -2.416 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.353 -0.927 -1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.407 -3.249 -0.769 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.809 -3.558 -1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 62 15.005 -1.709 -0.483 1.00 0.00 H new ATOM 0 HD3 ARG A 62 13.641 -1.698 0.617 1.00 0.00 H new ATOM 0 HE ARG A 62 14.162 -4.034 1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.598 -2.363 -0.755 1.00 0.00 H new ATOM 0 HH12 ARG A 62 17.930 -3.358 -0.157 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.882 -5.283 1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 62 17.522 -5.004 1.387 1.00 0.00 H new ATOM 962 N VAL A 63 10.012 -1.363 -2.544 1.00 0.00 N ATOM 963 CA VAL A 63 8.651 -1.410 -2.126 1.00 0.00 C ATOM 964 C VAL A 63 7.893 -0.298 -2.834 1.00 0.00 C ATOM 965 O VAL A 63 8.437 0.793 -3.065 1.00 0.00 O ATOM 966 CB VAL A 63 8.559 -1.143 -0.613 1.00 0.00 C ATOM 967 CG1 VAL A 63 7.132 -1.204 -0.085 1.00 0.00 C ATOM 968 CG2 VAL A 63 9.487 -2.035 0.171 1.00 0.00 C ATOM 0 H VAL A 63 10.394 -0.417 -2.551 1.00 0.00 H new ATOM 0 HA VAL A 63 8.236 -2.390 -2.360 1.00 0.00 H new ATOM 0 HB VAL A 63 8.893 -0.116 -0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.132 -1.008 0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.524 -0.454 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.717 -2.194 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.391 -1.815 1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.227 -3.078 -0.008 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.515 -1.858 -0.145 1.00 0.00 H new ATOM 978 N VAL A 64 6.691 -0.570 -3.194 1.00 0.00 N ATOM 979 CA VAL A 64 5.812 0.417 -3.736 1.00 0.00 C ATOM 980 C VAL A 64 4.628 0.520 -2.825 1.00 0.00 C ATOM 981 O VAL A 64 3.951 -0.478 -2.549 1.00 0.00 O ATOM 982 CB VAL A 64 5.365 0.099 -5.202 1.00 0.00 C ATOM 983 CG1 VAL A 64 4.223 1.017 -5.643 1.00 0.00 C ATOM 984 CG2 VAL A 64 6.536 0.286 -6.152 1.00 0.00 C ATOM 0 H VAL A 64 6.278 -1.500 -3.121 1.00 0.00 H new ATOM 0 HA VAL A 64 6.343 1.367 -3.795 1.00 0.00 H new ATOM 0 HB VAL A 64 5.019 -0.934 -5.228 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.934 0.773 -6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.368 0.878 -4.981 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.552 2.055 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.218 0.063 -7.170 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.887 1.317 -6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.345 -0.387 -5.869 1.00 0.00 H new ATOM 994 N ILE A 65 4.430 1.684 -2.284 1.00 0.00 N ATOM 995 CA ILE A 65 3.308 1.926 -1.475 1.00 0.00 C ATOM 996 C ILE A 65 2.211 2.330 -2.445 1.00 0.00 C ATOM 997 O ILE A 65 2.373 3.303 -3.196 1.00 0.00 O ATOM 998 CB ILE A 65 3.625 3.066 -0.454 1.00 0.00 C ATOM 999 CG1 ILE A 65 4.929 2.760 0.325 1.00 0.00 C ATOM 1000 CG2 ILE A 65 2.487 3.257 0.522 1.00 0.00 C ATOM 1001 CD1 ILE A 65 4.899 1.472 1.121 1.00 0.00 C ATOM 0 H ILE A 65 5.052 2.484 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 65 3.013 1.059 -0.884 1.00 0.00 H new ATOM 0 HB ILE A 65 3.756 3.986 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.757 2.716 -0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.134 3.587 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.736 4.056 1.220 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.581 3.521 -0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.322 2.332 1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.852 1.339 1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.095 1.517 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 65 4.729 0.632 0.448 1.00 0.00 H new ATOM 1013 N ALA A 66 1.177 1.538 -2.521 1.00 0.00 N ATOM 1014 CA ALA A 66 0.105 1.761 -3.454 1.00 0.00 C ATOM 1015 C ALA A 66 -1.242 1.775 -2.754 1.00 0.00 C ATOM 1016 O ALA A 66 -1.387 1.269 -1.659 1.00 0.00 O ATOM 1017 CB ALA A 66 0.125 0.676 -4.517 1.00 0.00 C ATOM 0 H ALA A 66 1.053 0.714 -1.933 1.00 0.00 H new ATOM 0 HA ALA A 66 0.251 2.736 -3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.687 0.845 -5.224 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.078 0.702 -5.046 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.001 -0.298 -4.045 1.00 0.00 H new ATOM 1023 N LYS A 67 -2.231 2.339 -3.392 1.00 0.00 N ATOM 1024 CA LYS A 67 -3.543 2.382 -2.827 1.00 0.00 C ATOM 1025 C LYS A 67 -4.568 2.468 -3.908 1.00 0.00 C ATOM 1026 O LYS A 67 -4.332 3.090 -4.945 1.00 0.00 O ATOM 1027 CB LYS A 67 -3.718 3.512 -1.788 1.00 0.00 C ATOM 1028 CG LYS A 67 -3.414 4.923 -2.254 1.00 0.00 C ATOM 1029 CD LYS A 67 -3.768 5.907 -1.148 1.00 0.00 C ATOM 1030 CE LYS A 67 -3.419 7.328 -1.512 1.00 0.00 C ATOM 1031 NZ LYS A 67 -3.851 8.287 -0.473 1.00 0.00 N1+ ATOM 0 H LYS A 67 -2.147 2.777 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.688 1.451 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.747 3.487 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.077 3.291 -0.934 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.359 5.013 -2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.983 5.151 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.835 5.841 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.242 5.629 -0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.342 7.411 -1.657 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.889 7.585 -2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.592 9.252 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.882 8.227 -0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.383 8.058 0.427 1.00 0.00 H new ATOM 1045 N VAL A 68 -5.679 1.848 -3.682 1.00 0.00 N ATOM 1046 CA VAL A 68 -6.741 1.815 -4.637 1.00 0.00 C ATOM 1047 C VAL A 68 -7.992 2.319 -3.964 1.00 0.00 C ATOM 1048 O VAL A 68 -8.233 2.054 -2.774 1.00 0.00 O ATOM 1049 CB VAL A 68 -6.986 0.368 -5.215 1.00 0.00 C ATOM 1050 CG1 VAL A 68 -7.354 -0.583 -4.112 1.00 0.00 C ATOM 1051 CG2 VAL A 68 -8.095 0.373 -6.263 1.00 0.00 C ATOM 0 H VAL A 68 -5.879 1.343 -2.819 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.468 2.447 -5.482 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.058 0.041 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.520 -1.577 -4.528 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.545 -0.625 -3.383 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.265 -0.238 -3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.241 -0.638 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.021 0.728 -5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.816 1.033 -7.085 1.00 0.00 H new ATOM 1061 N ASP A 69 -8.752 3.068 -4.677 1.00 0.00 N ATOM 1062 CA ASP A 69 -10.004 3.532 -4.150 1.00 0.00 C ATOM 1063 C ASP A 69 -10.990 2.439 -4.409 1.00 0.00 C ATOM 1064 O ASP A 69 -11.375 2.209 -5.549 1.00 0.00 O ATOM 1065 CB ASP A 69 -10.458 4.843 -4.798 1.00 0.00 C ATOM 1066 CG ASP A 69 -11.733 5.380 -4.193 1.00 0.00 C ATOM 1067 OD1 ASP A 69 -12.713 4.658 -4.155 1.00 0.00 O1- ATOM 1068 OD2 ASP A 69 -11.762 6.547 -3.764 1.00 0.00 O ATOM 0 H ASP A 69 -8.539 3.378 -5.625 1.00 0.00 H new ATOM 0 HA ASP A 69 -9.911 3.751 -3.086 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -9.669 5.588 -4.693 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.606 4.684 -5.866 1.00 0.00 H new ATOM 1073 N ALA A 70 -11.390 1.788 -3.359 1.00 0.00 N ATOM 1074 CA ALA A 70 -12.209 0.593 -3.402 1.00 0.00 C ATOM 1075 C ALA A 70 -13.650 0.885 -3.770 1.00 0.00 C ATOM 1076 O ALA A 70 -14.424 -0.032 -4.056 1.00 0.00 O ATOM 1077 CB ALA A 70 -12.167 -0.072 -2.043 1.00 0.00 C ATOM 0 H ALA A 70 -11.152 2.077 -2.410 1.00 0.00 H new ATOM 0 HA ALA A 70 -11.805 -0.060 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.779 -0.974 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.138 -0.337 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -12.553 0.615 -1.290 1.00 0.00 H new ATOM 1083 N THR A 71 -14.013 2.126 -3.771 1.00 0.00 N ATOM 1084 CA THR A 71 -15.380 2.471 -4.021 1.00 0.00 C ATOM 1085 C THR A 71 -15.545 3.188 -5.376 1.00 0.00 C ATOM 1086 O THR A 71 -16.653 3.254 -5.935 1.00 0.00 O ATOM 1087 CB THR A 71 -15.981 3.273 -2.825 1.00 0.00 C ATOM 1088 OG1 THR A 71 -17.383 3.506 -2.997 1.00 0.00 O ATOM 1089 CG2 THR A 71 -15.255 4.582 -2.605 1.00 0.00 C ATOM 0 H THR A 71 -13.389 2.915 -3.603 1.00 0.00 H new ATOM 0 HA THR A 71 -15.957 1.550 -4.099 1.00 0.00 H new ATOM 0 HB THR A 71 -15.844 2.657 -1.936 1.00 0.00 H new ATOM 0 HG1 THR A 71 -17.728 4.009 -2.230 1.00 0.00 H new ATOM 0 HG21 THR A 71 -15.704 5.110 -1.764 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.205 4.384 -2.391 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.333 5.196 -3.502 1.00 0.00 H new ATOM 1097 N ALA A 72 -14.454 3.700 -5.907 1.00 0.00 N ATOM 1098 CA ALA A 72 -14.454 4.329 -7.201 1.00 0.00 C ATOM 1099 C ALA A 72 -14.007 3.313 -8.184 1.00 0.00 C ATOM 1100 O ALA A 72 -14.387 3.316 -9.350 1.00 0.00 O ATOM 1101 CB ALA A 72 -13.505 5.512 -7.221 1.00 0.00 C ATOM 0 H ALA A 72 -13.543 3.689 -5.448 1.00 0.00 H new ATOM 0 HA ALA A 72 -15.451 4.697 -7.441 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.520 5.974 -8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.818 6.242 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.495 5.172 -6.995 1.00 0.00 H new ATOM 1107 N ASN A 73 -13.185 2.437 -7.700 1.00 0.00 N ATOM 1108 CA ASN A 73 -12.665 1.376 -8.467 1.00 0.00 C ATOM 1109 C ASN A 73 -12.845 0.135 -7.653 1.00 0.00 C ATOM 1110 O ASN A 73 -11.953 -0.244 -6.896 1.00 0.00 O ATOM 1111 CB ASN A 73 -11.167 1.579 -8.753 1.00 0.00 C ATOM 1112 CG ASN A 73 -10.809 2.926 -9.340 1.00 0.00 C ATOM 1113 OD1 ASN A 73 -10.769 3.107 -10.555 1.00 0.00 O ATOM 1114 ND2 ASN A 73 -10.533 3.880 -8.480 1.00 0.00 N ATOM 0 H ASN A 73 -12.855 2.450 -6.735 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.179 1.318 -9.426 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.613 1.445 -7.824 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -10.834 0.800 -9.438 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.275 4.809 -8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.577 3.692 -7.478 1.00 0.00 H new ATOM 1121 N ASP A 74 -14.026 -0.443 -7.718 1.00 0.00 N ATOM 1122 CA ASP A 74 -14.306 -1.612 -6.923 1.00 0.00 C ATOM 1123 C ASP A 74 -13.452 -2.762 -7.377 1.00 0.00 C ATOM 1124 O ASP A 74 -13.318 -3.043 -8.575 1.00 0.00 O ATOM 1125 CB ASP A 74 -15.798 -1.982 -6.869 1.00 0.00 C ATOM 1126 CG ASP A 74 -16.380 -2.437 -8.175 1.00 0.00 C ATOM 1127 OD1 ASP A 74 -16.846 -1.577 -8.955 1.00 0.00 O1- ATOM 1128 OD2 ASP A 74 -16.423 -3.655 -8.426 1.00 0.00 O ATOM 0 H ASP A 74 -14.796 -0.125 -8.306 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.045 -1.367 -5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -15.936 -2.772 -6.131 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -16.360 -1.117 -6.518 1.00 0.00 H new ATOM 1133 N VAL A 75 -12.851 -3.382 -6.430 1.00 0.00 N ATOM 1134 CA VAL A 75 -11.880 -4.396 -6.669 1.00 0.00 C ATOM 1135 C VAL A 75 -12.497 -5.786 -6.607 1.00 0.00 C ATOM 1136 O VAL A 75 -13.568 -5.971 -6.026 1.00 0.00 O ATOM 1137 CB VAL A 75 -10.721 -4.280 -5.641 1.00 0.00 C ATOM 1138 CG1 VAL A 75 -10.007 -2.942 -5.806 1.00 0.00 C ATOM 1139 CG2 VAL A 75 -11.250 -4.424 -4.212 1.00 0.00 C ATOM 0 H VAL A 75 -13.021 -3.198 -5.441 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.486 -4.250 -7.675 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.011 -5.086 -5.827 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.196 -2.870 -5.081 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.600 -2.869 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.714 -2.129 -5.641 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.423 -4.340 -3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -11.978 -3.638 -4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.727 -5.397 -4.097 1.00 0.00 H new ATOM 1149 N PRO A 76 -11.860 -6.772 -7.256 1.00 0.00 N ATOM 1150 CA PRO A 76 -12.286 -8.179 -7.183 1.00 0.00 C ATOM 1151 C PRO A 76 -11.739 -8.839 -5.914 1.00 0.00 C ATOM 1152 O PRO A 76 -12.073 -9.984 -5.583 1.00 0.00 O ATOM 1153 CB PRO A 76 -11.613 -8.791 -8.410 1.00 0.00 C ATOM 1154 CG PRO A 76 -10.358 -8.006 -8.566 1.00 0.00 C ATOM 1155 CD PRO A 76 -10.709 -6.597 -8.186 1.00 0.00 C ATOM 0 HA PRO A 76 -13.369 -8.303 -7.159 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.404 -9.851 -8.263 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.246 -8.710 -9.294 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -9.568 -8.399 -7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -9.991 -8.055 -9.591 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -9.874 -6.090 -7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.982 -6.001 -9.057 1.00 0.00 H new ATOM 1163 N ASP A 77 -10.883 -8.093 -5.235 1.00 0.00 N ATOM 1164 CA ASP A 77 -10.207 -8.526 -4.019 1.00 0.00 C ATOM 1165 C ASP A 77 -11.238 -8.678 -2.900 1.00 0.00 C ATOM 1166 O ASP A 77 -12.274 -7.989 -2.902 1.00 0.00 O ATOM 1167 CB ASP A 77 -9.175 -7.472 -3.608 1.00 0.00 C ATOM 1168 CG ASP A 77 -7.994 -8.040 -2.853 1.00 0.00 C ATOM 1169 OD1 ASP A 77 -8.179 -8.870 -1.954 1.00 0.00 O ATOM 1170 OD2 ASP A 77 -6.850 -7.645 -3.159 1.00 0.00 O1- ATOM 0 H ASP A 77 -10.632 -7.146 -5.520 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.708 -9.479 -4.197 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.813 -6.963 -4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.664 -6.720 -2.988 1.00 0.00 H new ATOM 1175 N GLU A 78 -10.955 -9.526 -1.955 1.00 0.00 N ATOM 1176 CA GLU A 78 -11.885 -9.812 -0.890 1.00 0.00 C ATOM 1177 C GLU A 78 -11.586 -8.920 0.306 1.00 0.00 C ATOM 1178 O GLU A 78 -10.456 -8.865 0.773 1.00 0.00 O ATOM 1179 CB GLU A 78 -11.790 -11.279 -0.487 1.00 0.00 C ATOM 1180 CG GLU A 78 -12.838 -11.700 0.517 1.00 0.00 C ATOM 1181 CD GLU A 78 -12.693 -13.129 0.946 1.00 0.00 C ATOM 1182 OE1 GLU A 78 -12.871 -14.035 0.109 1.00 0.00 O ATOM 1183 OE2 GLU A 78 -12.448 -13.377 2.152 1.00 0.00 O1- ATOM 0 H GLU A 78 -10.076 -10.040 -1.896 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.898 -9.613 -1.240 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -11.884 -11.899 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -10.801 -11.469 -0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.775 -11.055 1.393 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.828 -11.554 0.084 1.00 0.00 H new ATOM 1190 N ILE A 79 -12.578 -8.222 0.788 1.00 0.00 N ATOM 1191 CA ILE A 79 -12.396 -7.327 1.902 1.00 0.00 C ATOM 1192 C ILE A 79 -13.374 -7.674 3.036 1.00 0.00 C ATOM 1193 O ILE A 79 -14.580 -7.840 2.805 1.00 0.00 O ATOM 1194 CB ILE A 79 -12.553 -5.841 1.455 1.00 0.00 C ATOM 1195 CG1 ILE A 79 -11.504 -5.512 0.379 1.00 0.00 C ATOM 1196 CG2 ILE A 79 -12.422 -4.886 2.636 1.00 0.00 C ATOM 1197 CD1 ILE A 79 -11.528 -4.087 -0.093 1.00 0.00 C ATOM 0 H ILE A 79 -13.530 -8.256 0.424 1.00 0.00 H new ATOM 0 HA ILE A 79 -11.381 -7.451 2.281 1.00 0.00 H new ATOM 0 HB ILE A 79 -13.552 -5.712 1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.513 -5.735 0.775 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -11.661 -6.169 -0.477 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -12.537 -3.859 2.288 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -13.195 -5.108 3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.440 -5.006 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -10.757 -3.941 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -12.505 -3.862 -0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -11.339 -3.421 0.749 1.00 0.00 H new ATOM 1209 N GLN A 80 -12.840 -7.827 4.237 1.00 0.00 N ATOM 1210 CA GLN A 80 -13.627 -8.159 5.426 1.00 0.00 C ATOM 1211 C GLN A 80 -14.302 -6.909 6.015 1.00 0.00 C ATOM 1212 O GLN A 80 -15.356 -6.991 6.661 1.00 0.00 O ATOM 1213 CB GLN A 80 -12.764 -8.902 6.496 1.00 0.00 C ATOM 1214 CG GLN A 80 -11.635 -8.090 7.182 1.00 0.00 C ATOM 1215 CD GLN A 80 -10.570 -7.541 6.239 1.00 0.00 C ATOM 1216 OE1 GLN A 80 -10.283 -8.120 5.191 1.00 0.00 O ATOM 1217 NE2 GLN A 80 -9.986 -6.442 6.601 1.00 0.00 N ATOM 0 H GLN A 80 -11.842 -7.725 4.421 1.00 0.00 H new ATOM 0 HA GLN A 80 -14.417 -8.843 5.116 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -13.433 -9.273 7.272 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.313 -9.773 6.021 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -12.084 -7.257 7.722 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -11.150 -8.726 7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.249 -5.989 7.476 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.263 -6.030 6.011 1.00 0.00 H new ATOM 1226 N GLY A 81 -13.693 -5.768 5.798 1.00 0.00 N ATOM 1227 CA GLY A 81 -14.270 -4.508 6.228 1.00 0.00 C ATOM 1228 C GLY A 81 -14.656 -3.725 5.011 1.00 0.00 C ATOM 1229 O GLY A 81 -15.457 -4.195 4.208 1.00 0.00 O ATOM 0 H GLY A 81 -12.794 -5.682 5.324 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.142 -4.685 6.857 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.553 -3.948 6.828 1.00 0.00 H new ATOM 1233 N PHE A 82 -14.098 -2.560 4.847 1.00 0.00 N ATOM 1234 CA PHE A 82 -14.239 -1.857 3.595 1.00 0.00 C ATOM 1235 C PHE A 82 -12.877 -1.338 3.154 1.00 0.00 C ATOM 1236 O PHE A 82 -12.421 -1.680 2.073 1.00 0.00 O ATOM 1237 CB PHE A 82 -15.355 -0.792 3.553 1.00 0.00 C ATOM 1238 CG PHE A 82 -15.602 -0.298 2.157 1.00 0.00 C ATOM 1239 CD1 PHE A 82 -16.503 -0.967 1.353 1.00 0.00 C ATOM 1240 CD2 PHE A 82 -14.934 0.817 1.640 1.00 0.00 C ATOM 1241 CE1 PHE A 82 -16.750 -0.551 0.066 1.00 0.00 C ATOM 1242 CE2 PHE A 82 -15.180 1.236 0.346 1.00 0.00 C ATOM 1243 CZ PHE A 82 -16.093 0.548 -0.439 1.00 0.00 C ATOM 0 H PHE A 82 -13.545 -2.076 5.555 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.597 -2.580 2.862 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -16.275 -1.214 3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -15.081 0.047 4.192 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -17.022 -1.831 1.741 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -14.224 1.352 2.254 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -17.459 -1.086 -0.548 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -14.663 2.096 -0.052 1.00 0.00 H new ATOM 0 HZ PHE A 82 -16.289 0.875 -1.449 1.00 0.00 H new ATOM 1253 N PRO A 83 -12.172 -0.502 3.956 1.00 0.00 N ATOM 1254 CA PRO A 83 -10.809 -0.214 3.663 1.00 0.00 C ATOM 1255 C PRO A 83 -9.936 -1.250 4.309 1.00 0.00 C ATOM 1256 O PRO A 83 -10.294 -1.813 5.365 1.00 0.00 O ATOM 1257 CB PRO A 83 -10.560 1.158 4.258 1.00 0.00 C ATOM 1258 CG PRO A 83 -11.849 1.566 4.905 1.00 0.00 C ATOM 1259 CD PRO A 83 -12.614 0.291 5.117 1.00 0.00 C ATOM 0 HA PRO A 83 -10.589 -0.227 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.750 1.126 4.987 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -10.267 1.871 3.487 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -11.669 2.077 5.851 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -12.405 2.256 4.271 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.362 -0.188 6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.692 0.453 5.119 1.00 0.00 H new ATOM 1267 N THR A 84 -8.838 -1.526 3.711 1.00 0.00 N ATOM 1268 CA THR A 84 -7.977 -2.605 4.159 1.00 0.00 C ATOM 1269 C THR A 84 -6.591 -2.425 3.564 1.00 0.00 C ATOM 1270 O THR A 84 -6.455 -1.836 2.512 1.00 0.00 O ATOM 1271 CB THR A 84 -8.601 -3.990 3.719 1.00 0.00 C ATOM 1272 OG1 THR A 84 -9.817 -4.241 4.438 1.00 0.00 O ATOM 1273 CG2 THR A 84 -7.666 -5.162 3.920 1.00 0.00 C ATOM 0 H THR A 84 -8.492 -1.022 2.894 1.00 0.00 H new ATOM 0 HA THR A 84 -7.893 -2.590 5.246 1.00 0.00 H new ATOM 0 HB THR A 84 -8.795 -3.903 2.650 1.00 0.00 H new ATOM 0 HG1 THR A 84 -9.960 -3.530 5.097 1.00 0.00 H new ATOM 0 HG21 THR A 84 -8.158 -6.080 3.598 1.00 0.00 H new ATOM 0 HG22 THR A 84 -6.761 -5.010 3.332 1.00 0.00 H new ATOM 0 HG23 THR A 84 -7.404 -5.242 4.975 1.00 0.00 H new ATOM 1281 N ILE A 85 -5.583 -2.867 4.249 1.00 0.00 N ATOM 1282 CA ILE A 85 -4.255 -2.828 3.719 1.00 0.00 C ATOM 1283 C ILE A 85 -3.830 -4.244 3.438 1.00 0.00 C ATOM 1284 O ILE A 85 -4.139 -5.124 4.196 1.00 0.00 O ATOM 1285 CB ILE A 85 -3.258 -2.173 4.701 1.00 0.00 C ATOM 1286 CG1 ILE A 85 -3.711 -0.763 5.042 1.00 0.00 C ATOM 1287 CG2 ILE A 85 -1.841 -2.153 4.117 1.00 0.00 C ATOM 1288 CD1 ILE A 85 -2.762 -0.050 5.949 1.00 0.00 C ATOM 0 H ILE A 85 -5.656 -3.263 5.186 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.254 -2.225 2.811 1.00 0.00 H new ATOM 0 HB ILE A 85 -3.236 -2.769 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.825 -0.191 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.693 -0.806 5.514 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.160 -1.687 4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.515 -3.174 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.839 -1.584 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.140 0.951 6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.667 -0.603 6.884 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.786 0.022 5.470 1.00 0.00 H new ATOM 1300 N LYS A 86 -3.196 -4.465 2.341 1.00 0.00 N ATOM 1301 CA LYS A 86 -2.698 -5.761 2.000 1.00 0.00 C ATOM 1302 C LYS A 86 -1.327 -5.635 1.434 1.00 0.00 C ATOM 1303 O LYS A 86 -1.094 -4.855 0.535 1.00 0.00 O ATOM 1304 CB LYS A 86 -3.610 -6.499 1.022 1.00 0.00 C ATOM 1305 CG LYS A 86 -4.956 -6.862 1.596 1.00 0.00 C ATOM 1306 CD LYS A 86 -5.743 -7.763 0.689 1.00 0.00 C ATOM 1307 CE LYS A 86 -7.081 -8.070 1.313 1.00 0.00 C ATOM 1308 NZ LYS A 86 -7.803 -9.111 0.596 1.00 0.00 N1+ ATOM 0 H LYS A 86 -3.004 -3.746 1.643 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.669 -6.355 2.914 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.758 -5.877 0.139 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.110 -7.409 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.816 -7.353 2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.526 -5.952 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.884 -7.285 -0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.193 -8.687 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -6.934 -8.381 2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.685 -7.163 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.806 -9.090 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.720 -8.949 -0.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.399 -10.040 0.833 1.00 0.00 H new ATOM 1322 N LEU A 87 -0.428 -6.379 1.961 1.00 0.00 N ATOM 1323 CA LEU A 87 0.924 -6.336 1.520 1.00 0.00 C ATOM 1324 C LEU A 87 1.128 -7.512 0.638 1.00 0.00 C ATOM 1325 O LEU A 87 0.964 -8.649 1.089 1.00 0.00 O ATOM 1326 CB LEU A 87 1.833 -6.395 2.762 1.00 0.00 C ATOM 1327 CG LEU A 87 3.417 -6.297 2.645 1.00 0.00 C ATOM 1328 CD1 LEU A 87 4.021 -7.581 2.179 1.00 0.00 C ATOM 1329 CD2 LEU A 87 3.833 -5.193 1.699 1.00 0.00 C ATOM 0 H LEU A 87 -0.606 -7.041 2.716 1.00 0.00 H new ATOM 0 HA LEU A 87 1.159 -5.426 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.515 -5.590 3.424 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.611 -7.333 3.271 1.00 0.00 H new ATOM 0 HG LEU A 87 3.783 -6.075 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.103 -7.471 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.780 -8.374 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.621 -7.836 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.921 -5.153 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.425 -5.390 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.454 -4.239 2.064 1.00 0.00 H new ATOM 1341 N TYR A 88 1.385 -7.253 -0.605 1.00 0.00 N ATOM 1342 CA TYR A 88 1.742 -8.275 -1.532 1.00 0.00 C ATOM 1343 C TYR A 88 3.237 -8.240 -1.639 1.00 0.00 C ATOM 1344 O TYR A 88 3.790 -7.360 -2.292 1.00 0.00 O ATOM 1345 CB TYR A 88 1.122 -8.060 -2.922 1.00 0.00 C ATOM 1346 CG TYR A 88 -0.385 -8.219 -3.001 1.00 0.00 C ATOM 1347 CD1 TYR A 88 -1.251 -7.382 -2.300 1.00 0.00 C ATOM 1348 CD2 TYR A 88 -0.935 -9.226 -3.771 1.00 0.00 C ATOM 1349 CE1 TYR A 88 -2.621 -7.554 -2.373 1.00 0.00 C ATOM 1350 CE2 TYR A 88 -2.298 -9.406 -3.842 1.00 0.00 C ATOM 1351 CZ TYR A 88 -3.134 -8.570 -3.146 1.00 0.00 C ATOM 1352 OH TYR A 88 -4.488 -8.789 -3.190 1.00 0.00 O ATOM 0 H TYR A 88 1.352 -6.316 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 88 1.367 -9.235 -1.177 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.382 -7.058 -3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 88 1.580 -8.764 -3.617 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -0.846 -6.587 -1.691 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.284 -9.884 -4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.282 -6.897 -1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -2.708 -10.203 -4.444 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.961 -7.937 -3.084 1.00 0.00 H new ATOM 1362 N PRO A 89 3.929 -9.109 -0.907 1.00 0.00 N ATOM 1363 CA PRO A 89 5.356 -9.144 -0.923 1.00 0.00 C ATOM 1364 C PRO A 89 5.859 -9.570 -2.230 1.00 0.00 C ATOM 1365 O PRO A 89 5.173 -10.310 -2.980 1.00 0.00 O ATOM 1366 CB PRO A 89 5.720 -10.256 0.041 1.00 0.00 C ATOM 1367 CG PRO A 89 4.498 -11.047 0.206 1.00 0.00 C ATOM 1368 CD PRO A 89 3.379 -10.109 -0.001 1.00 0.00 C ATOM 0 HA PRO A 89 5.764 -8.163 -0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.532 -10.867 -0.353 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.058 -9.853 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.461 -11.864 -0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.454 -11.495 1.199 1.00 0.00 H new ATOM 0 HD2 PRO A 89 2.513 -10.609 -0.435 1.00 0.00 H new ATOM 0 HD3 PRO A 89 3.052 -9.662 0.938 1.00 0.00 H new ATOM 1376 N ALA A 90 7.055 -9.227 -2.488 1.00 0.00 N ATOM 1377 CA ALA A 90 7.677 -9.731 -3.629 1.00 0.00 C ATOM 1378 C ALA A 90 8.187 -11.107 -3.278 1.00 0.00 C ATOM 1379 O ALA A 90 9.342 -11.299 -2.903 1.00 0.00 O ATOM 1380 CB ALA A 90 8.800 -8.836 -4.068 1.00 0.00 C ATOM 0 H ALA A 90 7.621 -8.597 -1.920 1.00 0.00 H new ATOM 0 HA ALA A 90 6.975 -9.781 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.269 -9.251 -4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.408 -7.844 -4.293 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.539 -8.762 -3.270 1.00 0.00 H new ATOM 1386 N GLY A 91 7.267 -12.022 -3.271 1.00 0.00 N ATOM 1387 CA GLY A 91 7.581 -13.398 -3.095 1.00 0.00 C ATOM 1388 C GLY A 91 6.387 -14.171 -2.616 1.00 0.00 C ATOM 1389 O GLY A 91 6.315 -15.374 -2.796 1.00 0.00 O ATOM 0 H GLY A 91 6.272 -11.829 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.934 -13.816 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 91 8.395 -13.499 -2.377 1.00 0.00 H new ATOM 1393 N ALA A 92 5.437 -13.489 -1.993 1.00 0.00 N ATOM 1394 CA ALA A 92 4.252 -14.174 -1.502 1.00 0.00 C ATOM 1395 C ALA A 92 2.977 -13.359 -1.771 1.00 0.00 C ATOM 1396 O ALA A 92 2.239 -13.002 -0.854 1.00 0.00 O ATOM 1397 CB ALA A 92 4.419 -14.493 -0.018 1.00 0.00 C ATOM 0 H ALA A 92 5.461 -12.484 -1.818 1.00 0.00 H new ATOM 0 HA ALA A 92 4.140 -15.112 -2.046 1.00 0.00 H new ATOM 0 HB1 ALA A 92 3.529 -15.006 0.346 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.290 -15.134 0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.558 -13.567 0.540 1.00 0.00 H new ATOM 1403 N LYS A 93 2.702 -13.113 -3.039 1.00 0.00 N ATOM 1404 CA LYS A 93 1.554 -12.292 -3.475 1.00 0.00 C ATOM 1405 C LYS A 93 0.238 -13.109 -3.392 1.00 0.00 C ATOM 1406 O LYS A 93 -0.827 -12.638 -3.793 1.00 0.00 O ATOM 1407 CB LYS A 93 1.772 -11.845 -4.942 1.00 0.00 C ATOM 1408 CG LYS A 93 1.782 -13.001 -5.938 1.00 0.00 C ATOM 1409 CD LYS A 93 1.955 -12.545 -7.378 1.00 0.00 C ATOM 1410 CE LYS A 93 3.323 -11.956 -7.630 1.00 0.00 C ATOM 1411 NZ LYS A 93 3.512 -11.607 -9.058 1.00 0.00 N1+ ATOM 0 H LYS A 93 3.264 -13.473 -3.811 1.00 0.00 H new ATOM 0 HA LYS A 93 1.478 -11.424 -2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.985 -11.144 -5.220 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.718 -11.307 -5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.589 -13.687 -5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.849 -13.558 -5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.797 -13.391 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 93 1.193 -11.803 -7.617 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.455 -11.065 -7.017 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.089 -12.669 -7.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.524 -11.465 -9.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 3.151 -12.379 -9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 2.993 -10.732 -9.273 1.00 0.00 H new ATOM 1425 N GLY A 94 0.329 -14.321 -2.861 1.00 0.00 N ATOM 1426 CA GLY A 94 -0.806 -15.218 -2.789 1.00 0.00 C ATOM 1427 C GLY A 94 -1.326 -15.332 -1.384 1.00 0.00 C ATOM 1428 O GLY A 94 -2.418 -15.849 -1.148 1.00 0.00 O ATOM 0 H GLY A 94 1.190 -14.705 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -1.599 -14.857 -3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -0.516 -16.204 -3.153 1.00 0.00 H new ATOM 1432 N GLN A 95 -0.554 -14.825 -0.449 1.00 0.00 N ATOM 1433 CA GLN A 95 -0.933 -14.782 0.929 1.00 0.00 C ATOM 1434 C GLN A 95 -0.714 -13.356 1.520 1.00 0.00 C ATOM 1435 O GLN A 95 -0.132 -13.225 2.599 1.00 0.00 O ATOM 1436 CB GLN A 95 -0.116 -15.798 1.706 1.00 0.00 C ATOM 1437 CG GLN A 95 1.398 -15.565 1.686 1.00 0.00 C ATOM 1438 CD GLN A 95 2.150 -16.330 2.763 1.00 0.00 C ATOM 1439 OE1 GLN A 95 1.539 -16.516 3.913 1.00 0.00 O flip ATOM 1440 NE2 GLN A 95 3.301 -16.719 2.572 1.00 0.00 N flip ATOM 0 H GLN A 95 0.366 -14.427 -0.636 1.00 0.00 H new ATOM 0 HA GLN A 95 -1.993 -15.024 1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.455 -15.798 2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.321 -16.790 1.304 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.788 -15.853 0.710 1.00 0.00 H new ATOM 0 HG3 GLN A 95 1.594 -14.500 1.806 1.00 0.00 H new ATOM 0 HE21 GLN A 95 3.750 -16.561 1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 95 3.807 -17.200 3.316 1.00 0.00 H new ATOM 1449 N PRO A 96 -1.187 -12.264 0.823 1.00 0.00 N ATOM 1450 CA PRO A 96 -1.032 -10.887 1.288 1.00 0.00 C ATOM 1451 C PRO A 96 -1.383 -10.705 2.730 1.00 0.00 C ATOM 1452 O PRO A 96 -2.294 -11.374 3.257 1.00 0.00 O ATOM 1453 CB PRO A 96 -2.064 -10.155 0.501 1.00 0.00 C ATOM 1454 CG PRO A 96 -2.072 -10.836 -0.789 1.00 0.00 C ATOM 1455 CD PRO A 96 -1.888 -12.282 -0.469 1.00 0.00 C ATOM 0 HA PRO A 96 0.000 -10.558 1.170 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.041 -10.201 0.983 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -1.811 -9.100 0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -3.010 -10.666 -1.318 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -1.272 -10.470 -1.432 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -2.843 -12.802 -0.399 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -1.303 -12.791 -1.235 1.00 0.00 H new ATOM 1463 N VAL A 97 -0.756 -9.761 3.365 1.00 0.00 N ATOM 1464 CA VAL A 97 -1.019 -9.588 4.717 1.00 0.00 C ATOM 1465 C VAL A 97 -2.086 -8.551 4.815 1.00 0.00 C ATOM 1466 O VAL A 97 -1.835 -7.367 4.580 1.00 0.00 O ATOM 1467 CB VAL A 97 0.227 -9.193 5.510 1.00 0.00 C ATOM 1468 CG1 VAL A 97 -0.065 -9.239 7.001 1.00 0.00 C ATOM 1469 CG2 VAL A 97 1.392 -10.113 5.158 1.00 0.00 C ATOM 0 H VAL A 97 -0.075 -9.121 2.957 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.347 -10.529 5.159 1.00 0.00 H new ATOM 0 HB VAL A 97 0.506 -8.173 5.245 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.829 -8.956 7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.872 -8.545 7.235 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.362 -10.249 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 97 2.272 -9.820 5.730 1.00 0.00 H new ATOM 0 HG22 VAL A 97 1.128 -11.143 5.400 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.609 -10.034 4.093 1.00 0.00 H new ATOM 1479 N THR A 98 -3.287 -9.038 4.982 1.00 0.00 N ATOM 1480 CA THR A 98 -4.442 -8.223 5.136 1.00 0.00 C ATOM 1481 C THR A 98 -4.418 -7.612 6.530 1.00 0.00 C ATOM 1482 O THR A 98 -4.301 -8.313 7.552 1.00 0.00 O ATOM 1483 CB THR A 98 -5.754 -9.015 4.814 1.00 0.00 C ATOM 1484 OG1 THR A 98 -6.897 -8.169 4.867 1.00 0.00 O ATOM 1485 CG2 THR A 98 -5.964 -10.208 5.734 1.00 0.00 C ATOM 0 H THR A 98 -3.484 -10.038 5.014 1.00 0.00 H new ATOM 0 HA THR A 98 -4.430 -7.408 4.412 1.00 0.00 H new ATOM 0 HB THR A 98 -5.630 -9.393 3.799 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.700 -8.691 4.660 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.889 -10.718 5.463 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.126 -10.898 5.633 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.028 -9.864 6.766 1.00 0.00 H new ATOM 1493 N TYR A 99 -4.460 -6.333 6.561 1.00 0.00 N ATOM 1494 CA TYR A 99 -4.230 -5.592 7.726 1.00 0.00 C ATOM 1495 C TYR A 99 -5.203 -4.451 7.838 1.00 0.00 C ATOM 1496 O TYR A 99 -5.803 -4.019 6.842 1.00 0.00 O ATOM 1497 CB TYR A 99 -2.861 -5.003 7.568 1.00 0.00 C ATOM 1498 CG TYR A 99 -1.965 -5.156 8.746 1.00 0.00 C ATOM 1499 CD1 TYR A 99 -1.930 -4.216 9.758 1.00 0.00 C ATOM 1500 CD2 TYR A 99 -1.131 -6.250 8.827 1.00 0.00 C ATOM 1501 CE1 TYR A 99 -1.081 -4.361 10.833 1.00 0.00 C ATOM 1502 CE2 TYR A 99 -0.274 -6.414 9.898 1.00 0.00 C ATOM 1503 CZ TYR A 99 -0.254 -5.461 10.901 1.00 0.00 C ATOM 1504 OH TYR A 99 0.591 -5.612 11.976 1.00 0.00 O ATOM 0 H TYR A 99 -4.663 -5.760 5.742 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.334 -6.227 8.606 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.382 -5.465 6.705 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -2.963 -3.941 7.345 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.578 -3.354 9.705 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.148 -6.991 8.041 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -1.064 -3.618 11.617 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.373 -7.277 9.952 1.00 0.00 H new ATOM 0 HH TYR A 99 1.106 -6.439 11.874 1.00 0.00 H new ATOM 1514 N SER A 100 -5.339 -3.974 9.030 1.00 0.00 N ATOM 1515 CA SER A 100 -6.098 -2.816 9.328 1.00 0.00 C ATOM 1516 C SER A 100 -5.189 -1.580 9.170 1.00 0.00 C ATOM 1517 O SER A 100 -5.445 -0.684 8.354 1.00 0.00 O ATOM 1518 CB SER A 100 -6.566 -2.970 10.762 1.00 0.00 C ATOM 1519 OG SER A 100 -5.473 -3.429 11.572 1.00 0.00 O ATOM 0 H SER A 100 -4.907 -4.399 9.850 1.00 0.00 H new ATOM 0 HA SER A 100 -6.954 -2.692 8.665 1.00 0.00 H new ATOM 0 HB2 SER A 100 -6.938 -2.017 11.139 1.00 0.00 H new ATOM 0 HB3 SER A 100 -7.393 -3.678 10.812 1.00 0.00 H new ATOM 0 HG SER A 100 -5.772 -3.528 12.500 1.00 0.00 H new ATOM 1525 N GLY A 101 -4.117 -1.576 9.934 1.00 0.00 N ATOM 1526 CA GLY A 101 -3.166 -0.506 9.912 1.00 0.00 C ATOM 1527 C GLY A 101 -3.294 0.313 11.161 1.00 0.00 C ATOM 1528 O GLY A 101 -4.352 0.876 11.425 1.00 0.00 O ATOM 0 H GLY A 101 -3.888 -2.324 10.589 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -2.156 -0.907 9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.331 0.122 9.036 1.00 0.00 H new ATOM 1532 N SER A 102 -2.232 0.424 11.911 1.00 0.00 N ATOM 1533 CA SER A 102 -2.261 1.107 13.212 1.00 0.00 C ATOM 1534 C SER A 102 -2.182 2.656 13.086 1.00 0.00 C ATOM 1535 O SER A 102 -1.804 3.341 14.031 1.00 0.00 O ATOM 1536 CB SER A 102 -1.116 0.576 14.070 1.00 0.00 C ATOM 1537 OG SER A 102 -1.131 -0.865 14.099 1.00 0.00 O ATOM 0 H SER A 102 -1.318 0.052 11.655 1.00 0.00 H new ATOM 0 HA SER A 102 -3.220 0.893 13.684 1.00 0.00 H new ATOM 0 HB2 SER A 102 -0.164 0.927 13.673 1.00 0.00 H new ATOM 0 HB3 SER A 102 -1.202 0.967 15.084 1.00 0.00 H new ATOM 0 HG SER A 102 -0.300 -1.209 13.709 1.00 0.00 H new ATOM 1543 N ARG A 103 -2.561 3.186 11.902 1.00 0.00 N ATOM 1544 CA ARG A 103 -2.610 4.649 11.626 1.00 0.00 C ATOM 1545 C ARG A 103 -1.265 5.350 11.794 1.00 0.00 C ATOM 1546 O ARG A 103 -1.203 6.572 11.917 1.00 0.00 O ATOM 1547 CB ARG A 103 -3.675 5.328 12.496 1.00 0.00 C ATOM 1548 CG ARG A 103 -5.103 4.981 12.116 1.00 0.00 C ATOM 1549 CD ARG A 103 -6.088 5.496 13.151 1.00 0.00 C ATOM 1550 NE ARG A 103 -5.940 6.938 13.425 1.00 0.00 N ATOM 1551 CZ ARG A 103 -6.525 7.564 14.457 1.00 0.00 C ATOM 1552 NH1 ARG A 103 -7.356 6.892 15.257 1.00 0.00 N1+ ATOM 1553 NH2 ARG A 103 -6.290 8.855 14.681 1.00 0.00 N ATOM 0 H ARG A 103 -2.843 2.615 11.106 1.00 0.00 H new ATOM 0 HA ARG A 103 -2.878 4.747 10.574 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.510 5.049 13.537 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -3.546 6.408 12.431 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -5.337 5.410 11.142 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.204 3.900 12.020 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -7.103 5.300 12.806 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -5.954 4.940 14.079 1.00 0.00 H new ATOM 0 HE ARG A 103 -5.360 7.490 12.794 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -7.545 5.905 15.083 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -7.802 7.366 16.042 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -5.662 9.373 14.066 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.738 9.326 15.467 1.00 0.00 H new ATOM 1567 N THR A 104 -0.208 4.610 11.708 1.00 0.00 N ATOM 1568 CA THR A 104 1.098 5.159 11.916 1.00 0.00 C ATOM 1569 C THR A 104 2.076 4.611 10.878 1.00 0.00 C ATOM 1570 O THR A 104 1.815 3.571 10.251 1.00 0.00 O ATOM 1571 CB THR A 104 1.596 4.919 13.388 1.00 0.00 C ATOM 1572 OG1 THR A 104 2.912 5.446 13.575 1.00 0.00 O ATOM 1573 CG2 THR A 104 1.592 3.448 13.747 1.00 0.00 C ATOM 0 H THR A 104 -0.221 3.613 11.493 1.00 0.00 H new ATOM 0 HA THR A 104 1.044 6.239 11.781 1.00 0.00 H new ATOM 0 HB THR A 104 0.900 5.440 14.046 1.00 0.00 H new ATOM 0 HG1 THR A 104 3.255 5.166 14.449 1.00 0.00 H new ATOM 0 HG21 THR A 104 1.942 3.323 14.772 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.579 3.055 13.659 1.00 0.00 H new ATOM 0 HG23 THR A 104 2.252 2.906 13.069 1.00 0.00 H new ATOM 1581 N VAL A 105 3.161 5.325 10.682 1.00 0.00 N ATOM 1582 CA VAL A 105 4.196 4.987 9.714 1.00 0.00 C ATOM 1583 C VAL A 105 5.074 3.860 10.251 1.00 0.00 C ATOM 1584 O VAL A 105 5.561 3.027 9.506 1.00 0.00 O ATOM 1585 CB VAL A 105 5.067 6.238 9.412 1.00 0.00 C ATOM 1586 CG1 VAL A 105 6.204 5.908 8.470 1.00 0.00 C ATOM 1587 CG2 VAL A 105 4.214 7.336 8.819 1.00 0.00 C ATOM 0 H VAL A 105 3.359 6.180 11.202 1.00 0.00 H new ATOM 0 HA VAL A 105 3.719 4.652 8.793 1.00 0.00 H new ATOM 0 HB VAL A 105 5.496 6.579 10.354 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.792 6.806 8.281 1.00 0.00 H new ATOM 0 HG12 VAL A 105 6.840 5.146 8.920 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.800 5.534 7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.835 8.207 8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 105 3.761 6.984 7.892 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.430 7.609 9.525 1.00 0.00 H new ATOM 1597 N GLU A 106 5.184 3.819 11.555 1.00 0.00 N ATOM 1598 CA GLU A 106 6.022 2.838 12.298 1.00 0.00 C ATOM 1599 C GLU A 106 5.553 1.449 11.967 1.00 0.00 C ATOM 1600 O GLU A 106 6.319 0.531 11.644 1.00 0.00 O ATOM 1601 CB GLU A 106 5.760 3.034 13.767 1.00 0.00 C ATOM 1602 CG GLU A 106 5.853 4.446 14.208 1.00 0.00 C ATOM 1603 CD GLU A 106 5.439 4.605 15.625 1.00 0.00 C ATOM 1604 OE1 GLU A 106 4.218 4.688 15.874 1.00 0.00 O ATOM 1605 OE2 GLU A 106 6.307 4.620 16.514 1.00 0.00 O1- ATOM 0 H GLU A 106 4.693 4.470 12.167 1.00 0.00 H new ATOM 0 HA GLU A 106 7.073 2.973 12.041 1.00 0.00 H new ATOM 0 HB2 GLU A 106 4.766 2.654 14.003 1.00 0.00 H new ATOM 0 HB3 GLU A 106 6.473 2.438 14.336 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.877 4.799 14.086 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.223 5.068 13.572 1.00 0.00 H new ATOM 1612 N ASP A 107 4.266 1.364 12.018 1.00 0.00 N ATOM 1613 CA ASP A 107 3.483 0.148 11.771 1.00 0.00 C ATOM 1614 C ASP A 107 3.711 -0.312 10.355 1.00 0.00 C ATOM 1615 O ASP A 107 3.854 -1.499 10.072 1.00 0.00 O ATOM 1616 CB ASP A 107 2.002 0.477 12.008 1.00 0.00 C ATOM 1617 CG ASP A 107 1.023 -0.657 11.784 1.00 0.00 C ATOM 1618 OD1 ASP A 107 1.025 -1.624 12.581 1.00 0.00 O1- ATOM 1619 OD2 ASP A 107 0.166 -0.536 10.889 1.00 0.00 O ATOM 0 H ASP A 107 3.680 2.168 12.243 1.00 0.00 H new ATOM 0 HA ASP A 107 3.787 -0.655 12.443 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.889 0.830 13.033 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.725 1.303 11.353 1.00 0.00 H new ATOM 1624 N LEU A 108 3.848 0.653 9.497 1.00 0.00 N ATOM 1625 CA LEU A 108 4.049 0.414 8.103 1.00 0.00 C ATOM 1626 C LEU A 108 5.434 -0.045 7.797 1.00 0.00 C ATOM 1627 O LEU A 108 5.610 -0.955 7.008 1.00 0.00 O ATOM 1628 CB LEU A 108 3.729 1.624 7.307 1.00 0.00 C ATOM 1629 CG LEU A 108 2.258 1.923 7.105 1.00 0.00 C ATOM 1630 CD1 LEU A 108 2.090 3.222 6.342 1.00 0.00 C ATOM 1631 CD2 LEU A 108 1.595 0.776 6.355 1.00 0.00 C ATOM 0 H LEU A 108 3.823 1.641 9.750 1.00 0.00 H new ATOM 0 HA LEU A 108 3.367 -0.390 7.825 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.190 2.485 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.195 1.523 6.327 1.00 0.00 H new ATOM 0 HG LEU A 108 1.779 2.029 8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.029 3.427 6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.546 4.036 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.574 3.138 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.537 0.997 6.213 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.073 0.652 5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.699 -0.144 6.931 1.00 0.00 H new ATOM 1643 N ILE A 109 6.410 0.582 8.400 1.00 0.00 N ATOM 1644 CA ILE A 109 7.786 0.176 8.245 1.00 0.00 C ATOM 1645 C ILE A 109 7.909 -1.302 8.621 1.00 0.00 C ATOM 1646 O ILE A 109 8.284 -2.129 7.795 1.00 0.00 O ATOM 1647 CB ILE A 109 8.659 1.049 9.144 1.00 0.00 C ATOM 1648 CG1 ILE A 109 8.611 2.496 8.653 1.00 0.00 C ATOM 1649 CG2 ILE A 109 10.104 0.539 9.202 1.00 0.00 C ATOM 1650 CD1 ILE A 109 9.098 3.492 9.666 1.00 0.00 C ATOM 0 H ILE A 109 6.276 1.387 9.012 1.00 0.00 H new ATOM 0 HA ILE A 109 8.116 0.300 7.214 1.00 0.00 H new ATOM 0 HB ILE A 109 8.264 1.000 10.159 1.00 0.00 H new ATOM 0 HG12 ILE A 109 9.215 2.584 7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 109 7.586 2.743 8.377 1.00 0.00 H new ATOM 0 HG21 ILE A 109 10.693 1.187 9.851 1.00 0.00 H new ATOM 0 HG22 ILE A 109 10.116 -0.477 9.596 1.00 0.00 H new ATOM 0 HG23 ILE A 109 10.532 0.544 8.200 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.035 4.497 9.248 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.480 3.432 10.562 1.00 0.00 H new ATOM 0 HD13 ILE A 109 10.134 3.271 9.925 1.00 0.00 H new ATOM 1662 N LYS A 110 7.404 -1.647 9.811 1.00 0.00 N ATOM 1663 CA LYS A 110 7.461 -3.010 10.306 1.00 0.00 C ATOM 1664 C LYS A 110 6.636 -3.918 9.481 1.00 0.00 C ATOM 1665 O LYS A 110 6.877 -5.106 9.443 1.00 0.00 O ATOM 1666 CB LYS A 110 7.012 -3.102 11.747 1.00 0.00 C ATOM 1667 CG LYS A 110 8.091 -2.809 12.741 1.00 0.00 C ATOM 1668 CD LYS A 110 9.126 -3.920 12.781 1.00 0.00 C ATOM 1669 CE LYS A 110 10.115 -3.708 13.913 1.00 0.00 C ATOM 1670 NZ LYS A 110 11.132 -4.773 13.954 1.00 0.00 N1+ ATOM 0 H LYS A 110 6.950 -0.990 10.446 1.00 0.00 H new ATOM 0 HA LYS A 110 8.505 -3.318 10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.188 -2.406 11.905 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.624 -4.103 11.932 1.00 0.00 H new ATOM 0 HG2 LYS A 110 8.576 -1.867 12.486 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.652 -2.684 13.731 1.00 0.00 H new ATOM 0 HD2 LYS A 110 8.627 -4.881 12.906 1.00 0.00 H new ATOM 0 HD3 LYS A 110 9.659 -3.958 11.831 1.00 0.00 H new ATOM 0 HE2 LYS A 110 10.605 -2.742 13.792 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.581 -3.678 14.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 11.790 -4.595 14.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 10.666 -5.692 14.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 11.659 -4.785 13.057 1.00 0.00 H new ATOM 1684 N PHE A 111 5.686 -3.364 8.805 1.00 0.00 N ATOM 1685 CA PHE A 111 4.819 -4.120 8.000 1.00 0.00 C ATOM 1686 C PHE A 111 5.614 -4.670 6.866 1.00 0.00 C ATOM 1687 O PHE A 111 5.867 -5.837 6.812 1.00 0.00 O ATOM 1688 CB PHE A 111 3.784 -3.221 7.481 1.00 0.00 C ATOM 1689 CG PHE A 111 2.520 -3.827 6.968 1.00 0.00 C ATOM 1690 CD1 PHE A 111 2.504 -5.072 6.390 1.00 0.00 C ATOM 1691 CD2 PHE A 111 1.343 -3.120 7.046 1.00 0.00 C ATOM 1692 CE1 PHE A 111 1.353 -5.601 5.905 1.00 0.00 C ATOM 1693 CE2 PHE A 111 0.182 -3.642 6.552 1.00 0.00 C ATOM 1694 CZ PHE A 111 0.187 -4.892 5.976 1.00 0.00 C ATOM 0 H PHE A 111 5.497 -2.362 8.803 1.00 0.00 H new ATOM 0 HA PHE A 111 4.357 -4.932 8.562 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.521 -2.522 8.275 1.00 0.00 H new ATOM 0 HB3 PHE A 111 4.225 -2.636 6.674 1.00 0.00 H new ATOM 0 HD1 PHE A 111 3.421 -5.638 6.320 1.00 0.00 H new ATOM 0 HD2 PHE A 111 1.337 -2.141 7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 111 1.358 -6.586 5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.736 -3.077 6.613 1.00 0.00 H new ATOM 0 HZ PHE A 111 -0.727 -5.311 5.582 1.00 0.00 H new ATOM 1704 N ILE A 112 6.128 -3.803 6.045 1.00 0.00 N ATOM 1705 CA ILE A 112 6.859 -4.223 4.861 1.00 0.00 C ATOM 1706 C ILE A 112 8.213 -4.809 5.292 1.00 0.00 C ATOM 1707 O ILE A 112 8.923 -5.428 4.535 1.00 0.00 O ATOM 1708 CB ILE A 112 7.133 -3.032 3.927 1.00 0.00 C ATOM 1709 CG1 ILE A 112 5.916 -2.148 3.821 1.00 0.00 C ATOM 1710 CG2 ILE A 112 7.457 -3.550 2.547 1.00 0.00 C ATOM 1711 CD1 ILE A 112 6.216 -0.700 4.083 1.00 0.00 C ATOM 0 H ILE A 112 6.060 -2.792 6.165 1.00 0.00 H new ATOM 0 HA ILE A 112 6.257 -4.962 4.333 1.00 0.00 H new ATOM 0 HB ILE A 112 7.965 -2.458 4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.486 -2.249 2.824 1.00 0.00 H new ATOM 0 HG13 ILE A 112 5.162 -2.491 4.530 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.652 -2.710 1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 112 8.340 -4.188 2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.613 -4.126 2.167 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.300 -0.116 3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.619 -0.588 5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.947 -0.343 3.358 1.00 0.00 H new ATOM 1723 N ALA A 113 8.515 -4.668 6.525 1.00 0.00 N ATOM 1724 CA ALA A 113 9.820 -5.112 7.006 1.00 0.00 C ATOM 1725 C ALA A 113 9.756 -6.500 7.541 1.00 0.00 C ATOM 1726 O ALA A 113 10.735 -7.220 7.511 1.00 0.00 O ATOM 1727 CB ALA A 113 10.400 -4.185 8.038 1.00 0.00 C ATOM 0 H ALA A 113 7.905 -4.258 7.233 1.00 0.00 H new ATOM 0 HA ALA A 113 10.485 -5.098 6.142 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.370 -4.562 8.361 1.00 0.00 H new ATOM 0 HB2 ALA A 113 10.522 -3.191 7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.729 -4.129 8.895 1.00 0.00 H new ATOM 1733 N GLU A 114 8.621 -6.878 8.044 1.00 0.00 N ATOM 1734 CA GLU A 114 8.465 -8.220 8.567 1.00 0.00 C ATOM 1735 C GLU A 114 7.795 -9.041 7.536 1.00 0.00 C ATOM 1736 O GLU A 114 8.221 -10.137 7.198 1.00 0.00 O ATOM 1737 CB GLU A 114 7.605 -8.169 9.805 1.00 0.00 C ATOM 1738 CG GLU A 114 8.247 -7.423 10.938 1.00 0.00 C ATOM 1739 CD GLU A 114 9.218 -8.267 11.710 1.00 0.00 C ATOM 1740 OE1 GLU A 114 10.384 -8.413 11.281 1.00 0.00 O ATOM 1741 OE2 GLU A 114 8.843 -8.793 12.779 1.00 0.00 O1- ATOM 0 H GLU A 114 7.790 -6.290 8.108 1.00 0.00 H new ATOM 0 HA GLU A 114 9.435 -8.649 8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.654 -7.697 9.560 1.00 0.00 H new ATOM 0 HB3 GLU A 114 7.382 -9.186 10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 114 8.765 -6.548 10.545 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.472 -7.058 11.613 1.00 0.00 H new ATOM 1748 N ASN A 115 6.804 -8.440 6.975 1.00 0.00 N ATOM 1749 CA ASN A 115 5.932 -9.040 6.043 1.00 0.00 C ATOM 1750 C ASN A 115 6.507 -8.937 4.675 1.00 0.00 C ATOM 1751 O ASN A 115 6.277 -9.810 3.808 1.00 0.00 O ATOM 1752 CB ASN A 115 4.628 -8.290 6.110 1.00 0.00 C ATOM 1753 CG ASN A 115 3.899 -8.422 7.432 1.00 0.00 C ATOM 1754 OD1 ASN A 115 3.179 -9.383 7.686 1.00 0.00 O ATOM 1755 ND2 ASN A 115 4.076 -7.436 8.271 1.00 0.00 N ATOM 0 H ASN A 115 6.573 -7.465 7.169 1.00 0.00 H new ATOM 0 HA ASN A 115 5.784 -10.096 6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 115 4.819 -7.234 5.918 1.00 0.00 H new ATOM 0 HB3 ASN A 115 3.976 -8.646 5.312 1.00 0.00 H new ATOM 0 HD21 ASN A 115 3.607 -7.447 9.177 1.00 0.00 H new ATOM 0 HD22 ASN A 115 4.683 -6.656 8.020 1.00 0.00 H new ATOM 1762 N GLY A 116 7.273 -7.883 4.461 1.00 0.00 N ATOM 1763 CA GLY A 116 7.849 -7.691 3.208 1.00 0.00 C ATOM 1764 C GLY A 116 8.982 -8.642 2.990 1.00 0.00 C ATOM 1765 O GLY A 116 9.578 -9.127 3.958 1.00 0.00 O ATOM 0 H GLY A 116 7.491 -7.168 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 116 7.097 -7.832 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.208 -6.665 3.122 1.00 0.00 H new ATOM 1769 N LYS A 117 9.297 -8.927 1.767 1.00 0.00 N ATOM 1770 CA LYS A 117 10.362 -9.864 1.487 1.00 0.00 C ATOM 1771 C LYS A 117 11.612 -9.124 1.272 1.00 0.00 C ATOM 1772 O LYS A 117 12.714 -9.641 1.468 1.00 0.00 O ATOM 1773 CB LYS A 117 10.024 -10.697 0.301 1.00 0.00 C ATOM 1774 CG LYS A 117 8.809 -11.585 0.556 1.00 0.00 C ATOM 1775 CD LYS A 117 9.123 -12.694 1.558 1.00 0.00 C ATOM 1776 CE LYS A 117 7.861 -13.360 2.109 1.00 0.00 C ATOM 1777 NZ LYS A 117 7.168 -12.526 3.149 1.00 0.00 N1+ ATOM 0 H LYS A 117 8.841 -8.533 0.944 1.00 0.00 H new ATOM 0 HA LYS A 117 10.489 -10.535 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 117 9.827 -10.049 -0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 117 10.880 -11.319 0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 117 7.986 -10.977 0.931 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.477 -12.026 -0.384 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.747 -13.447 1.077 1.00 0.00 H new ATOM 0 HD3 LYS A 117 9.702 -12.280 2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 117 7.171 -13.555 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.124 -14.326 2.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.200 -12.880 3.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 7.692 -12.584 4.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 7.132 -11.536 2.832 1.00 0.00 H new ATOM 1791 N TYR A 118 11.445 -7.897 0.910 1.00 0.00 N ATOM 1792 CA TYR A 118 12.518 -7.033 0.748 1.00 0.00 C ATOM 1793 C TYR A 118 12.942 -6.461 2.090 1.00 0.00 C ATOM 1794 O TYR A 118 13.967 -5.772 2.174 1.00 0.00 O ATOM 1795 CB TYR A 118 12.182 -5.943 -0.223 1.00 0.00 C ATOM 1796 CG TYR A 118 12.441 -6.285 -1.664 1.00 0.00 C ATOM 1797 CD1 TYR A 118 13.704 -6.114 -2.212 1.00 0.00 C ATOM 1798 CD2 TYR A 118 11.436 -6.766 -2.479 1.00 0.00 C ATOM 1799 CE1 TYR A 118 13.954 -6.411 -3.528 1.00 0.00 C ATOM 1800 CE2 TYR A 118 11.683 -7.063 -3.801 1.00 0.00 C ATOM 1801 CZ TYR A 118 12.940 -6.886 -4.317 1.00 0.00 C ATOM 1802 OH TYR A 118 13.179 -7.172 -5.642 1.00 0.00 O ATOM 0 H TYR A 118 10.535 -7.478 0.720 1.00 0.00 H new ATOM 0 HA TYR A 118 13.357 -7.595 0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 118 11.129 -5.684 -0.108 1.00 0.00 H new ATOM 0 HB3 TYR A 118 12.758 -5.055 0.035 1.00 0.00 H new ATOM 0 HD1 TYR A 118 14.505 -5.740 -1.591 1.00 0.00 H new ATOM 0 HD2 TYR A 118 10.445 -6.911 -2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 118 14.943 -6.271 -3.939 1.00 0.00 H new ATOM 0 HE2 TYR A 118 10.887 -7.435 -4.430 1.00 0.00 H new ATOM 0 HH TYR A 118 12.450 -6.814 -6.191 1.00 0.00 H new ATOM 1812 N LYS A 119 12.103 -6.714 3.136 1.00 0.00 N ATOM 1813 CA LYS A 119 12.389 -6.368 4.518 1.00 0.00 C ATOM 1814 C LYS A 119 12.782 -4.899 4.627 1.00 0.00 C ATOM 1815 O LYS A 119 13.821 -4.560 5.198 1.00 0.00 O ATOM 1816 CB LYS A 119 13.521 -7.264 5.039 1.00 0.00 C ATOM 1817 CG LYS A 119 13.273 -8.772 4.906 1.00 0.00 C ATOM 1818 CD LYS A 119 12.146 -9.235 5.805 1.00 0.00 C ATOM 1819 CE LYS A 119 11.849 -10.715 5.650 1.00 0.00 C ATOM 1820 NZ LYS A 119 10.773 -11.147 6.574 1.00 0.00 N1+ ATOM 0 H LYS A 119 11.200 -7.172 3.017 1.00 0.00 H new ATOM 0 HA LYS A 119 11.496 -6.526 5.122 1.00 0.00 H new ATOM 0 HB2 LYS A 119 14.437 -7.014 4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 119 13.693 -7.031 6.090 1.00 0.00 H new ATOM 0 HG2 LYS A 119 13.034 -9.012 3.870 1.00 0.00 H new ATOM 0 HG3 LYS A 119 14.185 -9.314 5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 119 12.405 -9.027 6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 119 11.247 -8.662 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 119 11.554 -10.923 4.622 1.00 0.00 H new ATOM 0 HE3 LYS A 119 12.753 -11.292 5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 10.451 -12.100 6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 11.137 -11.162 7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 9.975 -10.483 6.513 1.00 0.00 H new ATOM 1834 N ALA A 120 11.956 -4.039 4.075 1.00 0.00 N ATOM 1835 CA ALA A 120 12.276 -2.627 3.997 1.00 0.00 C ATOM 1836 C ALA A 120 12.135 -1.890 5.318 1.00 0.00 C ATOM 1837 O ALA A 120 11.064 -1.390 5.659 1.00 0.00 O ATOM 1838 CB ALA A 120 11.472 -1.948 2.927 1.00 0.00 C ATOM 0 H ALA A 120 11.054 -4.292 3.671 1.00 0.00 H new ATOM 0 HA ALA A 120 13.333 -2.582 3.735 1.00 0.00 H new ATOM 0 HB1 ALA A 120 11.733 -0.890 2.892 1.00 0.00 H new ATOM 0 HB2 ALA A 120 11.688 -2.408 1.963 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.410 -2.052 3.149 1.00 0.00 H new ATOM 1844 N ALA A 121 13.209 -1.858 6.043 1.00 0.00 N ATOM 1845 CA ALA A 121 13.323 -1.136 7.270 1.00 0.00 C ATOM 1846 C ALA A 121 14.635 -0.399 7.231 1.00 0.00 C ATOM 1847 O ALA A 121 15.696 -1.045 7.376 1.00 0.00 O ATOM 1848 CB ALA A 121 13.270 -2.072 8.466 1.00 0.00 C ATOM 1849 OXT ALA A 121 14.636 0.821 7.008 1.00 0.00 O ATOM 0 H ALA A 121 14.063 -2.353 5.786 1.00 0.00 H new ATOM 0 HA ALA A 121 12.490 -0.441 7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 121 13.359 -1.493 9.385 1.00 0.00 H new ATOM 0 HB2 ALA A 121 12.321 -2.609 8.466 1.00 0.00 H new ATOM 0 HB3 ALA A 121 14.091 -2.786 8.406 1.00 0.00 H new