USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 851 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 CYS SG : rot -120:sc= -0.663 USER MOD Set 1.2: A 39 HIS : no HE2:sc= 0.312 K(o=-0.35,f=-3.1!) USER MOD Set 2.1: A 25 THR OG1 : rot -124:sc= 1.18 USER MOD Set 2.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 17 TYR OH : rot 16:sc= 1.69 USER MOD Set 3.2: A 88 TYR OH : rot 144:sc= 1.33 USER MOD Single : A 10 THR OG1 : rot -160:sc= -0.0512 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.111 F(o=-2.3,f=-0.11) USER MOD Single : A 18 ASN :FLIP amide:sc= -3.07 F(o=-4.5!,f=-3.1) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.629 USER MOD Single : A 40 CYS SG : rot 168:sc= -0.503 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= -1.64! (180deg=-2.07!) USER MOD Single : A 47 TYR OH : rot -136:sc= 0.679 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0682 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -127:sc= 1.22 (180deg=-1.36!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -8.27! C(o=-8.3!,f=-10!) USER MOD Single : A 84 THR OG1 : rot -16:sc= 0.774 USER MOD Single : A 86 LYS NZ :NH3+ -113:sc= 1.24 (180deg=-0.738) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 0.237 (180deg=0.0972) USER MOD Single : A 95 GLN : amide:sc= -1.31 K(o=-1.3,f=-3.3!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 6:sc= 0.485 USER MOD Single : A 104 THR OG1 : rot -132:sc= -3.44! USER MOD Single : A 110 LYS NZ :NH3+ 152:sc= 1.03 (180deg=-0.435!) USER MOD Single : A 115 ASN : amide:sc= -14.4! C(o=-14!,f=-21!) USER MOD Single : A 117 LYS NZ :NH3+ 172:sc= -0.466 (180deg=-0.594) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 8 -0.997 8.870 -7.237 1.00 14.24 N ATOM 84 CA PRO A 8 -1.129 7.555 -7.865 1.00 15.51 C ATOM 85 C PRO A 8 -1.746 6.522 -6.929 1.00 72.52 C ATOM 86 O PRO A 8 -2.782 5.933 -7.239 1.00 41.40 O ATOM 87 CB PRO A 8 0.309 7.174 -8.212 1.00 3.35 C ATOM 88 CG PRO A 8 1.158 7.934 -7.253 1.00 63.20 C ATOM 89 CD PRO A 8 0.408 9.198 -6.924 1.00 34.42 C ATOM 0 HA PRO A 8 -1.793 7.585 -8.729 1.00 15.51 H new ATOM 0 HB2 PRO A 8 0.467 6.100 -8.112 1.00 3.35 H new ATOM 0 HB3 PRO A 8 0.548 7.436 -9.243 1.00 3.35 H new ATOM 0 HG2 PRO A 8 1.345 7.349 -6.353 1.00 63.20 H new ATOM 0 HG3 PRO A 8 2.129 8.163 -7.692 1.00 63.20 H new ATOM 0 HD2 PRO A 8 0.530 9.474 -5.876 1.00 34.42 H new ATOM 0 HD3 PRO A 8 0.764 10.040 -7.518 1.00 34.42 H new ATOM 97 N VAL A 9 -1.105 6.300 -5.786 1.00 44.12 N ATOM 98 CA VAL A 9 -1.582 5.346 -4.820 1.00 62.33 C ATOM 99 C VAL A 9 -2.954 5.749 -4.284 1.00 22.23 C ATOM 100 O VAL A 9 -3.538 6.738 -4.725 1.00 54.03 O ATOM 101 CB VAL A 9 -0.576 5.198 -3.658 1.00 64.01 C ATOM 102 CG1 VAL A 9 0.858 5.328 -4.144 1.00 13.52 C ATOM 103 CG2 VAL A 9 -0.853 6.189 -2.534 1.00 42.03 C ATOM 0 H VAL A 9 -0.246 6.779 -5.514 1.00 44.12 H new ATOM 0 HA VAL A 9 -1.680 4.383 -5.321 1.00 62.33 H new ATOM 0 HB VAL A 9 -0.709 4.194 -3.254 1.00 64.01 H new ATOM 0 HG11 VAL A 9 1.539 5.219 -3.300 1.00 13.52 H new ATOM 0 HG12 VAL A 9 1.065 4.551 -4.880 1.00 13.52 H new ATOM 0 HG13 VAL A 9 1.000 6.308 -4.601 1.00 13.52 H new ATOM 0 HG21 VAL A 9 -0.122 6.050 -1.738 1.00 42.03 H new ATOM 0 HG22 VAL A 9 -0.780 7.206 -2.919 1.00 42.03 H new ATOM 0 HG23 VAL A 9 -1.855 6.021 -2.140 1.00 42.03 H new ATOM 113 N THR A 10 -3.458 4.979 -3.330 1.00 5.01 N ATOM 114 CA THR A 10 -4.753 5.253 -2.730 1.00 75.12 C ATOM 115 C THR A 10 -4.607 5.532 -1.240 1.00 31.32 C ATOM 116 O THR A 10 -4.786 4.639 -0.410 1.00 72.42 O ATOM 117 CB THR A 10 -5.702 4.075 -2.951 1.00 63.14 C ATOM 118 OG1 THR A 10 -5.743 3.714 -4.321 1.00 31.52 O ATOM 119 CG2 THR A 10 -7.121 4.358 -2.509 1.00 13.33 C ATOM 0 H THR A 10 -2.986 4.156 -2.955 1.00 5.01 H new ATOM 0 HA THR A 10 -5.171 6.138 -3.210 1.00 75.12 H new ATOM 0 HB THR A 10 -5.303 3.265 -2.340 1.00 63.14 H new ATOM 0 HG1 THR A 10 -6.557 3.199 -4.499 1.00 31.52 H new ATOM 0 HG21 THR A 10 -7.741 3.481 -2.694 1.00 13.33 H new ATOM 0 HG22 THR A 10 -7.131 4.591 -1.444 1.00 13.33 H new ATOM 0 HG23 THR A 10 -7.515 5.206 -3.070 1.00 13.33 H new ATOM 127 N VAL A 11 -4.285 6.776 -0.904 1.00 71.41 N ATOM 128 CA VAL A 11 -4.125 7.168 0.488 1.00 3.10 C ATOM 129 C VAL A 11 -5.443 7.010 1.231 1.00 13.32 C ATOM 130 O VAL A 11 -6.213 7.961 1.364 1.00 52.32 O ATOM 131 CB VAL A 11 -3.642 8.623 0.616 1.00 61.10 C ATOM 132 CG1 VAL A 11 -3.327 8.960 2.066 1.00 2.44 C ATOM 133 CG2 VAL A 11 -2.429 8.864 -0.271 1.00 12.43 C ATOM 0 H VAL A 11 -4.130 7.528 -1.576 1.00 71.41 H new ATOM 0 HA VAL A 11 -3.370 6.516 0.927 1.00 3.10 H new ATOM 0 HB VAL A 11 -4.444 9.281 0.282 1.00 61.10 H new ATOM 0 HG11 VAL A 11 -2.987 9.993 2.134 1.00 2.44 H new ATOM 0 HG12 VAL A 11 -4.224 8.832 2.672 1.00 2.44 H new ATOM 0 HG13 VAL A 11 -2.544 8.296 2.432 1.00 2.44 H new ATOM 0 HG21 VAL A 11 -2.102 9.899 -0.167 1.00 12.43 H new ATOM 0 HG22 VAL A 11 -1.621 8.196 0.028 1.00 12.43 H new ATOM 0 HG23 VAL A 11 -2.694 8.670 -1.310 1.00 12.43 H new ATOM 143 N VAL A 12 -5.700 5.797 1.699 1.00 12.21 N ATOM 144 CA VAL A 12 -6.929 5.498 2.415 1.00 51.53 C ATOM 145 C VAL A 12 -6.714 5.556 3.916 1.00 64.22 C ATOM 146 O VAL A 12 -5.799 4.928 4.448 1.00 52.11 O ATOM 147 CB VAL A 12 -7.460 4.103 2.040 1.00 72.12 C ATOM 148 CG1 VAL A 12 -8.874 3.913 2.561 1.00 64.02 C ATOM 149 CG2 VAL A 12 -7.402 3.895 0.532 1.00 65.23 C ATOM 0 H VAL A 12 -5.070 5.002 1.594 1.00 12.21 H new ATOM 0 HA VAL A 12 -7.661 6.253 2.127 1.00 51.53 H new ATOM 0 HB VAL A 12 -6.823 3.353 2.509 1.00 72.12 H new ATOM 0 HG11 VAL A 12 -9.233 2.921 2.286 1.00 64.02 H new ATOM 0 HG12 VAL A 12 -8.878 4.013 3.646 1.00 64.02 H new ATOM 0 HG13 VAL A 12 -9.527 4.669 2.125 1.00 64.02 H new ATOM 0 HG21 VAL A 12 -7.782 2.903 0.287 1.00 65.23 H new ATOM 0 HG22 VAL A 12 -8.013 4.650 0.037 1.00 65.23 H new ATOM 0 HG23 VAL A 12 -6.370 3.983 0.192 1.00 65.23 H new ATOM 159 N VAL A 13 -7.569 6.302 4.597 1.00 73.01 N ATOM 160 CA VAL A 13 -7.476 6.424 6.043 1.00 12.41 C ATOM 161 C VAL A 13 -8.176 5.249 6.706 1.00 65.31 C ATOM 162 O VAL A 13 -8.854 4.472 6.039 1.00 22.01 O ATOM 163 CB VAL A 13 -8.085 7.746 6.561 1.00 70.44 C ATOM 164 CG1 VAL A 13 -7.058 8.866 6.496 1.00 61.55 C ATOM 165 CG2 VAL A 13 -9.336 8.119 5.780 1.00 24.13 C ATOM 0 H VAL A 13 -8.332 6.830 4.174 1.00 73.01 H new ATOM 0 HA VAL A 13 -6.417 6.425 6.300 1.00 12.41 H new ATOM 0 HB VAL A 13 -8.373 7.599 7.602 1.00 70.44 H new ATOM 0 HG11 VAL A 13 -7.504 9.790 6.865 1.00 61.55 H new ATOM 0 HG12 VAL A 13 -6.197 8.607 7.113 1.00 61.55 H new ATOM 0 HG13 VAL A 13 -6.736 9.005 5.464 1.00 61.55 H new ATOM 0 HG21 VAL A 13 -9.742 9.054 6.168 1.00 24.13 H new ATOM 0 HG22 VAL A 13 -9.084 8.242 4.727 1.00 24.13 H new ATOM 0 HG23 VAL A 13 -10.080 7.329 5.885 1.00 24.13 H new ATOM 175 N ALA A 14 -8.019 5.121 8.015 1.00 50.31 N ATOM 176 CA ALA A 14 -8.652 4.032 8.748 1.00 20.23 C ATOM 177 C ALA A 14 -10.156 4.047 8.519 1.00 61.22 C ATOM 178 O ALA A 14 -10.837 3.032 8.666 1.00 75.33 O ATOM 179 CB ALA A 14 -8.335 4.143 10.229 1.00 3.45 C ATOM 0 H ALA A 14 -7.462 5.753 8.590 1.00 50.31 H new ATOM 0 HA ALA A 14 -8.258 3.084 8.381 1.00 20.23 H new ATOM 0 HB1 ALA A 14 -8.813 3.324 10.766 1.00 3.45 H new ATOM 0 HB2 ALA A 14 -7.256 4.091 10.375 1.00 3.45 H new ATOM 0 HB3 ALA A 14 -8.708 5.094 10.611 1.00 3.45 H new ATOM 185 N LYS A 15 -10.657 5.216 8.150 1.00 73.33 N ATOM 186 CA LYS A 15 -12.063 5.413 7.882 1.00 2.31 C ATOM 187 C LYS A 15 -12.531 4.539 6.723 1.00 0.43 C ATOM 188 O LYS A 15 -13.665 4.059 6.715 1.00 73.50 O ATOM 189 CB LYS A 15 -12.303 6.880 7.541 1.00 53.11 C ATOM 190 CG LYS A 15 -11.511 7.849 8.401 1.00 42.31 C ATOM 191 CD LYS A 15 -12.310 9.105 8.708 1.00 3.33 C ATOM 192 CE LYS A 15 -11.972 9.658 10.083 1.00 2.15 C ATOM 193 NZ LYS A 15 -12.924 10.723 10.503 1.00 24.30 N ATOM 0 H LYS A 15 -10.091 6.056 8.029 1.00 73.33 H new ATOM 0 HA LYS A 15 -12.629 5.132 8.770 1.00 2.31 H new ATOM 0 HB2 LYS A 15 -12.048 7.046 6.494 1.00 53.11 H new ATOM 0 HB3 LYS A 15 -13.365 7.099 7.649 1.00 53.11 H new ATOM 0 HG2 LYS A 15 -11.227 7.361 9.333 1.00 42.31 H new ATOM 0 HG3 LYS A 15 -10.588 8.120 7.889 1.00 42.31 H new ATOM 0 HD2 LYS A 15 -12.106 9.862 7.950 1.00 3.33 H new ATOM 0 HD3 LYS A 15 -13.376 8.881 8.656 1.00 3.33 H new ATOM 0 HE2 LYS A 15 -11.987 8.849 10.813 1.00 2.15 H new ATOM 0 HE3 LYS A 15 -10.959 10.060 10.074 1.00 2.15 H new ATOM 0 HZ1 LYS A 15 -12.659 11.074 11.446 1.00 24.30 H new ATOM 0 HZ2 LYS A 15 -12.891 11.507 9.820 1.00 24.30 H new ATOM 0 HZ3 LYS A 15 -13.888 10.333 10.537 1.00 24.30 H new ATOM 207 N ASN A 16 -11.662 4.357 5.732 1.00 62.45 N ATOM 208 CA ASN A 16 -12.010 3.562 4.557 1.00 24.10 C ATOM 209 C ASN A 16 -10.996 2.459 4.271 1.00 13.24 C ATOM 210 O ASN A 16 -11.213 1.638 3.390 1.00 70.35 O ATOM 211 CB ASN A 16 -12.137 4.454 3.320 1.00 75.23 C ATOM 212 CG ASN A 16 -12.073 5.925 3.631 1.00 52.33 C ATOM 213 OD1 ASN A 16 -10.864 6.425 3.730 1.00 74.31 O flip ATOM 214 ND2 ASN A 16 -13.094 6.596 3.778 1.00 72.22 N flip ATOM 0 H ASN A 16 -10.719 4.746 5.718 1.00 62.45 H new ATOM 0 HA ASN A 16 -12.967 3.091 4.780 1.00 24.10 H new ATOM 0 HB2 ASN A 16 -11.341 4.204 2.619 1.00 75.23 H new ATOM 0 HB3 ASN A 16 -13.081 4.237 2.821 1.00 75.23 H new ATOM 0 HD21 ASN A 16 -14.010 6.156 3.690 1.00 72.22 H new ATOM 0 HD22 ASN A 16 -13.024 7.592 3.988 1.00 72.22 H new ATOM 221 N TYR A 17 -9.890 2.445 4.994 1.00 73.13 N ATOM 222 CA TYR A 17 -8.859 1.448 4.791 1.00 31.51 C ATOM 223 C TYR A 17 -9.411 0.018 4.845 1.00 30.21 C ATOM 224 O TYR A 17 -8.808 -0.905 4.301 1.00 22.14 O ATOM 225 CB TYR A 17 -7.773 1.653 5.836 1.00 10.24 C ATOM 226 CG TYR A 17 -7.382 0.401 6.580 1.00 54.51 C ATOM 227 CD1 TYR A 17 -6.672 -0.607 5.952 1.00 60.52 C ATOM 228 CD2 TYR A 17 -7.734 0.230 7.909 1.00 41.43 C ATOM 229 CE1 TYR A 17 -6.317 -1.755 6.626 1.00 61.12 C ATOM 230 CE2 TYR A 17 -7.384 -0.914 8.596 1.00 53.20 C ATOM 231 CZ TYR A 17 -6.674 -1.904 7.952 1.00 1.23 C ATOM 232 OH TYR A 17 -6.324 -3.044 8.634 1.00 64.43 O ATOM 0 H TYR A 17 -9.684 3.119 5.732 1.00 73.13 H new ATOM 0 HA TYR A 17 -8.444 1.575 3.791 1.00 31.51 H new ATOM 0 HB2 TYR A 17 -6.889 2.063 5.348 1.00 10.24 H new ATOM 0 HB3 TYR A 17 -8.114 2.398 6.556 1.00 10.24 H new ATOM 0 HD1 TYR A 17 -6.391 -0.492 4.916 1.00 60.52 H new ATOM 0 HD2 TYR A 17 -8.291 1.004 8.415 1.00 41.43 H new ATOM 0 HE1 TYR A 17 -5.763 -2.533 6.121 1.00 61.12 H new ATOM 0 HE2 TYR A 17 -7.665 -1.033 9.632 1.00 53.20 H new ATOM 0 HH TYR A 17 -5.627 -3.521 8.137 1.00 64.43 H new ATOM 242 N ASN A 18 -10.565 -0.158 5.478 1.00 10.22 N ATOM 243 CA ASN A 18 -11.188 -1.473 5.565 1.00 34.50 C ATOM 244 C ASN A 18 -12.207 -1.613 4.449 1.00 51.55 C ATOM 245 O ASN A 18 -12.858 -2.645 4.292 1.00 73.34 O ATOM 246 CB ASN A 18 -11.872 -1.655 6.923 1.00 33.25 C ATOM 247 CG ASN A 18 -11.027 -2.454 7.893 1.00 43.31 C ATOM 248 OD1 ASN A 18 -9.723 -2.215 7.872 1.00 72.43 O flip ATOM 249 ND2 ASN A 18 -11.541 -3.274 8.653 1.00 21.11 N flip ATOM 0 H ASN A 18 -11.086 0.589 5.936 1.00 10.22 H new ATOM 0 HA ASN A 18 -10.421 -2.241 5.463 1.00 34.50 H new ATOM 0 HB2 ASN A 18 -12.086 -0.676 7.353 1.00 33.25 H new ATOM 0 HB3 ASN A 18 -12.829 -2.157 6.780 1.00 33.25 H new ATOM 0 HD21 ASN A 18 -12.550 -3.425 8.634 1.00 21.11 H new ATOM 0 HD22 ASN A 18 -10.958 -3.803 9.302 1.00 21.11 H new ATOM 256 N GLU A 19 -12.347 -0.531 3.702 1.00 74.43 N ATOM 257 CA GLU A 19 -13.281 -0.441 2.615 1.00 71.35 C ATOM 258 C GLU A 19 -12.568 -0.400 1.264 1.00 43.22 C ATOM 259 O GLU A 19 -13.135 -0.776 0.238 1.00 73.12 O ATOM 260 CB GLU A 19 -14.078 0.837 2.824 1.00 22.30 C ATOM 261 CG GLU A 19 -15.573 0.639 2.768 1.00 32.11 C ATOM 262 CD GLU A 19 -16.228 1.396 1.629 1.00 63.10 C ATOM 263 OE1 GLU A 19 -15.528 1.705 0.642 1.00 3.41 O ATOM 264 OE2 GLU A 19 -17.440 1.681 1.725 1.00 13.41 O ATOM 0 H GLU A 19 -11.801 0.319 3.844 1.00 74.43 H new ATOM 0 HA GLU A 19 -13.928 -1.318 2.604 1.00 71.35 H new ATOM 0 HB2 GLU A 19 -13.814 1.265 3.791 1.00 22.30 H new ATOM 0 HB3 GLU A 19 -13.788 1.563 2.064 1.00 22.30 H new ATOM 0 HG2 GLU A 19 -15.790 -0.424 2.663 1.00 32.11 H new ATOM 0 HG3 GLU A 19 -16.012 0.962 3.712 1.00 32.11 H new ATOM 271 N ILE A 20 -11.333 0.095 1.270 1.00 42.00 N ATOM 272 CA ILE A 20 -10.553 0.230 0.046 1.00 52.51 C ATOM 273 C ILE A 20 -9.343 -0.697 0.012 1.00 35.23 C ATOM 274 O ILE A 20 -9.088 -1.356 -0.996 1.00 61.03 O ATOM 275 CB ILE A 20 -10.054 1.673 -0.123 1.00 24.15 C ATOM 276 CG1 ILE A 20 -11.059 2.662 0.491 1.00 54.14 C ATOM 277 CG2 ILE A 20 -9.802 1.964 -1.593 1.00 31.52 C ATOM 278 CD1 ILE A 20 -11.020 4.051 -0.106 1.00 65.13 C ATOM 0 H ILE A 20 -10.851 0.410 2.112 1.00 42.00 H new ATOM 0 HA ILE A 20 -11.224 -0.045 -0.768 1.00 52.51 H new ATOM 0 HB ILE A 20 -9.110 1.795 0.409 1.00 24.15 H new ATOM 0 HG12 ILE A 20 -12.065 2.258 0.373 1.00 54.14 H new ATOM 0 HG13 ILE A 20 -10.869 2.735 1.562 1.00 54.14 H new ATOM 0 HG21 ILE A 20 -9.448 2.989 -1.706 1.00 31.52 H new ATOM 0 HG22 ILE A 20 -9.048 1.276 -1.976 1.00 31.52 H new ATOM 0 HG23 ILE A 20 -10.728 1.836 -2.153 1.00 31.52 H new ATOM 0 HD11 ILE A 20 -11.761 4.680 0.387 1.00 65.13 H new ATOM 0 HD12 ILE A 20 -10.028 4.480 0.036 1.00 65.13 H new ATOM 0 HD13 ILE A 20 -11.243 3.995 -1.172 1.00 65.13 H new ATOM 290 N VAL A 21 -8.595 -0.746 1.109 1.00 13.15 N ATOM 291 CA VAL A 21 -7.415 -1.594 1.178 1.00 74.31 C ATOM 292 C VAL A 21 -7.811 -3.009 1.528 1.00 32.11 C ATOM 293 O VAL A 21 -7.105 -3.970 1.227 1.00 30.43 O ATOM 294 CB VAL A 21 -6.419 -1.089 2.237 1.00 21.11 C ATOM 295 CG1 VAL A 21 -5.185 -1.979 2.288 1.00 12.14 C ATOM 296 CG2 VAL A 21 -6.036 0.357 1.969 1.00 4.12 C ATOM 0 H VAL A 21 -8.785 -0.211 1.957 1.00 13.15 H new ATOM 0 HA VAL A 21 -6.937 -1.565 0.199 1.00 74.31 H new ATOM 0 HB VAL A 21 -6.906 -1.134 3.211 1.00 21.11 H new ATOM 0 HG11 VAL A 21 -4.496 -1.602 3.044 1.00 12.14 H new ATOM 0 HG12 VAL A 21 -5.481 -2.997 2.542 1.00 12.14 H new ATOM 0 HG13 VAL A 21 -4.694 -1.976 1.315 1.00 12.14 H new ATOM 0 HG21 VAL A 21 -5.331 0.694 2.729 1.00 4.12 H new ATOM 0 HG22 VAL A 21 -5.573 0.434 0.985 1.00 4.12 H new ATOM 0 HG23 VAL A 21 -6.929 0.982 2.000 1.00 4.12 H new ATOM 306 N LEU A 22 -8.948 -3.121 2.177 1.00 62.02 N ATOM 307 CA LEU A 22 -9.458 -4.400 2.598 1.00 15.22 C ATOM 308 C LEU A 22 -10.495 -4.921 1.616 1.00 41.35 C ATOM 309 O LEU A 22 -11.306 -5.787 1.946 1.00 65.21 O ATOM 310 CB LEU A 22 -10.042 -4.244 3.987 1.00 73.24 C ATOM 311 CG LEU A 22 -9.981 -5.498 4.854 1.00 62.35 C ATOM 312 CD1 LEU A 22 -9.461 -5.160 6.241 1.00 60.20 C ATOM 313 CD2 LEU A 22 -11.345 -6.164 4.933 1.00 13.10 C ATOM 0 H LEU A 22 -9.541 -2.329 2.426 1.00 62.02 H new ATOM 0 HA LEU A 22 -8.652 -5.133 2.622 1.00 15.22 H new ATOM 0 HB2 LEU A 22 -9.514 -3.440 4.499 1.00 73.24 H new ATOM 0 HB3 LEU A 22 -11.083 -3.934 3.895 1.00 73.24 H new ATOM 0 HG LEU A 22 -9.289 -6.203 4.393 1.00 62.35 H new ATOM 0 HD11 LEU A 22 -9.424 -6.066 6.846 1.00 60.20 H new ATOM 0 HD12 LEU A 22 -8.460 -4.736 6.161 1.00 60.20 H new ATOM 0 HD13 LEU A 22 -10.125 -4.436 6.712 1.00 60.20 H new ATOM 0 HD21 LEU A 22 -11.279 -7.056 5.556 1.00 13.10 H new ATOM 0 HD22 LEU A 22 -12.064 -5.470 5.368 1.00 13.10 H new ATOM 0 HD23 LEU A 22 -11.672 -6.444 3.932 1.00 13.10 H new ATOM 325 N ASP A 23 -10.451 -4.391 0.402 1.00 73.33 N ATOM 326 CA ASP A 23 -11.375 -4.802 -0.644 1.00 10.24 C ATOM 327 C ASP A 23 -10.952 -6.148 -1.227 1.00 65.21 C ATOM 328 O ASP A 23 -9.763 -6.462 -1.281 1.00 42.23 O ATOM 329 CB ASP A 23 -11.434 -3.746 -1.750 1.00 34.23 C ATOM 330 CG ASP A 23 -12.774 -3.726 -2.459 1.00 41.32 C ATOM 331 OD1 ASP A 23 -13.762 -4.220 -1.876 1.00 23.33 O ATOM 332 OD2 ASP A 23 -12.835 -3.216 -3.598 1.00 43.53 O ATOM 0 H ASP A 23 -9.784 -3.674 0.117 1.00 73.33 H new ATOM 0 HA ASP A 23 -12.368 -4.905 -0.206 1.00 10.24 H new ATOM 0 HB2 ASP A 23 -11.238 -2.763 -1.321 1.00 34.23 H new ATOM 0 HB3 ASP A 23 -10.645 -3.940 -2.476 1.00 34.23 H new ATOM 337 N ASP A 24 -11.926 -6.941 -1.657 1.00 43.30 N ATOM 338 CA ASP A 24 -11.642 -8.253 -2.230 1.00 4.41 C ATOM 339 C ASP A 24 -11.745 -8.223 -3.752 1.00 13.13 C ATOM 340 O ASP A 24 -11.961 -9.254 -4.388 1.00 73.32 O ATOM 341 CB ASP A 24 -12.599 -9.305 -1.664 1.00 72.31 C ATOM 342 CG ASP A 24 -12.857 -9.122 -0.181 1.00 44.42 C ATOM 343 OD1 ASP A 24 -12.046 -8.443 0.483 1.00 4.20 O ATOM 344 OD2 ASP A 24 -13.871 -9.657 0.316 1.00 54.41 O ATOM 0 H ASP A 24 -12.917 -6.701 -1.621 1.00 43.30 H new ATOM 0 HA ASP A 24 -10.620 -8.519 -1.959 1.00 4.41 H new ATOM 0 HB2 ASP A 24 -13.546 -9.257 -2.202 1.00 72.31 H new ATOM 0 HB3 ASP A 24 -12.185 -10.298 -1.837 1.00 72.31 H new ATOM 349 N THR A 25 -11.587 -7.037 -4.331 1.00 53.34 N ATOM 350 CA THR A 25 -11.661 -6.879 -5.779 1.00 13.33 C ATOM 351 C THR A 25 -10.266 -6.884 -6.397 1.00 21.11 C ATOM 352 O THR A 25 -10.091 -7.264 -7.554 1.00 50.55 O ATOM 353 CB THR A 25 -12.385 -5.580 -6.136 1.00 15.52 C ATOM 354 OG1 THR A 25 -11.761 -4.470 -5.514 1.00 52.32 O ATOM 355 CG2 THR A 25 -13.842 -5.576 -5.729 1.00 12.41 C ATOM 0 H THR A 25 -11.407 -6.172 -3.820 1.00 53.34 H new ATOM 0 HA THR A 25 -12.222 -7.721 -6.184 1.00 13.33 H new ATOM 0 HB THR A 25 -12.328 -5.507 -7.222 1.00 15.52 H new ATOM 0 HG1 THR A 25 -12.420 -3.984 -4.975 1.00 52.32 H new ATOM 0 HG21 THR A 25 -14.296 -4.626 -6.011 1.00 12.41 H new ATOM 0 HG22 THR A 25 -14.363 -6.391 -6.232 1.00 12.41 H new ATOM 0 HG23 THR A 25 -13.919 -5.708 -4.650 1.00 12.41 H new ATOM 363 N LYS A 26 -9.276 -6.460 -5.617 1.00 64.34 N ATOM 364 CA LYS A 26 -7.896 -6.415 -6.088 1.00 52.34 C ATOM 365 C LYS A 26 -6.918 -6.458 -4.918 1.00 41.14 C ATOM 366 O LYS A 26 -7.302 -6.246 -3.767 1.00 70.12 O ATOM 367 CB LYS A 26 -7.659 -5.150 -6.915 1.00 43.41 C ATOM 368 CG LYS A 26 -8.235 -5.222 -8.320 1.00 45.11 C ATOM 369 CD LYS A 26 -9.567 -4.495 -8.416 1.00 24.03 C ATOM 370 CE LYS A 26 -9.373 -3.000 -8.613 1.00 22.42 C ATOM 371 NZ LYS A 26 -10.378 -2.205 -7.856 1.00 4.32 N ATOM 0 H LYS A 26 -9.404 -6.143 -4.656 1.00 64.34 H new ATOM 0 HA LYS A 26 -7.725 -7.291 -6.714 1.00 52.34 H new ATOM 0 HB2 LYS A 26 -8.098 -4.299 -6.395 1.00 43.41 H new ATOM 0 HB3 LYS A 26 -6.587 -4.965 -6.980 1.00 43.41 H new ATOM 0 HG2 LYS A 26 -7.529 -4.785 -9.026 1.00 45.11 H new ATOM 0 HG3 LYS A 26 -8.368 -6.265 -8.607 1.00 45.11 H new ATOM 0 HD2 LYS A 26 -10.145 -4.900 -9.246 1.00 24.03 H new ATOM 0 HD3 LYS A 26 -10.145 -4.672 -7.509 1.00 24.03 H new ATOM 0 HE2 LYS A 26 -8.370 -2.719 -8.291 1.00 22.42 H new ATOM 0 HE3 LYS A 26 -9.446 -2.761 -9.674 1.00 22.42 H new ATOM 0 HZ1 LYS A 26 -10.211 -1.191 -8.017 1.00 4.32 H new ATOM 0 HZ2 LYS A 26 -11.334 -2.455 -8.181 1.00 4.32 H new ATOM 0 HZ3 LYS A 26 -10.292 -2.413 -6.841 1.00 4.32 H new ATOM 385 N ASP A 27 -5.652 -6.724 -5.221 1.00 24.42 N ATOM 386 CA ASP A 27 -4.617 -6.783 -4.199 1.00 22.11 C ATOM 387 C ASP A 27 -4.226 -5.374 -3.775 1.00 12.42 C ATOM 388 O ASP A 27 -3.836 -4.556 -4.608 1.00 4.03 O ATOM 389 CB ASP A 27 -3.392 -7.532 -4.731 1.00 1.12 C ATOM 390 CG ASP A 27 -2.889 -8.584 -3.765 1.00 23.20 C ATOM 391 OD1 ASP A 27 -2.409 -8.209 -2.675 1.00 44.20 O ATOM 392 OD2 ASP A 27 -2.976 -9.785 -4.097 1.00 61.20 O ATOM 0 H ASP A 27 -5.319 -6.902 -6.168 1.00 24.42 H new ATOM 0 HA ASP A 27 -5.006 -7.319 -3.333 1.00 22.11 H new ATOM 0 HB2 ASP A 27 -3.644 -8.006 -5.680 1.00 1.12 H new ATOM 0 HB3 ASP A 27 -2.594 -6.818 -4.933 1.00 1.12 H new ATOM 397 N VAL A 28 -4.345 -5.081 -2.486 1.00 13.21 N ATOM 398 CA VAL A 28 -4.011 -3.752 -1.991 1.00 73.13 C ATOM 399 C VAL A 28 -2.822 -3.774 -1.037 1.00 22.42 C ATOM 400 O VAL A 28 -2.752 -4.594 -0.121 1.00 22.43 O ATOM 401 CB VAL A 28 -5.208 -3.089 -1.288 1.00 31.52 C ATOM 402 CG1 VAL A 28 -4.954 -1.602 -1.099 1.00 22.12 C ATOM 403 CG2 VAL A 28 -6.487 -3.317 -2.080 1.00 74.34 C ATOM 0 H VAL A 28 -4.666 -5.736 -1.773 1.00 13.21 H new ATOM 0 HA VAL A 28 -3.742 -3.166 -2.870 1.00 73.13 H new ATOM 0 HB VAL A 28 -5.328 -3.546 -0.306 1.00 31.52 H new ATOM 0 HG11 VAL A 28 -5.810 -1.147 -0.600 1.00 22.12 H new ATOM 0 HG12 VAL A 28 -4.061 -1.460 -0.490 1.00 22.12 H new ATOM 0 HG13 VAL A 28 -4.808 -1.131 -2.071 1.00 22.12 H new ATOM 0 HG21 VAL A 28 -7.322 -2.841 -1.567 1.00 74.34 H new ATOM 0 HG22 VAL A 28 -6.380 -2.887 -3.076 1.00 74.34 H new ATOM 0 HG23 VAL A 28 -6.676 -4.387 -2.165 1.00 74.34 H new ATOM 413 N LEU A 29 -1.898 -2.849 -1.265 1.00 22.35 N ATOM 414 CA LEU A 29 -0.701 -2.716 -0.445 1.00 32.45 C ATOM 415 C LEU A 29 -0.817 -1.486 0.439 1.00 41.43 C ATOM 416 O LEU A 29 -0.637 -0.365 -0.032 1.00 13.44 O ATOM 417 CB LEU A 29 0.529 -2.578 -1.346 1.00 2.32 C ATOM 418 CG LEU A 29 1.830 -3.159 -0.785 1.00 24.12 C ATOM 419 CD1 LEU A 29 2.151 -2.543 0.565 1.00 50.44 C ATOM 420 CD2 LEU A 29 1.740 -4.671 -0.674 1.00 4.34 C ATOM 0 H LEU A 29 -1.958 -2.170 -2.024 1.00 22.35 H new ATOM 0 HA LEU A 29 -0.597 -3.603 0.180 1.00 32.45 H new ATOM 0 HB2 LEU A 29 0.316 -3.064 -2.298 1.00 2.32 H new ATOM 0 HB3 LEU A 29 0.686 -1.520 -1.557 1.00 2.32 H new ATOM 0 HG LEU A 29 2.638 -2.915 -1.475 1.00 24.12 H new ATOM 0 HD11 LEU A 29 3.079 -2.968 0.948 1.00 50.44 H new ATOM 0 HD12 LEU A 29 2.264 -1.464 0.455 1.00 50.44 H new ATOM 0 HD13 LEU A 29 1.341 -2.753 1.263 1.00 50.44 H new ATOM 0 HD21 LEU A 29 2.675 -5.063 -0.273 1.00 4.34 H new ATOM 0 HD22 LEU A 29 0.919 -4.939 -0.008 1.00 4.34 H new ATOM 0 HD23 LEU A 29 1.561 -5.098 -1.661 1.00 4.34 H new ATOM 432 N ILE A 30 -1.117 -1.685 1.717 1.00 72.20 N ATOM 433 CA ILE A 30 -1.245 -0.549 2.625 1.00 41.13 C ATOM 434 C ILE A 30 0.074 -0.266 3.335 1.00 41.14 C ATOM 435 O ILE A 30 0.677 -1.159 3.928 1.00 2.42 O ATOM 436 CB ILE A 30 -2.376 -0.743 3.664 1.00 12.14 C ATOM 437 CG1 ILE A 30 -3.120 0.590 3.880 1.00 44.24 C ATOM 438 CG2 ILE A 30 -1.825 -1.290 4.979 1.00 55.33 C ATOM 439 CD1 ILE A 30 -3.851 0.685 5.192 1.00 63.54 C ATOM 0 H ILE A 30 -1.273 -2.599 2.142 1.00 72.20 H new ATOM 0 HA ILE A 30 -1.511 0.310 2.009 1.00 41.13 H new ATOM 0 HB ILE A 30 -3.084 -1.478 3.280 1.00 12.14 H new ATOM 0 HG12 ILE A 30 -2.402 1.408 3.817 1.00 44.24 H new ATOM 0 HG13 ILE A 30 -3.834 0.730 3.068 1.00 44.24 H new ATOM 0 HG21 ILE A 30 -2.641 -1.417 5.691 1.00 55.33 H new ATOM 0 HG22 ILE A 30 -1.346 -2.253 4.800 1.00 55.33 H new ATOM 0 HG23 ILE A 30 -1.094 -0.591 5.386 1.00 55.33 H new ATOM 0 HD11 ILE A 30 -4.347 1.653 5.263 1.00 63.54 H new ATOM 0 HD12 ILE A 30 -4.595 -0.109 5.252 1.00 63.54 H new ATOM 0 HD13 ILE A 30 -3.141 0.580 6.012 1.00 63.54 H new ATOM 451 N GLU A 31 0.518 0.982 3.260 1.00 61.25 N ATOM 452 CA GLU A 31 1.769 1.380 3.889 1.00 30.23 C ATOM 453 C GLU A 31 1.540 2.423 4.979 1.00 70.24 C ATOM 454 O GLU A 31 1.651 3.623 4.733 1.00 52.11 O ATOM 455 CB GLU A 31 2.739 1.927 2.839 1.00 53.44 C ATOM 456 CG GLU A 31 4.056 2.420 3.419 1.00 31.40 C ATOM 457 CD GLU A 31 5.124 2.612 2.359 1.00 14.42 C ATOM 458 OE1 GLU A 31 4.960 3.510 1.507 1.00 42.43 O ATOM 459 OE2 GLU A 31 6.123 1.863 2.382 1.00 41.43 O ATOM 0 H GLU A 31 0.032 1.734 2.771 1.00 61.25 H new ATOM 0 HA GLU A 31 2.202 0.495 4.355 1.00 30.23 H new ATOM 0 HB2 GLU A 31 2.945 1.147 2.106 1.00 53.44 H new ATOM 0 HB3 GLU A 31 2.258 2.747 2.305 1.00 53.44 H new ATOM 0 HG2 GLU A 31 3.890 3.364 3.937 1.00 31.40 H new ATOM 0 HG3 GLU A 31 4.411 1.706 4.163 1.00 31.40 H new ATOM 466 N PHE A 32 1.248 1.957 6.192 1.00 61.02 N ATOM 467 CA PHE A 32 1.039 2.852 7.325 1.00 65.22 C ATOM 468 C PHE A 32 2.245 3.762 7.478 1.00 74.45 C ATOM 469 O PHE A 32 3.380 3.288 7.448 1.00 1.24 O ATOM 470 CB PHE A 32 0.840 2.056 8.615 1.00 73.53 C ATOM 471 CG PHE A 32 -0.383 1.182 8.608 1.00 44.52 C ATOM 472 CD1 PHE A 32 -0.354 -0.070 8.015 1.00 34.11 C ATOM 473 CD2 PHE A 32 -1.561 1.614 9.196 1.00 75.21 C ATOM 474 CE1 PHE A 32 -1.478 -0.874 8.008 1.00 23.20 C ATOM 475 CE2 PHE A 32 -2.688 0.814 9.193 1.00 33.35 C ATOM 476 CZ PHE A 32 -2.646 -0.432 8.598 1.00 52.32 C ATOM 0 H PHE A 32 1.151 0.966 6.414 1.00 61.02 H new ATOM 0 HA PHE A 32 0.144 3.445 7.139 1.00 65.22 H new ATOM 0 HB2 PHE A 32 1.718 1.434 8.786 1.00 73.53 H new ATOM 0 HB3 PHE A 32 0.774 2.750 9.453 1.00 73.53 H new ATOM 0 HD1 PHE A 32 0.557 -0.421 7.553 1.00 34.11 H new ATOM 0 HD2 PHE A 32 -1.599 2.587 9.662 1.00 75.21 H new ATOM 0 HE1 PHE A 32 -1.443 -1.847 7.541 1.00 23.20 H new ATOM 0 HE2 PHE A 32 -3.600 1.162 9.655 1.00 33.35 H new ATOM 0 HZ PHE A 32 -3.525 -1.059 8.594 1.00 52.32 H new ATOM 486 N TYR A 33 2.001 5.062 7.622 1.00 41.11 N ATOM 487 CA TYR A 33 3.089 6.024 7.755 1.00 65.10 C ATOM 488 C TYR A 33 2.711 7.197 8.653 1.00 0.14 C ATOM 489 O TYR A 33 1.708 7.164 9.366 1.00 21.44 O ATOM 490 CB TYR A 33 3.475 6.559 6.375 1.00 55.23 C ATOM 491 CG TYR A 33 2.386 7.390 5.731 1.00 21.32 C ATOM 492 CD1 TYR A 33 1.248 6.792 5.205 1.00 44.32 C ATOM 493 CD2 TYR A 33 2.495 8.773 5.658 1.00 40.24 C ATOM 494 CE1 TYR A 33 0.249 7.549 4.624 1.00 24.31 C ATOM 495 CE2 TYR A 33 1.500 9.537 5.078 1.00 61.35 C ATOM 496 CZ TYR A 33 0.380 8.921 4.563 1.00 73.12 C ATOM 497 OH TYR A 33 -0.613 9.678 3.986 1.00 23.25 O ATOM 0 H TYR A 33 1.067 5.470 7.649 1.00 41.11 H new ATOM 0 HA TYR A 33 3.930 5.503 8.214 1.00 65.10 H new ATOM 0 HB2 TYR A 33 4.378 7.163 6.466 1.00 55.23 H new ATOM 0 HB3 TYR A 33 3.717 5.720 5.722 1.00 55.23 H new ATOM 0 HD1 TYR A 33 1.142 5.718 5.251 1.00 44.32 H new ATOM 0 HD2 TYR A 33 3.371 9.259 6.061 1.00 40.24 H new ATOM 0 HE1 TYR A 33 -0.630 7.069 4.220 1.00 24.31 H new ATOM 0 HE2 TYR A 33 1.600 10.611 5.029 1.00 61.35 H new ATOM 0 HH TYR A 33 -0.366 10.626 4.025 1.00 23.25 H new ATOM 507 N ALA A 34 3.533 8.239 8.588 1.00 72.21 N ATOM 508 CA ALA A 34 3.329 9.452 9.357 1.00 21.32 C ATOM 509 C ALA A 34 3.846 10.651 8.569 1.00 43.41 C ATOM 510 O ALA A 34 4.518 10.490 7.550 1.00 1.30 O ATOM 511 CB ALA A 34 4.036 9.353 10.700 1.00 75.21 C ATOM 0 H ALA A 34 4.363 8.262 7.996 1.00 72.21 H new ATOM 0 HA ALA A 34 2.263 9.582 9.542 1.00 21.32 H new ATOM 0 HB1 ALA A 34 3.874 10.271 11.265 1.00 75.21 H new ATOM 0 HB2 ALA A 34 3.637 8.507 11.260 1.00 75.21 H new ATOM 0 HB3 ALA A 34 5.105 9.210 10.539 1.00 75.21 H new ATOM 517 N PRO A 35 3.560 11.869 9.038 1.00 54.30 N ATOM 518 CA PRO A 35 4.012 13.093 8.395 1.00 5.43 C ATOM 519 C PRO A 35 5.375 13.502 8.919 1.00 35.33 C ATOM 520 O PRO A 35 6.087 14.305 8.316 1.00 62.40 O ATOM 521 CB PRO A 35 2.951 14.092 8.829 1.00 42.25 C ATOM 522 CG PRO A 35 2.556 13.648 10.199 1.00 35.10 C ATOM 523 CD PRO A 35 2.795 12.157 10.259 1.00 41.21 C ATOM 0 HA PRO A 35 4.123 13.007 7.314 1.00 5.43 H new ATOM 0 HB2 PRO A 35 3.344 15.109 8.839 1.00 42.25 H new ATOM 0 HB3 PRO A 35 2.099 14.086 8.149 1.00 42.25 H new ATOM 0 HG2 PRO A 35 3.144 14.165 10.958 1.00 35.10 H new ATOM 0 HG3 PRO A 35 1.509 13.880 10.394 1.00 35.10 H new ATOM 0 HD2 PRO A 35 3.352 11.878 11.154 1.00 41.21 H new ATOM 0 HD3 PRO A 35 1.856 11.603 10.282 1.00 41.21 H new ATOM 531 N TRP A 36 5.715 12.929 10.063 1.00 31.21 N ATOM 532 CA TRP A 36 6.987 13.201 10.724 1.00 75.21 C ATOM 533 C TRP A 36 7.916 11.997 10.655 1.00 62.33 C ATOM 534 O TRP A 36 8.873 11.893 11.421 1.00 1.45 O ATOM 535 CB TRP A 36 6.734 13.569 12.178 1.00 52.43 C ATOM 536 CG TRP A 36 6.082 12.469 12.959 1.00 41.11 C ATOM 537 CD1 TRP A 36 4.744 12.233 13.068 1.00 21.41 C ATOM 538 CD2 TRP A 36 6.733 11.458 13.737 1.00 13.21 C ATOM 539 NE1 TRP A 36 4.520 11.128 13.851 1.00 33.33 N ATOM 540 CE2 TRP A 36 5.726 10.638 14.281 1.00 14.12 C ATOM 541 CE3 TRP A 36 8.069 11.164 14.026 1.00 31.24 C ATOM 542 CZ2 TRP A 36 6.013 9.545 15.094 1.00 12.14 C ATOM 543 CZ3 TRP A 36 8.353 10.080 14.835 1.00 62.31 C ATOM 544 CH2 TRP A 36 7.329 9.282 15.360 1.00 0.12 C ATOM 0 H TRP A 36 5.121 12.265 10.560 1.00 31.21 H new ATOM 0 HA TRP A 36 7.470 14.031 10.208 1.00 75.21 H new ATOM 0 HB2 TRP A 36 7.681 13.830 12.650 1.00 52.43 H new ATOM 0 HB3 TRP A 36 6.103 14.457 12.217 1.00 52.43 H new ATOM 0 HD1 TRP A 36 3.972 12.829 12.605 1.00 21.41 H new ATOM 0 HE1 TRP A 36 3.606 10.736 14.076 1.00 33.33 H new ATOM 0 HE3 TRP A 36 8.865 11.773 13.624 1.00 31.24 H new ATOM 0 HZ2 TRP A 36 5.226 8.927 15.500 1.00 12.14 H new ATOM 0 HZ3 TRP A 36 9.381 9.845 15.066 1.00 62.31 H new ATOM 0 HH2 TRP A 36 7.583 8.441 15.988 1.00 0.12 H new ATOM 555 N CYS A 37 7.625 11.091 9.736 1.00 12.21 N ATOM 556 CA CYS A 37 8.433 9.891 9.570 1.00 73.34 C ATOM 557 C CYS A 37 9.448 10.076 8.450 1.00 74.40 C ATOM 558 O CYS A 37 9.273 10.928 7.581 1.00 21.03 O ATOM 559 CB CYS A 37 7.538 8.687 9.271 1.00 61.20 C ATOM 560 SG CYS A 37 8.053 7.161 10.093 1.00 11.22 S ATOM 0 H CYS A 37 6.836 11.162 9.093 1.00 12.21 H new ATOM 0 HA CYS A 37 8.972 9.711 10.500 1.00 73.34 H new ATOM 0 HB2 CYS A 37 6.517 8.923 9.573 1.00 61.20 H new ATOM 0 HB3 CYS A 37 7.521 8.519 8.194 1.00 61.20 H new ATOM 0 HG CYS A 37 8.312 6.253 9.200 1.00 11.22 H new ATOM 566 N GLY A 38 10.504 9.271 8.475 1.00 73.01 N ATOM 567 CA GLY A 38 11.527 9.358 7.451 1.00 54.25 C ATOM 568 C GLY A 38 11.444 8.205 6.473 1.00 23.12 C ATOM 569 O GLY A 38 11.736 8.362 5.287 1.00 65.32 O ATOM 0 H GLY A 38 10.670 8.559 9.187 1.00 73.01 H new ATOM 0 HA2 GLY A 38 11.423 10.300 6.912 1.00 54.25 H new ATOM 0 HA3 GLY A 38 12.511 9.367 7.920 1.00 54.25 H new ATOM 573 N HIS A 39 11.036 7.042 6.973 1.00 2.33 N ATOM 574 CA HIS A 39 10.904 5.855 6.139 1.00 41.12 C ATOM 575 C HIS A 39 9.869 6.087 5.046 1.00 11.52 C ATOM 576 O HIS A 39 10.085 5.735 3.886 1.00 25.14 O ATOM 577 CB HIS A 39 10.507 4.647 6.989 1.00 52.33 C ATOM 578 CG HIS A 39 11.319 4.502 8.238 1.00 24.32 C ATOM 579 ND1 HIS A 39 11.033 5.179 9.405 1.00 54.12 N ATOM 580 CD2 HIS A 39 12.416 3.753 8.500 1.00 21.12 C ATOM 581 CE1 HIS A 39 11.918 4.853 10.330 1.00 22.32 C ATOM 582 NE2 HIS A 39 12.767 3.989 9.806 1.00 30.33 N ATOM 0 H HIS A 39 10.791 6.898 7.953 1.00 2.33 H new ATOM 0 HA HIS A 39 11.868 5.653 5.672 1.00 41.12 H new ATOM 0 HB2 HIS A 39 9.454 4.732 7.258 1.00 52.33 H new ATOM 0 HB3 HIS A 39 10.611 3.742 6.391 1.00 52.33 H new ATOM 0 HD1 HIS A 39 10.259 5.830 9.534 1.00 54.12 H new ATOM 0 HD2 HIS A 39 12.921 3.093 7.810 1.00 21.12 H new ATOM 0 HE1 HIS A 39 11.943 5.229 11.342 1.00 22.32 H new ATOM 591 N CYS A 40 8.745 6.693 5.422 1.00 60.23 N ATOM 592 CA CYS A 40 7.681 6.982 4.470 1.00 12.10 C ATOM 593 C CYS A 40 8.194 7.895 3.368 1.00 73.23 C ATOM 594 O CYS A 40 7.960 7.658 2.183 1.00 34.22 O ATOM 595 CB CYS A 40 6.493 7.634 5.176 1.00 63.34 C ATOM 596 SG CYS A 40 5.118 8.041 4.075 1.00 13.53 S ATOM 0 H CYS A 40 8.550 6.992 6.377 1.00 60.23 H new ATOM 0 HA CYS A 40 7.352 6.042 4.027 1.00 12.10 H new ATOM 0 HB2 CYS A 40 6.134 6.963 5.956 1.00 63.34 H new ATOM 0 HB3 CYS A 40 6.832 8.545 5.670 1.00 63.34 H new ATOM 0 HG CYS A 40 4.073 8.352 4.783 1.00 13.53 H new ATOM 602 N LYS A 41 8.906 8.933 3.776 1.00 21.23 N ATOM 603 CA LYS A 41 9.478 9.895 2.833 1.00 10.33 C ATOM 604 C LYS A 41 10.337 9.187 1.791 1.00 54.14 C ATOM 605 O LYS A 41 10.402 9.601 0.633 1.00 74.52 O ATOM 606 CB LYS A 41 10.331 10.930 3.572 1.00 51.31 C ATOM 607 CG LYS A 41 9.811 11.283 4.953 1.00 32.41 C ATOM 608 CD LYS A 41 10.445 12.558 5.475 1.00 32.30 C ATOM 609 CE LYS A 41 9.873 13.774 4.775 1.00 55.12 C ATOM 610 NZ LYS A 41 10.738 14.974 4.939 1.00 20.54 N ATOM 0 H LYS A 41 9.105 9.136 4.756 1.00 21.23 H new ATOM 0 HA LYS A 41 8.652 10.399 2.331 1.00 10.33 H new ATOM 0 HB2 LYS A 41 11.348 10.549 3.664 1.00 51.31 H new ATOM 0 HB3 LYS A 41 10.384 11.838 2.971 1.00 51.31 H new ATOM 0 HG2 LYS A 41 8.728 11.402 4.916 1.00 32.41 H new ATOM 0 HG3 LYS A 41 10.018 10.464 5.642 1.00 32.41 H new ATOM 0 HD2 LYS A 41 10.276 12.639 6.549 1.00 32.30 H new ATOM 0 HD3 LYS A 41 11.524 12.521 5.324 1.00 32.30 H new ATOM 0 HE2 LYS A 41 9.752 13.557 3.714 1.00 55.12 H new ATOM 0 HE3 LYS A 41 8.880 13.986 5.172 1.00 55.12 H new ATOM 0 HZ1 LYS A 41 10.308 15.782 4.444 1.00 20.54 H new ATOM 0 HZ2 LYS A 41 10.833 15.198 5.950 1.00 20.54 H new ATOM 0 HZ3 LYS A 41 11.678 14.782 4.537 1.00 20.54 H new ATOM 624 N ALA A 42 10.989 8.114 2.216 1.00 53.53 N ATOM 625 CA ALA A 42 11.845 7.329 1.336 1.00 63.24 C ATOM 626 C ALA A 42 11.052 6.217 0.664 1.00 22.20 C ATOM 627 O ALA A 42 11.481 5.641 -0.335 1.00 35.20 O ATOM 628 CB ALA A 42 12.990 6.733 2.130 1.00 71.23 C ATOM 0 H ALA A 42 10.941 7.764 3.173 1.00 53.53 H new ATOM 0 HA ALA A 42 12.242 7.988 0.564 1.00 63.24 H new ATOM 0 HB1 ALA A 42 13.627 6.147 1.467 1.00 71.23 H new ATOM 0 HB2 ALA A 42 13.576 7.534 2.581 1.00 71.23 H new ATOM 0 HB3 ALA A 42 12.592 6.088 2.914 1.00 71.23 H new ATOM 634 N LEU A 43 9.897 5.920 1.239 1.00 3.15 N ATOM 635 CA LEU A 43 9.021 4.874 0.733 1.00 50.12 C ATOM 636 C LEU A 43 8.051 5.402 -0.325 1.00 0.15 C ATOM 637 O LEU A 43 7.458 4.638 -1.082 1.00 25.30 O ATOM 638 CB LEU A 43 8.231 4.278 1.887 1.00 20.44 C ATOM 639 CG LEU A 43 8.976 3.218 2.693 1.00 62.22 C ATOM 640 CD1 LEU A 43 8.379 3.085 4.084 1.00 75.32 C ATOM 641 CD2 LEU A 43 8.955 1.887 1.965 1.00 41.04 C ATOM 0 H LEU A 43 9.541 6.396 2.068 1.00 3.15 H new ATOM 0 HA LEU A 43 9.645 4.114 0.263 1.00 50.12 H new ATOM 0 HB2 LEU A 43 7.934 5.083 2.559 1.00 20.44 H new ATOM 0 HB3 LEU A 43 7.315 3.837 1.493 1.00 20.44 H new ATOM 0 HG LEU A 43 10.014 3.531 2.800 1.00 62.22 H new ATOM 0 HD11 LEU A 43 8.924 2.324 4.643 1.00 75.32 H new ATOM 0 HD12 LEU A 43 8.453 4.040 4.604 1.00 75.32 H new ATOM 0 HD13 LEU A 43 7.331 2.795 4.004 1.00 75.32 H new ATOM 0 HD21 LEU A 43 9.491 1.142 2.553 1.00 41.04 H new ATOM 0 HD22 LEU A 43 7.923 1.565 1.825 1.00 41.04 H new ATOM 0 HD23 LEU A 43 9.436 1.996 0.993 1.00 41.04 H new ATOM 653 N ALA A 44 7.886 6.712 -0.352 1.00 71.13 N ATOM 654 CA ALA A 44 6.986 7.369 -1.293 1.00 14.25 C ATOM 655 C ALA A 44 7.484 7.290 -2.733 1.00 34.31 C ATOM 656 O ALA A 44 6.694 7.099 -3.655 1.00 74.45 O ATOM 657 CB ALA A 44 6.815 8.821 -0.904 1.00 30.41 C ATOM 0 H ALA A 44 8.370 7.354 0.276 1.00 71.13 H new ATOM 0 HA ALA A 44 6.032 6.844 -1.245 1.00 14.25 H new ATOM 0 HB1 ALA A 44 6.142 9.310 -1.609 1.00 30.41 H new ATOM 0 HB2 ALA A 44 6.395 8.882 0.100 1.00 30.41 H new ATOM 0 HB3 ALA A 44 7.784 9.319 -0.923 1.00 30.41 H new ATOM 663 N PRO A 45 8.801 7.443 -2.956 1.00 75.14 N ATOM 664 CA PRO A 45 9.368 7.390 -4.300 1.00 70.44 C ATOM 665 C PRO A 45 8.938 6.140 -5.032 1.00 62.41 C ATOM 666 O PRO A 45 8.705 6.152 -6.241 1.00 14.35 O ATOM 667 CB PRO A 45 10.875 7.354 -4.080 1.00 11.31 C ATOM 668 CG PRO A 45 11.111 7.804 -2.679 1.00 74.31 C ATOM 669 CD PRO A 45 9.820 7.669 -1.922 1.00 42.31 C ATOM 0 HA PRO A 45 9.039 8.236 -4.903 1.00 70.44 H new ATOM 0 HB2 PRO A 45 11.265 6.348 -4.235 1.00 11.31 H new ATOM 0 HB3 PRO A 45 11.386 8.007 -4.788 1.00 11.31 H new ATOM 0 HG2 PRO A 45 11.891 7.202 -2.212 1.00 74.31 H new ATOM 0 HG3 PRO A 45 11.455 8.838 -2.664 1.00 74.31 H new ATOM 0 HD2 PRO A 45 9.860 6.838 -1.217 1.00 42.31 H new ATOM 0 HD3 PRO A 45 9.605 8.568 -1.344 1.00 42.31 H new ATOM 677 N LYS A 46 8.828 5.065 -4.277 1.00 20.24 N ATOM 678 CA LYS A 46 8.409 3.783 -4.846 1.00 25.04 C ATOM 679 C LYS A 46 6.902 3.696 -4.885 1.00 42.02 C ATOM 680 O LYS A 46 6.328 2.979 -5.697 1.00 64.24 O ATOM 681 CB LYS A 46 8.959 2.608 -4.038 1.00 30.13 C ATOM 682 CG LYS A 46 8.312 2.443 -2.673 1.00 4.35 C ATOM 683 CD LYS A 46 9.282 2.756 -1.555 1.00 52.40 C ATOM 684 CE LYS A 46 10.536 1.900 -1.638 1.00 65.44 C ATOM 685 NZ LYS A 46 11.765 2.732 -1.758 1.00 23.32 N ATOM 0 H LYS A 46 9.019 5.045 -3.275 1.00 20.24 H new ATOM 0 HA LYS A 46 8.809 3.727 -5.859 1.00 25.04 H new ATOM 0 HB2 LYS A 46 8.819 1.690 -4.609 1.00 30.13 H new ATOM 0 HB3 LYS A 46 10.033 2.741 -3.907 1.00 30.13 H new ATOM 0 HG2 LYS A 46 7.446 3.100 -2.599 1.00 4.35 H new ATOM 0 HG3 LYS A 46 7.947 1.422 -2.564 1.00 4.35 H new ATOM 0 HD2 LYS A 46 9.558 3.810 -1.598 1.00 52.40 H new ATOM 0 HD3 LYS A 46 8.794 2.593 -0.594 1.00 52.40 H new ATOM 0 HE2 LYS A 46 10.607 1.272 -0.750 1.00 65.44 H new ATOM 0 HE3 LYS A 46 10.464 1.232 -2.496 1.00 65.44 H new ATOM 0 HZ1 LYS A 46 12.571 2.126 -2.015 1.00 23.32 H new ATOM 0 HZ2 LYS A 46 11.626 3.453 -2.494 1.00 23.32 H new ATOM 0 HZ3 LYS A 46 11.959 3.199 -0.849 1.00 23.32 H new ATOM 699 N TYR A 47 6.271 4.424 -3.989 1.00 61.23 N ATOM 700 CA TYR A 47 4.828 4.420 -3.906 1.00 23.14 C ATOM 701 C TYR A 47 4.215 5.242 -5.030 1.00 2.14 C ATOM 702 O TYR A 47 3.118 4.951 -5.495 1.00 1.03 O ATOM 703 CB TYR A 47 4.377 4.940 -2.544 1.00 43.44 C ATOM 704 CG TYR A 47 3.619 3.907 -1.749 1.00 40.11 C ATOM 705 CD1 TYR A 47 4.168 2.655 -1.519 1.00 32.01 C ATOM 706 CD2 TYR A 47 2.357 4.177 -1.239 1.00 74.31 C ATOM 707 CE1 TYR A 47 3.483 1.697 -0.802 1.00 25.32 C ATOM 708 CE2 TYR A 47 1.664 3.225 -0.519 1.00 13.43 C ATOM 709 CZ TYR A 47 2.230 1.986 -0.302 1.00 43.13 C ATOM 710 OH TYR A 47 1.538 1.034 0.414 1.00 24.45 O ATOM 0 H TYR A 47 6.735 5.026 -3.308 1.00 61.23 H new ATOM 0 HA TYR A 47 4.480 3.393 -4.018 1.00 23.14 H new ATOM 0 HB2 TYR A 47 5.249 5.262 -1.975 1.00 43.44 H new ATOM 0 HB3 TYR A 47 3.747 5.818 -2.685 1.00 43.44 H new ATOM 0 HD1 TYR A 47 5.149 2.426 -1.908 1.00 32.01 H new ATOM 0 HD2 TYR A 47 1.911 5.146 -1.408 1.00 74.31 H new ATOM 0 HE1 TYR A 47 3.925 0.726 -0.633 1.00 25.32 H new ATOM 0 HE2 TYR A 47 0.683 3.449 -0.127 1.00 13.43 H new ATOM 0 HH TYR A 47 0.604 1.017 0.118 1.00 24.45 H new ATOM 720 N GLU A 48 4.934 6.263 -5.470 1.00 24.14 N ATOM 721 CA GLU A 48 4.454 7.115 -6.545 1.00 22.24 C ATOM 722 C GLU A 48 4.811 6.529 -7.905 1.00 54.31 C ATOM 723 O GLU A 48 4.067 6.684 -8.867 1.00 22.41 O ATOM 724 CB GLU A 48 5.037 8.521 -6.416 1.00 13.13 C ATOM 725 CG GLU A 48 4.341 9.375 -5.367 1.00 10.32 C ATOM 726 CD GLU A 48 3.635 10.576 -5.964 1.00 51.13 C ATOM 727 OE1 GLU A 48 2.917 10.403 -6.971 1.00 72.33 O ATOM 728 OE2 GLU A 48 3.802 11.691 -5.425 1.00 52.11 O ATOM 0 H GLU A 48 5.849 6.521 -5.100 1.00 24.14 H new ATOM 0 HA GLU A 48 3.368 7.173 -6.466 1.00 22.24 H new ATOM 0 HB2 GLU A 48 6.095 8.445 -6.167 1.00 13.13 H new ATOM 0 HB3 GLU A 48 4.972 9.022 -7.382 1.00 13.13 H new ATOM 0 HG2 GLU A 48 3.617 8.763 -4.829 1.00 10.32 H new ATOM 0 HG3 GLU A 48 5.075 9.716 -4.637 1.00 10.32 H new ATOM 735 N GLU A 49 5.950 5.851 -7.977 1.00 54.44 N ATOM 736 CA GLU A 49 6.397 5.245 -9.224 1.00 42.11 C ATOM 737 C GLU A 49 5.743 3.886 -9.420 1.00 51.34 C ATOM 738 O GLU A 49 5.331 3.533 -10.525 1.00 33.31 O ATOM 739 CB GLU A 49 7.919 5.099 -9.230 1.00 61.51 C ATOM 740 CG GLU A 49 8.655 6.411 -9.445 1.00 11.24 C ATOM 741 CD GLU A 49 9.958 6.483 -8.672 1.00 61.31 C ATOM 742 OE1 GLU A 49 10.658 5.452 -8.592 1.00 30.35 O ATOM 743 OE2 GLU A 49 10.277 7.570 -8.146 1.00 22.31 O ATOM 0 H GLU A 49 6.580 5.707 -7.188 1.00 54.44 H new ATOM 0 HA GLU A 49 6.103 5.897 -10.047 1.00 42.11 H new ATOM 0 HB2 GLU A 49 8.238 4.664 -8.283 1.00 61.51 H new ATOM 0 HB3 GLU A 49 8.205 4.399 -10.015 1.00 61.51 H new ATOM 0 HG2 GLU A 49 8.860 6.538 -10.508 1.00 11.24 H new ATOM 0 HG3 GLU A 49 8.012 7.238 -9.143 1.00 11.24 H new ATOM 750 N LEU A 50 5.629 3.138 -8.334 1.00 55.33 N ATOM 751 CA LEU A 50 5.009 1.832 -8.371 1.00 62.33 C ATOM 752 C LEU A 50 3.517 1.996 -8.294 1.00 53.01 C ATOM 753 O LEU A 50 2.757 1.361 -9.022 1.00 72.22 O ATOM 754 CB LEU A 50 5.486 1.005 -7.191 1.00 53.34 C ATOM 755 CG LEU A 50 5.254 -0.501 -7.321 1.00 31.31 C ATOM 756 CD1 LEU A 50 6.451 -1.177 -7.971 1.00 73.44 C ATOM 757 CD2 LEU A 50 4.963 -1.112 -5.960 1.00 32.53 C ATOM 0 H LEU A 50 5.962 3.420 -7.412 1.00 55.33 H new ATOM 0 HA LEU A 50 5.280 1.325 -9.297 1.00 62.33 H new ATOM 0 HB2 LEU A 50 6.552 1.182 -7.050 1.00 53.34 H new ATOM 0 HB3 LEU A 50 4.982 1.359 -6.291 1.00 53.34 H new ATOM 0 HG LEU A 50 4.387 -0.661 -7.962 1.00 31.31 H new ATOM 0 HD11 LEU A 50 6.264 -2.248 -8.053 1.00 73.44 H new ATOM 0 HD12 LEU A 50 6.610 -0.759 -8.965 1.00 73.44 H new ATOM 0 HD13 LEU A 50 7.339 -1.010 -7.361 1.00 73.44 H new ATOM 0 HD21 LEU A 50 4.800 -2.184 -6.070 1.00 32.53 H new ATOM 0 HD22 LEU A 50 5.810 -0.940 -5.295 1.00 32.53 H new ATOM 0 HD23 LEU A 50 4.070 -0.651 -5.538 1.00 32.53 H new ATOM 769 N GLY A 51 3.116 2.874 -7.396 1.00 23.21 N ATOM 770 CA GLY A 51 1.712 3.147 -7.214 1.00 32.42 C ATOM 771 C GLY A 51 1.094 3.702 -8.462 1.00 21.41 C ATOM 772 O GLY A 51 -0.002 3.313 -8.856 1.00 20.22 O ATOM 0 H GLY A 51 3.740 3.404 -6.788 1.00 23.21 H new ATOM 0 HA2 GLY A 51 1.196 2.230 -6.928 1.00 32.42 H new ATOM 0 HA3 GLY A 51 1.581 3.855 -6.396 1.00 32.42 H new ATOM 776 N ALA A 52 1.818 4.603 -9.094 1.00 74.32 N ATOM 777 CA ALA A 52 1.364 5.208 -10.327 1.00 34.41 C ATOM 778 C ALA A 52 1.252 4.138 -11.397 1.00 53.51 C ATOM 779 O ALA A 52 0.225 4.001 -12.059 1.00 24.53 O ATOM 780 CB ALA A 52 2.329 6.293 -10.758 1.00 21.31 C ATOM 0 H ALA A 52 2.728 4.933 -8.771 1.00 74.32 H new ATOM 0 HA ALA A 52 0.385 5.662 -10.174 1.00 34.41 H new ATOM 0 HB1 ALA A 52 1.979 6.743 -11.687 1.00 21.31 H new ATOM 0 HB2 ALA A 52 2.386 7.058 -9.983 1.00 21.31 H new ATOM 0 HB3 ALA A 52 3.317 5.860 -10.914 1.00 21.31 H new ATOM 786 N LEU A 53 2.314 3.359 -11.543 1.00 5.04 N ATOM 787 CA LEU A 53 2.323 2.284 -12.521 1.00 63.21 C ATOM 788 C LEU A 53 1.263 1.247 -12.170 1.00 15.14 C ATOM 789 O LEU A 53 0.672 0.624 -13.050 1.00 42.51 O ATOM 790 CB LEU A 53 3.704 1.634 -12.590 1.00 31.14 C ATOM 791 CG LEU A 53 4.828 2.565 -13.045 1.00 72.33 C ATOM 792 CD1 LEU A 53 6.182 2.016 -12.623 1.00 21.32 C ATOM 793 CD2 LEU A 53 4.777 2.763 -14.553 1.00 32.33 C ATOM 0 H LEU A 53 3.173 3.451 -11.001 1.00 5.04 H new ATOM 0 HA LEU A 53 2.092 2.702 -13.501 1.00 63.21 H new ATOM 0 HB2 LEU A 53 3.954 1.239 -11.605 1.00 31.14 H new ATOM 0 HB3 LEU A 53 3.657 0.784 -13.271 1.00 31.14 H new ATOM 0 HG LEU A 53 4.688 3.534 -12.565 1.00 72.33 H new ATOM 0 HD11 LEU A 53 6.969 2.693 -12.956 1.00 21.32 H new ATOM 0 HD12 LEU A 53 6.216 1.926 -11.537 1.00 21.32 H new ATOM 0 HD13 LEU A 53 6.333 1.035 -13.073 1.00 21.32 H new ATOM 0 HD21 LEU A 53 5.584 3.428 -14.860 1.00 32.33 H new ATOM 0 HD22 LEU A 53 4.892 1.800 -15.050 1.00 32.33 H new ATOM 0 HD23 LEU A 53 3.819 3.203 -14.830 1.00 32.33 H new ATOM 805 N TYR A 54 1.020 1.075 -10.875 1.00 1.54 N ATOM 806 CA TYR A 54 0.022 0.122 -10.410 1.00 34.11 C ATOM 807 C TYR A 54 -1.389 0.679 -10.590 1.00 70.15 C ATOM 808 O TYR A 54 -2.350 -0.079 -10.725 1.00 54.54 O ATOM 809 CB TYR A 54 0.262 -0.221 -8.939 1.00 11.35 C ATOM 810 CG TYR A 54 1.140 -1.435 -8.734 1.00 31.32 C ATOM 811 CD1 TYR A 54 2.401 -1.510 -9.312 1.00 13.35 C ATOM 812 CD2 TYR A 54 0.707 -2.507 -7.964 1.00 14.11 C ATOM 813 CE1 TYR A 54 3.206 -2.619 -9.126 1.00 12.41 C ATOM 814 CE2 TYR A 54 1.505 -3.618 -7.773 1.00 11.43 C ATOM 815 CZ TYR A 54 2.754 -3.669 -8.357 1.00 43.43 C ATOM 816 OH TYR A 54 3.552 -4.775 -8.170 1.00 74.34 O ATOM 0 H TYR A 54 1.500 1.582 -10.131 1.00 1.54 H new ATOM 0 HA TYR A 54 0.115 -0.784 -11.008 1.00 34.11 H new ATOM 0 HB2 TYR A 54 0.721 0.636 -8.445 1.00 11.35 H new ATOM 0 HB3 TYR A 54 -0.699 -0.392 -8.453 1.00 11.35 H new ATOM 0 HD1 TYR A 54 2.758 -0.689 -9.916 1.00 13.35 H new ATOM 0 HD2 TYR A 54 -0.271 -2.471 -7.507 1.00 14.11 H new ATOM 0 HE1 TYR A 54 4.184 -2.662 -9.581 1.00 12.41 H new ATOM 0 HE2 TYR A 54 1.153 -4.442 -7.170 1.00 11.43 H new ATOM 0 HH TYR A 54 3.085 -5.423 -7.602 1.00 74.34 H new ATOM 826 N ALA A 55 -1.510 2.006 -10.576 1.00 21.21 N ATOM 827 CA ALA A 55 -2.809 2.658 -10.722 1.00 3.44 C ATOM 828 C ALA A 55 -2.947 3.398 -12.057 1.00 5.13 C ATOM 829 O ALA A 55 -3.855 4.213 -12.224 1.00 74.31 O ATOM 830 CB ALA A 55 -3.039 3.621 -9.567 1.00 34.11 C ATOM 0 H ALA A 55 -0.726 2.649 -10.465 1.00 21.21 H new ATOM 0 HA ALA A 55 -3.567 1.875 -10.708 1.00 3.44 H new ATOM 0 HB1 ALA A 55 -4.010 4.103 -9.683 1.00 34.11 H new ATOM 0 HB2 ALA A 55 -3.017 3.072 -8.626 1.00 34.11 H new ATOM 0 HB3 ALA A 55 -2.256 4.379 -9.564 1.00 34.11 H new ATOM 836 N LYS A 56 -2.052 3.123 -13.005 1.00 4.24 N ATOM 837 CA LYS A 56 -2.102 3.785 -14.310 1.00 4.42 C ATOM 838 C LYS A 56 -1.633 2.861 -15.435 1.00 44.15 C ATOM 839 O LYS A 56 -2.229 2.833 -16.511 1.00 51.42 O ATOM 840 CB LYS A 56 -1.251 5.058 -14.297 1.00 22.22 C ATOM 841 CG LYS A 56 -2.007 6.298 -14.748 1.00 10.21 C ATOM 842 CD LYS A 56 -1.626 7.515 -13.920 1.00 4.24 C ATOM 843 CE LYS A 56 -1.968 7.318 -12.452 1.00 65.32 C ATOM 844 NZ LYS A 56 -2.446 8.579 -11.820 1.00 32.21 N ATOM 0 H LYS A 56 -1.290 2.453 -12.897 1.00 4.24 H new ATOM 0 HA LYS A 56 -3.143 4.046 -14.501 1.00 4.42 H new ATOM 0 HB2 LYS A 56 -0.871 5.221 -13.289 1.00 22.22 H new ATOM 0 HB3 LYS A 56 -0.386 4.914 -14.945 1.00 22.22 H new ATOM 0 HG2 LYS A 56 -1.796 6.492 -15.800 1.00 10.21 H new ATOM 0 HG3 LYS A 56 -3.079 6.122 -14.665 1.00 10.21 H new ATOM 0 HD2 LYS A 56 -0.558 7.707 -14.023 1.00 4.24 H new ATOM 0 HD3 LYS A 56 -2.146 8.394 -14.301 1.00 4.24 H new ATOM 0 HE2 LYS A 56 -2.736 6.551 -12.358 1.00 65.32 H new ATOM 0 HE3 LYS A 56 -1.089 6.956 -11.920 1.00 65.32 H new ATOM 0 HZ1 LYS A 56 -2.669 8.403 -10.820 1.00 32.21 H new ATOM 0 HZ2 LYS A 56 -1.703 9.304 -11.887 1.00 32.21 H new ATOM 0 HZ3 LYS A 56 -3.300 8.912 -12.312 1.00 32.21 H new ATOM 858 N SER A 57 -0.557 2.117 -15.186 1.00 21.53 N ATOM 859 CA SER A 57 -0.007 1.204 -16.187 1.00 44.53 C ATOM 860 C SER A 57 -1.033 0.139 -16.590 1.00 60.45 C ATOM 861 O SER A 57 -2.234 0.405 -16.617 1.00 54.40 O ATOM 862 CB SER A 57 1.271 0.551 -15.653 1.00 10.34 C ATOM 863 OG SER A 57 2.116 0.140 -16.713 1.00 42.20 O ATOM 0 H SER A 57 -0.049 2.128 -14.301 1.00 21.53 H new ATOM 0 HA SER A 57 0.237 1.780 -17.080 1.00 44.53 H new ATOM 0 HB2 SER A 57 1.802 1.255 -15.013 1.00 10.34 H new ATOM 0 HB3 SER A 57 1.013 -0.309 -15.036 1.00 10.34 H new ATOM 0 HG SER A 57 2.925 -0.272 -16.345 1.00 42.20 H new ATOM 869 N GLU A 58 -0.558 -1.067 -16.910 1.00 55.23 N ATOM 870 CA GLU A 58 -1.443 -2.156 -17.318 1.00 22.24 C ATOM 871 C GLU A 58 -2.044 -2.883 -16.114 1.00 31.15 C ATOM 872 O GLU A 58 -2.516 -4.013 -16.236 1.00 31.23 O ATOM 873 CB GLU A 58 -0.682 -3.152 -18.195 1.00 12.33 C ATOM 874 CG GLU A 58 0.211 -2.490 -19.232 1.00 25.21 C ATOM 875 CD GLU A 58 0.954 -3.495 -20.089 1.00 5.30 C ATOM 876 OE1 GLU A 58 1.486 -4.476 -19.528 1.00 25.24 O ATOM 877 OE2 GLU A 58 1.004 -3.302 -21.322 1.00 24.30 O ATOM 0 H GLU A 58 0.432 -1.312 -16.894 1.00 55.23 H new ATOM 0 HA GLU A 58 -2.262 -1.716 -17.887 1.00 22.24 H new ATOM 0 HB2 GLU A 58 -0.072 -3.792 -17.558 1.00 12.33 H new ATOM 0 HB3 GLU A 58 -1.398 -3.797 -18.703 1.00 12.33 H new ATOM 0 HG2 GLU A 58 -0.396 -1.850 -19.873 1.00 25.21 H new ATOM 0 HG3 GLU A 58 0.931 -1.846 -18.728 1.00 25.21 H new ATOM 884 N PHE A 59 -2.035 -2.229 -14.956 1.00 74.45 N ATOM 885 CA PHE A 59 -2.592 -2.816 -13.741 1.00 21.52 C ATOM 886 C PHE A 59 -3.347 -1.760 -12.939 1.00 53.04 C ATOM 887 O PHE A 59 -3.625 -1.947 -11.754 1.00 13.31 O ATOM 888 CB PHE A 59 -1.491 -3.441 -12.874 1.00 12.03 C ATOM 889 CG PHE A 59 -0.145 -3.502 -13.539 1.00 35.24 C ATOM 890 CD1 PHE A 59 0.219 -4.604 -14.295 1.00 63.25 C ATOM 891 CD2 PHE A 59 0.753 -2.456 -13.408 1.00 22.34 C ATOM 892 CE1 PHE A 59 1.456 -4.662 -14.908 1.00 73.00 C ATOM 893 CE2 PHE A 59 1.991 -2.508 -14.018 1.00 44.50 C ATOM 894 CZ PHE A 59 2.344 -3.612 -14.770 1.00 33.14 C ATOM 0 H PHE A 59 -1.648 -1.293 -14.833 1.00 74.45 H new ATOM 0 HA PHE A 59 -3.285 -3.604 -14.037 1.00 21.52 H new ATOM 0 HB2 PHE A 59 -1.402 -2.869 -11.951 1.00 12.03 H new ATOM 0 HB3 PHE A 59 -1.792 -4.451 -12.595 1.00 12.03 H new ATOM 0 HD1 PHE A 59 -0.472 -5.427 -14.407 1.00 63.25 H new ATOM 0 HD2 PHE A 59 0.482 -1.590 -12.822 1.00 22.34 H new ATOM 0 HE1 PHE A 59 1.729 -5.527 -15.494 1.00 73.00 H new ATOM 0 HE2 PHE A 59 2.683 -1.686 -13.907 1.00 44.50 H new ATOM 0 HZ PHE A 59 3.311 -3.654 -15.249 1.00 33.14 H new ATOM 904 N LYS A 60 -3.677 -0.652 -13.596 1.00 35.11 N ATOM 905 CA LYS A 60 -4.400 0.435 -12.952 1.00 12.50 C ATOM 906 C LYS A 60 -5.745 -0.045 -12.415 1.00 53.32 C ATOM 907 O LYS A 60 -6.320 0.569 -11.516 1.00 1.45 O ATOM 908 CB LYS A 60 -4.605 1.578 -13.942 1.00 4.42 C ATOM 909 CG LYS A 60 -5.429 1.181 -15.150 1.00 41.52 C ATOM 910 CD LYS A 60 -6.218 2.357 -15.700 1.00 11.45 C ATOM 911 CE LYS A 60 -6.619 2.130 -17.149 1.00 63.33 C ATOM 912 NZ LYS A 60 -8.070 1.827 -17.282 1.00 32.12 N ATOM 0 H LYS A 60 -3.453 -0.485 -14.577 1.00 35.11 H new ATOM 0 HA LYS A 60 -3.808 0.791 -12.109 1.00 12.50 H new ATOM 0 HB2 LYS A 60 -5.095 2.408 -13.433 1.00 4.42 H new ATOM 0 HB3 LYS A 60 -3.632 1.939 -14.276 1.00 4.42 H new ATOM 0 HG2 LYS A 60 -4.772 0.788 -15.926 1.00 41.52 H new ATOM 0 HG3 LYS A 60 -6.114 0.379 -14.876 1.00 41.52 H new ATOM 0 HD2 LYS A 60 -7.111 2.513 -15.094 1.00 11.45 H new ATOM 0 HD3 LYS A 60 -5.620 3.265 -15.625 1.00 11.45 H new ATOM 0 HE2 LYS A 60 -6.378 3.017 -17.736 1.00 63.33 H new ATOM 0 HE3 LYS A 60 -6.037 1.306 -17.562 1.00 63.33 H new ATOM 0 HZ1 LYS A 60 -8.303 1.679 -18.285 1.00 32.12 H new ATOM 0 HZ2 LYS A 60 -8.296 0.967 -16.743 1.00 32.12 H new ATOM 0 HZ3 LYS A 60 -8.626 2.624 -16.911 1.00 32.12 H new ATOM 926 N ASP A 61 -6.235 -1.155 -12.961 1.00 63.52 N ATOM 927 CA ASP A 61 -7.503 -1.729 -12.526 1.00 24.02 C ATOM 928 C ASP A 61 -7.260 -3.044 -11.791 1.00 52.43 C ATOM 929 O ASP A 61 -8.190 -3.805 -11.523 1.00 2.45 O ATOM 930 CB ASP A 61 -8.425 -1.959 -13.725 1.00 61.12 C ATOM 931 CG ASP A 61 -9.875 -1.654 -13.405 1.00 13.52 C ATOM 932 OD1 ASP A 61 -10.509 -2.461 -12.693 1.00 23.44 O ATOM 933 OD2 ASP A 61 -10.377 -0.607 -13.866 1.00 30.32 O ATOM 0 H ASP A 61 -5.772 -1.675 -13.706 1.00 63.52 H new ATOM 0 HA ASP A 61 -7.986 -1.028 -11.845 1.00 24.02 H new ATOM 0 HB2 ASP A 61 -8.099 -1.333 -14.556 1.00 61.12 H new ATOM 0 HB3 ASP A 61 -8.338 -2.995 -14.053 1.00 61.12 H new ATOM 938 N ARG A 62 -5.994 -3.298 -11.474 1.00 74.15 N ATOM 939 CA ARG A 62 -5.592 -4.508 -10.777 1.00 30.21 C ATOM 940 C ARG A 62 -5.029 -4.154 -9.399 1.00 43.41 C ATOM 941 O ARG A 62 -5.515 -3.229 -8.748 1.00 13.43 O ATOM 942 CB ARG A 62 -4.558 -5.259 -11.620 1.00 63.22 C ATOM 943 CG ARG A 62 -4.619 -6.768 -11.459 1.00 63.51 C ATOM 944 CD ARG A 62 -3.382 -7.439 -12.034 1.00 55.34 C ATOM 945 NE ARG A 62 -3.533 -7.738 -13.457 1.00 33.12 N ATOM 946 CZ ARG A 62 -2.523 -8.076 -14.255 1.00 32.42 C ATOM 947 NH1 ARG A 62 -1.288 -8.160 -13.775 1.00 51.31 N ATOM 948 NH2 ARG A 62 -2.748 -8.333 -15.536 1.00 30.32 N ATOM 0 H ARG A 62 -5.221 -2.670 -11.694 1.00 74.15 H new ATOM 0 HA ARG A 62 -6.457 -5.155 -10.631 1.00 30.21 H new ATOM 0 HB2 ARG A 62 -4.707 -5.008 -12.670 1.00 63.22 H new ATOM 0 HB3 ARG A 62 -3.561 -4.913 -11.348 1.00 63.22 H new ATOM 0 HG2 ARG A 62 -4.713 -7.019 -10.402 1.00 63.51 H new ATOM 0 HG3 ARG A 62 -5.508 -7.153 -11.958 1.00 63.51 H new ATOM 0 HD2 ARG A 62 -2.518 -6.791 -11.889 1.00 55.34 H new ATOM 0 HD3 ARG A 62 -3.183 -8.362 -11.489 1.00 55.34 H new ATOM 0 HE ARG A 62 -4.468 -7.684 -13.862 1.00 33.12 H new ATOM 0 HH11 ARG A 62 -1.109 -7.965 -12.790 1.00 51.31 H new ATOM 0 HH12 ARG A 62 -0.518 -8.420 -14.391 1.00 51.31 H new ATOM 0 HH21 ARG A 62 -3.695 -8.272 -15.910 1.00 30.32 H new ATOM 0 HH22 ARG A 62 -1.974 -8.592 -16.148 1.00 30.32 H new ATOM 962 N VAL A 63 -4.002 -4.879 -8.955 1.00 5.03 N ATOM 963 CA VAL A 63 -3.386 -4.617 -7.657 1.00 24.54 C ATOM 964 C VAL A 63 -3.083 -3.129 -7.503 1.00 43.11 C ATOM 965 O VAL A 63 -2.367 -2.544 -8.315 1.00 13.12 O ATOM 966 CB VAL A 63 -2.081 -5.426 -7.489 1.00 31.41 C ATOM 967 CG1 VAL A 63 -1.240 -5.339 -8.751 1.00 3.53 C ATOM 968 CG2 VAL A 63 -1.285 -4.952 -6.279 1.00 23.12 C ATOM 0 H VAL A 63 -3.581 -5.650 -9.474 1.00 5.03 H new ATOM 0 HA VAL A 63 -4.092 -4.926 -6.886 1.00 24.54 H new ATOM 0 HB VAL A 63 -2.351 -6.468 -7.319 1.00 31.41 H new ATOM 0 HG11 VAL A 63 -0.324 -5.914 -8.618 1.00 3.53 H new ATOM 0 HG12 VAL A 63 -1.803 -5.743 -9.592 1.00 3.53 H new ATOM 0 HG13 VAL A 63 -0.989 -4.297 -8.950 1.00 3.53 H new ATOM 0 HG21 VAL A 63 -0.373 -5.542 -6.190 1.00 23.12 H new ATOM 0 HG22 VAL A 63 -1.026 -3.900 -6.403 1.00 23.12 H new ATOM 0 HG23 VAL A 63 -1.886 -5.074 -5.378 1.00 23.12 H new ATOM 978 N VAL A 64 -3.646 -2.523 -6.466 1.00 64.12 N ATOM 979 CA VAL A 64 -3.449 -1.103 -6.219 1.00 33.20 C ATOM 980 C VAL A 64 -2.588 -0.854 -4.986 1.00 54.35 C ATOM 981 O VAL A 64 -2.605 -1.629 -4.030 1.00 2.41 O ATOM 982 CB VAL A 64 -4.798 -0.381 -6.035 1.00 61.33 C ATOM 983 CG1 VAL A 64 -4.585 1.098 -5.739 1.00 71.13 C ATOM 984 CG2 VAL A 64 -5.674 -0.567 -7.265 1.00 23.14 C ATOM 0 H VAL A 64 -4.242 -2.993 -5.784 1.00 64.12 H new ATOM 0 HA VAL A 64 -2.935 -0.706 -7.094 1.00 33.20 H new ATOM 0 HB VAL A 64 -5.310 -0.824 -5.181 1.00 61.33 H new ATOM 0 HG11 VAL A 64 -5.551 1.587 -5.613 1.00 71.13 H new ATOM 0 HG12 VAL A 64 -4.002 1.206 -4.824 1.00 71.13 H new ATOM 0 HG13 VAL A 64 -4.049 1.561 -6.567 1.00 71.13 H new ATOM 0 HG21 VAL A 64 -6.623 -0.051 -7.118 1.00 23.14 H new ATOM 0 HG22 VAL A 64 -5.168 -0.154 -8.138 1.00 23.14 H new ATOM 0 HG23 VAL A 64 -5.860 -1.629 -7.422 1.00 23.14 H new ATOM 994 N ILE A 65 -1.853 0.252 -5.014 1.00 53.13 N ATOM 995 CA ILE A 65 -0.999 0.640 -3.903 1.00 64.23 C ATOM 996 C ILE A 65 -1.731 1.646 -3.020 1.00 64.25 C ATOM 997 O ILE A 65 -2.111 2.716 -3.484 1.00 74.41 O ATOM 998 CB ILE A 65 0.320 1.261 -4.410 1.00 34.00 C ATOM 999 CG1 ILE A 65 1.050 0.279 -5.327 1.00 43.52 C ATOM 1000 CG2 ILE A 65 1.213 1.668 -3.247 1.00 13.14 C ATOM 1001 CD1 ILE A 65 1.342 -1.055 -4.674 1.00 24.43 C ATOM 0 H ILE A 65 -1.833 0.899 -5.802 1.00 53.13 H new ATOM 0 HA ILE A 65 -0.760 -0.253 -3.326 1.00 64.23 H new ATOM 0 HB ILE A 65 0.078 2.158 -4.979 1.00 34.00 H new ATOM 0 HG12 ILE A 65 0.448 0.113 -6.221 1.00 43.52 H new ATOM 0 HG13 ILE A 65 1.988 0.728 -5.653 1.00 43.52 H new ATOM 0 HG21 ILE A 65 2.136 2.103 -3.632 1.00 13.14 H new ATOM 0 HG22 ILE A 65 0.695 2.403 -2.630 1.00 13.14 H new ATOM 0 HG23 ILE A 65 1.449 0.791 -2.645 1.00 13.14 H new ATOM 0 HD11 ILE A 65 1.861 -1.701 -5.382 1.00 24.43 H new ATOM 0 HD12 ILE A 65 1.970 -0.901 -3.796 1.00 24.43 H new ATOM 0 HD13 ILE A 65 0.406 -1.525 -4.373 1.00 24.43 H new ATOM 1013 N ALA A 66 -1.948 1.291 -1.757 1.00 64.35 N ATOM 1014 CA ALA A 66 -2.659 2.173 -0.829 1.00 14.51 C ATOM 1015 C ALA A 66 -1.809 2.535 0.388 1.00 73.12 C ATOM 1016 O ALA A 66 -0.751 1.949 0.624 1.00 3.24 O ATOM 1017 CB ALA A 66 -3.961 1.525 -0.383 1.00 0.23 C ATOM 0 H ALA A 66 -1.645 0.405 -1.352 1.00 64.35 H new ATOM 0 HA ALA A 66 -2.876 3.098 -1.362 1.00 14.51 H new ATOM 0 HB1 ALA A 66 -4.481 2.190 0.307 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -4.591 1.339 -1.253 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -3.745 0.581 0.117 1.00 0.23 H new ATOM 1023 N LYS A 67 -2.284 3.504 1.167 1.00 1.20 N ATOM 1024 CA LYS A 67 -1.567 3.938 2.361 1.00 52.23 C ATOM 1025 C LYS A 67 -2.508 4.584 3.366 1.00 31.31 C ATOM 1026 O LYS A 67 -3.611 5.011 3.023 1.00 24.30 O ATOM 1027 CB LYS A 67 -0.450 4.918 1.996 1.00 44.25 C ATOM 1028 CG LYS A 67 -0.919 6.093 1.153 1.00 70.43 C ATOM 1029 CD LYS A 67 0.249 6.958 0.703 1.00 21.32 C ATOM 1030 CE LYS A 67 0.335 8.247 1.504 1.00 75.00 C ATOM 1031 NZ LYS A 67 1.697 8.460 2.069 1.00 23.24 N ATOM 0 H LYS A 67 -3.158 4.001 0.993 1.00 1.20 H new ATOM 0 HA LYS A 67 -1.128 3.051 2.819 1.00 52.23 H new ATOM 0 HB2 LYS A 67 0.002 5.297 2.912 1.00 44.25 H new ATOM 0 HB3 LYS A 67 0.329 4.382 1.454 1.00 44.25 H new ATOM 0 HG2 LYS A 67 -1.457 5.724 0.280 1.00 70.43 H new ATOM 0 HG3 LYS A 67 -1.621 6.698 1.728 1.00 70.43 H new ATOM 0 HD2 LYS A 67 1.179 6.399 0.812 1.00 21.32 H new ATOM 0 HD3 LYS A 67 0.141 7.194 -0.356 1.00 21.32 H new ATOM 0 HE2 LYS A 67 0.071 9.090 0.865 1.00 75.00 H new ATOM 0 HE3 LYS A 67 -0.394 8.220 2.314 1.00 75.00 H new ATOM 0 HZ1 LYS A 67 1.626 8.626 3.093 1.00 23.24 H new ATOM 0 HZ2 LYS A 67 2.281 7.617 1.895 1.00 23.24 H new ATOM 0 HZ3 LYS A 67 2.136 9.285 1.614 1.00 23.24 H new ATOM 1045 N VAL A 68 -2.059 4.647 4.612 1.00 11.03 N ATOM 1046 CA VAL A 68 -2.846 5.234 5.684 1.00 72.45 C ATOM 1047 C VAL A 68 -1.942 5.828 6.759 1.00 32.14 C ATOM 1048 O VAL A 68 -0.818 5.370 6.957 1.00 51.32 O ATOM 1049 CB VAL A 68 -3.768 4.183 6.329 1.00 43.32 C ATOM 1050 CG1 VAL A 68 -2.943 3.115 7.032 1.00 42.24 C ATOM 1051 CG2 VAL A 68 -4.740 4.841 7.298 1.00 51.14 C ATOM 0 H VAL A 68 -1.147 4.296 4.905 1.00 11.03 H new ATOM 0 HA VAL A 68 -3.454 6.025 5.245 1.00 72.45 H new ATOM 0 HB VAL A 68 -4.350 3.704 5.541 1.00 43.32 H new ATOM 0 HG11 VAL A 68 -3.609 2.379 7.483 1.00 42.24 H new ATOM 0 HG12 VAL A 68 -2.294 2.622 6.308 1.00 42.24 H new ATOM 0 HG13 VAL A 68 -2.334 3.578 7.809 1.00 42.24 H new ATOM 0 HG21 VAL A 68 -5.382 4.080 7.742 1.00 51.14 H new ATOM 0 HG22 VAL A 68 -4.182 5.349 8.084 1.00 51.14 H new ATOM 0 HG23 VAL A 68 -5.353 5.565 6.762 1.00 51.14 H new ATOM 1061 N ASP A 69 -2.439 6.839 7.457 1.00 50.51 N ATOM 1062 CA ASP A 69 -1.670 7.476 8.516 1.00 43.22 C ATOM 1063 C ASP A 69 -1.836 6.713 9.826 1.00 5.23 C ATOM 1064 O ASP A 69 -2.916 6.695 10.413 1.00 5.32 O ATOM 1065 CB ASP A 69 -2.108 8.929 8.692 1.00 32.22 C ATOM 1066 CG ASP A 69 -0.931 9.870 8.854 1.00 4.11 C ATOM 1067 OD1 ASP A 69 -0.073 9.605 9.723 1.00 53.31 O ATOM 1068 OD2 ASP A 69 -0.866 10.873 8.113 1.00 42.00 O ATOM 0 H ASP A 69 -3.368 7.235 7.310 1.00 50.51 H new ATOM 0 HA ASP A 69 -0.617 7.461 8.235 1.00 43.22 H new ATOM 0 HB2 ASP A 69 -2.699 9.235 7.828 1.00 32.22 H new ATOM 0 HB3 ASP A 69 -2.756 9.007 9.565 1.00 32.22 H new ATOM 1073 N ALA A 70 -0.761 6.078 10.277 1.00 52.42 N ATOM 1074 CA ALA A 70 -0.790 5.307 11.516 1.00 24.21 C ATOM 1075 C ALA A 70 -0.874 6.209 12.747 1.00 22.35 C ATOM 1076 O ALA A 70 -0.947 5.721 13.875 1.00 53.45 O ATOM 1077 CB ALA A 70 0.437 4.410 11.602 1.00 61.12 C ATOM 0 H ALA A 70 0.143 6.081 9.804 1.00 52.42 H new ATOM 0 HA ALA A 70 -1.689 4.690 11.501 1.00 24.21 H new ATOM 0 HB1 ALA A 70 0.406 3.839 12.530 1.00 61.12 H new ATOM 0 HB2 ALA A 70 0.447 3.725 10.754 1.00 61.12 H new ATOM 0 HB3 ALA A 70 1.338 5.023 11.583 1.00 61.12 H new ATOM 1083 N THR A 71 -0.858 7.521 12.531 1.00 42.24 N ATOM 1084 CA THR A 71 -0.926 8.474 13.635 1.00 3.43 C ATOM 1085 C THR A 71 -2.085 9.456 13.466 1.00 33.43 C ATOM 1086 O THR A 71 -2.588 10.006 14.446 1.00 51.01 O ATOM 1087 CB THR A 71 0.392 9.243 13.748 1.00 25.35 C ATOM 1088 OG1 THR A 71 0.261 10.336 14.639 1.00 70.43 O ATOM 1089 CG2 THR A 71 0.886 9.785 12.423 1.00 30.12 C ATOM 0 H THR A 71 -0.799 7.947 11.606 1.00 42.24 H new ATOM 0 HA THR A 71 -1.099 7.906 14.549 1.00 3.43 H new ATOM 0 HB THR A 71 1.117 8.518 14.117 1.00 25.35 H new ATOM 0 HG1 THR A 71 1.115 10.814 14.699 1.00 70.43 H new ATOM 0 HG21 THR A 71 1.824 10.319 12.575 1.00 30.12 H new ATOM 0 HG22 THR A 71 1.047 8.960 11.729 1.00 30.12 H new ATOM 0 HG23 THR A 71 0.143 10.467 12.009 1.00 30.12 H new ATOM 1097 N ALA A 72 -2.499 9.684 12.223 1.00 0.30 N ATOM 1098 CA ALA A 72 -3.590 10.613 11.942 1.00 75.21 C ATOM 1099 C ALA A 72 -4.959 9.964 12.140 1.00 45.34 C ATOM 1100 O ALA A 72 -5.969 10.659 12.251 1.00 45.33 O ATOM 1101 CB ALA A 72 -3.467 11.158 10.528 1.00 51.24 C ATOM 0 H ALA A 72 -2.098 9.240 11.397 1.00 0.30 H new ATOM 0 HA ALA A 72 -3.511 11.435 12.653 1.00 75.21 H new ATOM 0 HB1 ALA A 72 -4.287 11.849 10.332 1.00 51.24 H new ATOM 0 HB2 ALA A 72 -2.517 11.682 10.421 1.00 51.24 H new ATOM 0 HB3 ALA A 72 -3.509 10.334 9.816 1.00 51.24 H new ATOM 1107 N ASN A 73 -4.994 8.636 12.180 1.00 1.30 N ATOM 1108 CA ASN A 73 -6.250 7.917 12.362 1.00 2.25 C ATOM 1109 C ASN A 73 -6.107 6.799 13.383 1.00 71.03 C ATOM 1110 O ASN A 73 -5.103 6.086 13.405 1.00 22.02 O ATOM 1111 CB ASN A 73 -6.729 7.325 11.034 1.00 15.54 C ATOM 1112 CG ASN A 73 -5.620 6.622 10.283 1.00 54.52 C ATOM 1113 OD1 ASN A 73 -5.227 5.509 10.630 1.00 72.24 O ATOM 1114 ND2 ASN A 73 -5.108 7.271 9.247 1.00 11.11 N ATOM 0 H ASN A 73 -4.172 8.039 12.089 1.00 1.30 H new ATOM 0 HA ASN A 73 -6.983 8.635 12.728 1.00 2.25 H new ATOM 0 HB2 ASN A 73 -7.539 6.620 11.224 1.00 15.54 H new ATOM 0 HB3 ASN A 73 -7.138 8.120 10.411 1.00 15.54 H new ATOM 0 HD21 ASN A 73 -4.357 6.849 8.701 1.00 11.11 H new ATOM 0 HD22 ASN A 73 -5.465 8.193 8.995 1.00 11.11 H new ATOM 1121 N ASP A 74 -7.131 6.635 14.208 1.00 10.14 N ATOM 1122 CA ASP A 74 -7.137 5.583 15.212 1.00 32.42 C ATOM 1123 C ASP A 74 -7.649 4.292 14.591 1.00 31.33 C ATOM 1124 O ASP A 74 -8.848 4.016 14.604 1.00 44.21 O ATOM 1125 CB ASP A 74 -8.009 5.975 16.405 1.00 3.14 C ATOM 1126 CG ASP A 74 -9.375 6.483 15.985 1.00 10.31 C ATOM 1127 OD1 ASP A 74 -9.724 6.338 14.794 1.00 34.45 O ATOM 1128 OD2 ASP A 74 -10.097 7.027 16.848 1.00 5.34 O ATOM 0 H ASP A 74 -7.968 7.218 14.201 1.00 10.14 H new ATOM 0 HA ASP A 74 -6.119 5.435 15.571 1.00 32.42 H new ATOM 0 HB2 ASP A 74 -8.132 5.112 17.060 1.00 3.14 H new ATOM 0 HB3 ASP A 74 -7.501 6.746 16.984 1.00 3.14 H new ATOM 1133 N VAL A 75 -6.733 3.513 14.034 1.00 53.50 N ATOM 1134 CA VAL A 75 -7.088 2.258 13.390 1.00 63.22 C ATOM 1135 C VAL A 75 -7.339 1.159 14.420 1.00 35.25 C ATOM 1136 O VAL A 75 -6.787 1.189 15.520 1.00 64.10 O ATOM 1137 CB VAL A 75 -5.989 1.810 12.403 1.00 4.11 C ATOM 1138 CG1 VAL A 75 -5.702 2.913 11.387 1.00 33.13 C ATOM 1139 CG2 VAL A 75 -4.720 1.420 13.148 1.00 12.01 C ATOM 0 H VAL A 75 -5.736 3.729 14.015 1.00 53.50 H new ATOM 0 HA VAL A 75 -8.010 2.429 12.834 1.00 63.22 H new ATOM 0 HB VAL A 75 -6.348 0.932 11.865 1.00 4.11 H new ATOM 0 HG11 VAL A 75 -4.925 2.581 10.699 1.00 33.13 H new ATOM 0 HG12 VAL A 75 -6.610 3.138 10.828 1.00 33.13 H new ATOM 0 HG13 VAL A 75 -5.366 3.809 11.908 1.00 33.13 H new ATOM 0 HG21 VAL A 75 -3.959 1.108 12.432 1.00 12.01 H new ATOM 0 HG22 VAL A 75 -4.354 2.275 13.716 1.00 12.01 H new ATOM 0 HG23 VAL A 75 -4.936 0.597 13.830 1.00 12.01 H new ATOM 1149 N PRO A 76 -8.186 0.173 14.077 1.00 60.33 N ATOM 1150 CA PRO A 76 -8.515 -0.937 14.978 1.00 75.42 C ATOM 1151 C PRO A 76 -7.311 -1.824 15.274 1.00 43.21 C ATOM 1152 O PRO A 76 -7.173 -2.351 16.378 1.00 21.12 O ATOM 1153 CB PRO A 76 -9.584 -1.723 14.212 1.00 73.42 C ATOM 1154 CG PRO A 76 -9.383 -1.354 12.782 1.00 11.44 C ATOM 1155 CD PRO A 76 -8.889 0.065 12.787 1.00 24.22 C ATOM 0 HA PRO A 76 -8.850 -0.579 15.952 1.00 75.42 H new ATOM 0 HB2 PRO A 76 -9.469 -2.796 14.363 1.00 73.42 H new ATOM 0 HB3 PRO A 76 -10.586 -1.460 14.551 1.00 73.42 H new ATOM 0 HG2 PRO A 76 -8.661 -2.017 12.306 1.00 11.44 H new ATOM 0 HG3 PRO A 76 -10.314 -1.441 12.222 1.00 11.44 H new ATOM 0 HD2 PRO A 76 -8.222 0.262 11.948 1.00 24.22 H new ATOM 0 HD3 PRO A 76 -9.711 0.778 12.715 1.00 24.22 H new ATOM 1163 N ASP A 77 -6.442 -1.985 14.283 1.00 62.52 N ATOM 1164 CA ASP A 77 -5.250 -2.809 14.441 1.00 21.44 C ATOM 1165 C ASP A 77 -4.167 -2.058 15.210 1.00 3.52 C ATOM 1166 O ASP A 77 -3.587 -1.096 14.705 1.00 0.40 O ATOM 1167 CB ASP A 77 -4.718 -3.243 13.073 1.00 64.14 C ATOM 1168 CG ASP A 77 -4.919 -4.724 12.818 1.00 73.22 C ATOM 1169 OD1 ASP A 77 -5.805 -5.322 13.465 1.00 20.50 O ATOM 1170 OD2 ASP A 77 -4.191 -5.285 11.973 1.00 31.34 O ATOM 0 H ASP A 77 -6.540 -1.556 13.363 1.00 62.52 H new ATOM 0 HA ASP A 77 -5.525 -3.696 15.012 1.00 21.44 H new ATOM 0 HB2 ASP A 77 -5.220 -2.671 12.293 1.00 64.14 H new ATOM 0 HB3 ASP A 77 -3.656 -3.007 13.008 1.00 64.14 H new ATOM 1253 N PRO A 83 6.327 2.740 11.261 1.00 3.04 N ATOM 1254 CA PRO A 83 5.188 2.450 10.385 1.00 54.24 C ATOM 1255 C PRO A 83 5.020 0.957 10.126 1.00 11.33 C ATOM 1256 O PRO A 83 5.649 0.131 10.788 1.00 42.02 O ATOM 1257 CB PRO A 83 5.524 3.188 9.082 1.00 3.23 C ATOM 1258 CG PRO A 83 6.749 3.997 9.369 1.00 1.32 C ATOM 1259 CD PRO A 83 7.445 3.317 10.511 1.00 54.44 C ATOM 0 HA PRO A 83 4.247 2.769 10.833 1.00 54.24 H new ATOM 0 HB2 PRO A 83 5.703 2.483 8.270 1.00 3.23 H new ATOM 0 HB3 PRO A 83 4.698 3.828 8.772 1.00 3.23 H new ATOM 0 HG2 PRO A 83 7.396 4.047 8.493 1.00 1.32 H new ATOM 0 HG3 PRO A 83 6.486 5.022 9.629 1.00 1.32 H new ATOM 0 HD2 PRO A 83 8.140 2.552 10.166 1.00 54.44 H new ATOM 0 HD3 PRO A 83 8.019 4.021 11.114 1.00 54.44 H new ATOM 1267 N THR A 84 4.162 0.612 9.169 1.00 2.41 N ATOM 1268 CA THR A 84 3.915 -0.792 8.844 1.00 41.24 C ATOM 1269 C THR A 84 3.368 -0.937 7.427 1.00 32.43 C ATOM 1270 O THR A 84 2.681 -0.054 6.930 1.00 60.21 O ATOM 1271 CB THR A 84 2.927 -1.394 9.851 1.00 10.10 C ATOM 1272 OG1 THR A 84 3.433 -1.288 11.170 1.00 22.31 O ATOM 1273 CG2 THR A 84 2.611 -2.854 9.599 1.00 53.53 C ATOM 0 H THR A 84 3.630 1.278 8.609 1.00 2.41 H new ATOM 0 HA THR A 84 4.862 -1.329 8.901 1.00 41.24 H new ATOM 0 HB THR A 84 2.009 -0.819 9.726 1.00 10.10 H new ATOM 0 HG1 THR A 84 4.392 -1.088 11.137 1.00 22.31 H new ATOM 0 HG21 THR A 84 1.906 -3.209 10.351 1.00 53.53 H new ATOM 0 HG22 THR A 84 2.171 -2.965 8.608 1.00 53.53 H new ATOM 0 HG23 THR A 84 3.528 -3.440 9.656 1.00 53.53 H new ATOM 1281 N ILE A 85 3.670 -2.060 6.783 1.00 60.42 N ATOM 1282 CA ILE A 85 3.194 -2.311 5.428 1.00 22.33 C ATOM 1283 C ILE A 85 2.398 -3.611 5.365 1.00 73.34 C ATOM 1284 O ILE A 85 2.957 -4.699 5.306 1.00 71.15 O ATOM 1285 CB ILE A 85 4.356 -2.368 4.420 1.00 41.20 C ATOM 1286 CG1 ILE A 85 5.223 -1.109 4.550 1.00 4.04 C ATOM 1287 CG2 ILE A 85 3.814 -2.521 3.006 1.00 44.35 C ATOM 1288 CD1 ILE A 85 5.991 -0.753 3.294 1.00 54.43 C ATOM 0 H ILE A 85 4.240 -2.808 7.177 1.00 60.42 H new ATOM 0 HA ILE A 85 2.544 -1.479 5.157 1.00 22.33 H new ATOM 0 HB ILE A 85 4.981 -3.235 4.637 1.00 41.20 H new ATOM 0 HG12 ILE A 85 4.585 -0.268 4.823 1.00 4.04 H new ATOM 0 HG13 ILE A 85 5.930 -1.251 5.367 1.00 4.04 H new ATOM 0 HG21 ILE A 85 4.644 -2.560 2.300 1.00 44.35 H new ATOM 0 HG22 ILE A 85 3.234 -3.441 2.936 1.00 44.35 H new ATOM 0 HG23 ILE A 85 3.175 -1.671 2.767 1.00 44.35 H new ATOM 0 HD11 ILE A 85 6.578 0.148 3.470 1.00 54.43 H new ATOM 0 HD12 ILE A 85 6.657 -1.574 3.030 1.00 54.43 H new ATOM 0 HD13 ILE A 85 5.291 -0.576 2.477 1.00 54.43 H new ATOM 1300 N LYS A 86 1.085 -3.479 5.380 1.00 3.11 N ATOM 1301 CA LYS A 86 0.193 -4.633 5.337 1.00 60.53 C ATOM 1302 C LYS A 86 -0.387 -4.833 3.942 1.00 52.11 C ATOM 1303 O LYS A 86 -0.913 -3.900 3.336 1.00 22.13 O ATOM 1304 CB LYS A 86 -0.938 -4.467 6.353 1.00 33.22 C ATOM 1305 CG LYS A 86 -0.491 -4.638 7.795 1.00 12.03 C ATOM 1306 CD LYS A 86 -1.530 -4.107 8.770 1.00 13.41 C ATOM 1307 CE LYS A 86 -1.637 -4.990 10.003 1.00 71.15 C ATOM 1308 NZ LYS A 86 -1.867 -4.192 11.239 1.00 24.02 N ATOM 0 H LYS A 86 0.606 -2.580 5.422 1.00 3.11 H new ATOM 0 HA LYS A 86 0.778 -5.517 5.592 1.00 60.53 H new ATOM 0 HB2 LYS A 86 -1.380 -3.478 6.233 1.00 33.22 H new ATOM 0 HB3 LYS A 86 -1.720 -5.194 6.135 1.00 33.22 H new ATOM 0 HG2 LYS A 86 -0.308 -5.693 7.997 1.00 12.03 H new ATOM 0 HG3 LYS A 86 0.453 -4.115 7.948 1.00 12.03 H new ATOM 0 HD2 LYS A 86 -1.266 -3.093 9.069 1.00 13.41 H new ATOM 0 HD3 LYS A 86 -2.500 -4.051 8.276 1.00 13.41 H new ATOM 0 HE2 LYS A 86 -2.454 -5.700 9.872 1.00 71.15 H new ATOM 0 HE3 LYS A 86 -0.723 -5.573 10.112 1.00 71.15 H new ATOM 0 HZ1 LYS A 86 -1.034 -4.263 11.858 1.00 24.02 H new ATOM 0 HZ2 LYS A 86 -2.025 -3.196 10.985 1.00 24.02 H new ATOM 0 HZ3 LYS A 86 -2.702 -4.559 11.739 1.00 24.02 H new ATOM 1322 N LEU A 87 -0.279 -6.057 3.439 1.00 25.44 N ATOM 1323 CA LEU A 87 -0.785 -6.384 2.112 1.00 13.34 C ATOM 1324 C LEU A 87 -2.099 -7.149 2.199 1.00 25.24 C ATOM 1325 O LEU A 87 -2.116 -8.335 2.526 1.00 31.53 O ATOM 1326 CB LEU A 87 0.250 -7.217 1.361 1.00 63.02 C ATOM 1327 CG LEU A 87 -0.109 -7.612 -0.084 1.00 64.25 C ATOM 1328 CD1 LEU A 87 -1.064 -8.791 -0.087 1.00 33.42 C ATOM 1329 CD2 LEU A 87 -0.723 -6.437 -0.834 1.00 30.13 C ATOM 0 H LEU A 87 0.154 -6.839 3.930 1.00 25.44 H new ATOM 0 HA LEU A 87 -0.969 -5.454 1.575 1.00 13.34 H new ATOM 0 HB2 LEU A 87 1.187 -6.661 1.341 1.00 63.02 H new ATOM 0 HB3 LEU A 87 0.433 -8.129 1.929 1.00 63.02 H new ATOM 0 HG LEU A 87 0.810 -7.900 -0.594 1.00 64.25 H new ATOM 0 HD11 LEU A 87 -1.309 -9.059 -1.115 1.00 33.42 H new ATOM 0 HD12 LEU A 87 -0.594 -9.641 0.407 1.00 33.42 H new ATOM 0 HD13 LEU A 87 -1.977 -8.521 0.445 1.00 33.42 H new ATOM 0 HD21 LEU A 87 -0.967 -6.742 -1.851 1.00 30.13 H new ATOM 0 HD22 LEU A 87 -1.631 -6.114 -0.324 1.00 30.13 H new ATOM 0 HD23 LEU A 87 -0.011 -5.612 -0.864 1.00 30.13 H new ATOM 1341 N TYR A 88 -3.198 -6.467 1.894 1.00 32.44 N ATOM 1342 CA TYR A 88 -4.512 -7.094 1.927 1.00 20.25 C ATOM 1343 C TYR A 88 -4.897 -7.587 0.537 1.00 64.41 C ATOM 1344 O TYR A 88 -5.464 -6.838 -0.259 1.00 42.44 O ATOM 1345 CB TYR A 88 -5.572 -6.115 2.430 1.00 52.13 C ATOM 1346 CG TYR A 88 -5.515 -5.850 3.918 1.00 21.13 C ATOM 1347 CD1 TYR A 88 -4.429 -5.194 4.482 1.00 73.15 C ATOM 1348 CD2 TYR A 88 -6.547 -6.251 4.756 1.00 30.13 C ATOM 1349 CE1 TYR A 88 -4.372 -4.945 5.840 1.00 54.40 C ATOM 1350 CE2 TYR A 88 -6.498 -6.005 6.115 1.00 35.44 C ATOM 1351 CZ TYR A 88 -5.409 -5.352 6.652 1.00 1.22 C ATOM 1352 OH TYR A 88 -5.354 -5.113 8.004 1.00 3.10 O ATOM 0 H TYR A 88 -3.204 -5.484 1.622 1.00 32.44 H new ATOM 0 HA TYR A 88 -4.462 -7.940 2.612 1.00 20.25 H new ATOM 0 HB2 TYR A 88 -5.458 -5.170 1.899 1.00 52.13 H new ATOM 0 HB3 TYR A 88 -6.559 -6.505 2.179 1.00 52.13 H new ATOM 0 HD1 TYR A 88 -3.615 -4.873 3.849 1.00 73.15 H new ATOM 0 HD2 TYR A 88 -7.402 -6.763 4.339 1.00 30.13 H new ATOM 0 HE1 TYR A 88 -3.520 -4.434 6.263 1.00 54.40 H new ATOM 0 HE2 TYR A 88 -7.309 -6.323 6.753 1.00 35.44 H new ATOM 0 HH TYR A 88 -6.253 -4.912 8.337 1.00 3.10 H new ATOM 1362 N PRO A 89 -4.599 -8.858 0.221 1.00 54.33 N ATOM 1363 CA PRO A 89 -4.921 -9.442 -1.080 1.00 44.12 C ATOM 1364 C PRO A 89 -6.399 -9.363 -1.386 1.00 5.24 C ATOM 1365 O PRO A 89 -7.198 -8.934 -0.554 1.00 54.43 O ATOM 1366 CB PRO A 89 -4.517 -10.915 -0.934 1.00 1.30 C ATOM 1367 CG PRO A 89 -4.391 -11.137 0.531 1.00 52.43 C ATOM 1368 CD PRO A 89 -3.935 -9.830 1.096 1.00 64.41 C ATOM 0 HA PRO A 89 -4.411 -8.917 -1.888 1.00 44.12 H new ATOM 0 HB2 PRO A 89 -5.267 -11.575 -1.370 1.00 1.30 H new ATOM 0 HB3 PRO A 89 -3.577 -11.119 -1.446 1.00 1.30 H new ATOM 0 HG2 PRO A 89 -5.343 -11.441 0.965 1.00 52.43 H new ATOM 0 HG3 PRO A 89 -3.675 -11.929 0.748 1.00 52.43 H new ATOM 0 HD2 PRO A 89 -4.235 -9.711 2.137 1.00 64.41 H new ATOM 0 HD3 PRO A 89 -2.850 -9.730 1.064 1.00 64.41 H new ATOM 1376 N ALA A 90 -6.763 -9.821 -2.570 1.00 0.43 N ATOM 1377 CA ALA A 90 -8.156 -9.842 -2.959 1.00 75.24 C ATOM 1378 C ALA A 90 -8.720 -11.221 -2.690 1.00 45.22 C ATOM 1379 O ALA A 90 -9.283 -11.873 -3.569 1.00 1.13 O ATOM 1380 CB ALA A 90 -8.322 -9.454 -4.421 1.00 33.05 C ATOM 0 H ALA A 90 -6.117 -10.180 -3.272 1.00 0.43 H new ATOM 0 HA ALA A 90 -8.707 -9.108 -2.371 1.00 75.24 H new ATOM 0 HB1 ALA A 90 -9.379 -9.478 -4.686 1.00 33.05 H new ATOM 0 HB2 ALA A 90 -7.932 -8.448 -4.577 1.00 33.05 H new ATOM 0 HB3 ALA A 90 -7.774 -10.157 -5.048 1.00 33.05 H new ATOM 1386 N GLY A 91 -8.546 -11.652 -1.449 1.00 72.10 N ATOM 1387 CA GLY A 91 -9.019 -12.954 -1.029 1.00 72.44 C ATOM 1388 C GLY A 91 -8.513 -13.316 0.351 1.00 51.35 C ATOM 1389 O GLY A 91 -9.116 -14.133 1.048 1.00 44.12 O ATOM 0 H GLY A 91 -8.080 -11.115 -0.718 1.00 72.10 H new ATOM 0 HA2 GLY A 91 -10.109 -12.963 -1.031 1.00 72.44 H new ATOM 0 HA3 GLY A 91 -8.693 -13.708 -1.745 1.00 72.44 H new ATOM 1393 N ALA A 92 -7.401 -12.701 0.752 1.00 43.32 N ATOM 1394 CA ALA A 92 -6.819 -12.960 2.064 1.00 72.41 C ATOM 1395 C ALA A 92 -6.698 -11.669 2.870 1.00 74.42 C ATOM 1396 O ALA A 92 -5.699 -11.437 3.550 1.00 70.33 O ATOM 1397 CB ALA A 92 -5.462 -13.636 1.917 1.00 31.53 C ATOM 0 H ALA A 92 -6.888 -12.023 0.188 1.00 43.32 H new ATOM 0 HA ALA A 92 -7.482 -13.633 2.608 1.00 72.41 H new ATOM 0 HB1 ALA A 92 -5.040 -13.823 2.904 1.00 31.53 H new ATOM 0 HB2 ALA A 92 -5.582 -14.582 1.389 1.00 31.53 H new ATOM 0 HB3 ALA A 92 -4.792 -12.988 1.353 1.00 31.53 H new ATOM 1403 N LYS A 93 -7.731 -10.834 2.790 1.00 63.44 N ATOM 1404 CA LYS A 93 -7.759 -9.564 3.511 1.00 62.03 C ATOM 1405 C LYS A 93 -7.844 -9.785 5.026 1.00 52.40 C ATOM 1406 O LYS A 93 -7.819 -8.829 5.801 1.00 73.44 O ATOM 1407 CB LYS A 93 -8.946 -8.717 3.030 1.00 51.10 C ATOM 1408 CG LYS A 93 -10.269 -9.050 3.709 1.00 74.33 C ATOM 1409 CD LYS A 93 -10.640 -10.513 3.531 1.00 31.12 C ATOM 1410 CE LYS A 93 -11.053 -10.813 2.099 1.00 50.44 C ATOM 1411 NZ LYS A 93 -11.395 -12.250 1.909 1.00 73.13 N ATOM 0 H LYS A 93 -8.564 -11.015 2.230 1.00 63.44 H new ATOM 0 HA LYS A 93 -6.830 -9.034 3.303 1.00 62.03 H new ATOM 0 HB2 LYS A 93 -8.719 -7.665 3.199 1.00 51.10 H new ATOM 0 HB3 LYS A 93 -9.060 -8.849 1.954 1.00 51.10 H new ATOM 0 HG2 LYS A 93 -10.201 -8.819 4.772 1.00 74.33 H new ATOM 0 HG3 LYS A 93 -11.058 -8.422 3.296 1.00 74.33 H new ATOM 0 HD2 LYS A 93 -9.792 -11.140 3.805 1.00 31.12 H new ATOM 0 HD3 LYS A 93 -11.456 -10.767 4.207 1.00 31.12 H new ATOM 0 HE2 LYS A 93 -11.912 -10.197 1.832 1.00 50.44 H new ATOM 0 HE3 LYS A 93 -10.243 -10.540 1.423 1.00 50.44 H new ATOM 0 HZ1 LYS A 93 -11.846 -12.380 0.981 1.00 73.13 H new ATOM 0 HZ2 LYS A 93 -10.528 -12.822 1.956 1.00 73.13 H new ATOM 0 HZ3 LYS A 93 -12.050 -12.553 2.658 1.00 73.13 H new ATOM 1425 N GLY A 94 -7.941 -11.049 5.441 1.00 31.24 N ATOM 1426 CA GLY A 94 -8.024 -11.366 6.854 1.00 21.30 C ATOM 1427 C GLY A 94 -6.674 -11.729 7.436 1.00 43.25 C ATOM 1428 O GLY A 94 -6.460 -11.617 8.644 1.00 34.03 O ATOM 0 H GLY A 94 -7.963 -11.858 4.820 1.00 31.24 H new ATOM 0 HA2 GLY A 94 -8.433 -10.512 7.393 1.00 21.30 H new ATOM 0 HA3 GLY A 94 -8.716 -12.196 6.999 1.00 21.30 H new ATOM 1432 N GLN A 95 -5.754 -12.147 6.571 1.00 30.14 N ATOM 1433 CA GLN A 95 -4.416 -12.505 6.997 1.00 32.12 C ATOM 1434 C GLN A 95 -3.371 -11.805 6.126 1.00 35.41 C ATOM 1435 O GLN A 95 -2.421 -12.430 5.655 1.00 1.14 O ATOM 1436 CB GLN A 95 -4.247 -14.023 6.929 1.00 22.32 C ATOM 1437 CG GLN A 95 -4.054 -14.564 5.518 1.00 60.44 C ATOM 1438 CD GLN A 95 -2.669 -15.141 5.298 1.00 22.42 C ATOM 1439 OE1 GLN A 95 -1.970 -15.488 6.249 1.00 5.02 O ATOM 1440 NE2 GLN A 95 -2.266 -15.245 4.037 1.00 12.52 N ATOM 0 H GLN A 95 -5.917 -12.244 5.569 1.00 30.14 H new ATOM 0 HA GLN A 95 -4.269 -12.178 8.026 1.00 32.12 H new ATOM 0 HB2 GLN A 95 -3.389 -14.310 7.537 1.00 22.32 H new ATOM 0 HB3 GLN A 95 -5.124 -14.496 7.371 1.00 22.32 H new ATOM 0 HG2 GLN A 95 -4.800 -15.335 5.324 1.00 60.44 H new ATOM 0 HG3 GLN A 95 -4.228 -13.763 4.799 1.00 60.44 H new ATOM 0 HE21 GLN A 95 -2.879 -14.945 3.279 1.00 12.52 H new ATOM 0 HE22 GLN A 95 -1.343 -15.625 3.826 1.00 12.52 H new ATOM 1449 N PRO A 96 -3.538 -10.487 5.907 1.00 24.22 N ATOM 1450 CA PRO A 96 -2.614 -9.687 5.098 1.00 41.01 C ATOM 1451 C PRO A 96 -1.156 -9.943 5.441 1.00 1.53 C ATOM 1452 O PRO A 96 -0.847 -10.729 6.336 1.00 11.13 O ATOM 1453 CB PRO A 96 -2.967 -8.261 5.496 1.00 75.41 C ATOM 1454 CG PRO A 96 -4.409 -8.309 5.833 1.00 12.13 C ATOM 1455 CD PRO A 96 -4.655 -9.668 6.424 1.00 13.13 C ATOM 0 HA PRO A 96 -2.713 -9.914 4.037 1.00 41.01 H new ATOM 0 HB2 PRO A 96 -2.373 -7.929 6.347 1.00 75.41 H new ATOM 0 HB3 PRO A 96 -2.774 -7.563 4.681 1.00 75.41 H new ATOM 0 HG2 PRO A 96 -4.670 -7.523 6.542 1.00 12.13 H new ATOM 0 HG3 PRO A 96 -5.022 -8.154 4.945 1.00 12.13 H new ATOM 0 HD2 PRO A 96 -4.656 -9.636 7.514 1.00 13.13 H new ATOM 0 HD3 PRO A 96 -5.621 -10.069 6.116 1.00 13.13 H new ATOM 1463 N VAL A 97 -0.256 -9.247 4.751 1.00 3.32 N ATOM 1464 CA VAL A 97 1.153 -9.387 5.023 1.00 62.24 C ATOM 1465 C VAL A 97 1.672 -8.135 5.702 1.00 12.14 C ATOM 1466 O VAL A 97 2.208 -7.239 5.049 1.00 15.12 O ATOM 1467 CB VAL A 97 1.966 -9.649 3.746 1.00 14.00 C ATOM 1468 CG1 VAL A 97 3.434 -9.865 4.089 1.00 44.42 C ATOM 1469 CG2 VAL A 97 1.401 -10.842 2.989 1.00 64.03 C ATOM 0 H VAL A 97 -0.485 -8.588 4.007 1.00 3.32 H new ATOM 0 HA VAL A 97 1.274 -10.249 5.678 1.00 62.24 H new ATOM 0 HB VAL A 97 1.893 -8.775 3.099 1.00 14.00 H new ATOM 0 HG11 VAL A 97 3.998 -10.050 3.175 1.00 44.42 H new ATOM 0 HG12 VAL A 97 3.826 -8.977 4.584 1.00 44.42 H new ATOM 0 HG13 VAL A 97 3.530 -10.723 4.754 1.00 44.42 H new ATOM 0 HG21 VAL A 97 1.989 -11.013 2.087 1.00 64.03 H new ATOM 0 HG22 VAL A 97 1.443 -11.728 3.623 1.00 64.03 H new ATOM 0 HG23 VAL A 97 0.366 -10.641 2.714 1.00 64.03 H new ATOM 1479 N THR A 98 1.501 -8.080 7.017 1.00 41.44 N ATOM 1480 CA THR A 98 1.960 -6.941 7.796 1.00 64.43 C ATOM 1481 C THR A 98 3.473 -6.837 7.686 1.00 21.02 C ATOM 1482 O THR A 98 4.174 -7.849 7.705 1.00 30.03 O ATOM 1483 CB THR A 98 1.534 -7.083 9.256 1.00 34.02 C ATOM 1484 OG1 THR A 98 2.044 -6.015 10.034 1.00 24.31 O ATOM 1485 CG2 THR A 98 1.994 -8.377 9.891 1.00 50.13 C ATOM 0 H THR A 98 1.048 -8.811 7.565 1.00 41.44 H new ATOM 0 HA THR A 98 1.508 -6.030 7.404 1.00 64.43 H new ATOM 0 HB THR A 98 0.444 -7.074 9.241 1.00 34.02 H new ATOM 0 HG1 THR A 98 1.759 -6.123 10.965 1.00 24.31 H new ATOM 0 HG21 THR A 98 1.658 -8.413 10.927 1.00 50.13 H new ATOM 0 HG22 THR A 98 1.574 -9.221 9.343 1.00 50.13 H new ATOM 0 HG23 THR A 98 3.082 -8.431 9.860 1.00 50.13 H new ATOM 1493 N TYR A 99 3.970 -5.623 7.526 1.00 11.02 N ATOM 1494 CA TYR A 99 5.398 -5.415 7.361 1.00 35.40 C ATOM 1495 C TYR A 99 5.892 -4.202 8.143 1.00 21.30 C ATOM 1496 O TYR A 99 5.112 -3.511 8.794 1.00 23.13 O ATOM 1497 CB TYR A 99 5.695 -5.253 5.872 1.00 10.30 C ATOM 1498 CG TYR A 99 6.585 -6.336 5.312 1.00 52.22 C ATOM 1499 CD1 TYR A 99 6.045 -7.549 4.894 1.00 32.43 C ATOM 1500 CD2 TYR A 99 7.957 -6.154 5.203 1.00 4.22 C ATOM 1501 CE1 TYR A 99 6.851 -8.548 4.383 1.00 14.41 C ATOM 1502 CE2 TYR A 99 8.769 -7.149 4.692 1.00 35.13 C ATOM 1503 CZ TYR A 99 8.212 -8.343 4.284 1.00 52.53 C ATOM 1504 OH TYR A 99 9.018 -9.335 3.775 1.00 43.14 O ATOM 0 H TYR A 99 3.410 -4.771 7.507 1.00 11.02 H new ATOM 0 HA TYR A 99 5.928 -6.280 7.759 1.00 35.40 H new ATOM 0 HB2 TYR A 99 4.754 -5.246 5.321 1.00 10.30 H new ATOM 0 HB3 TYR A 99 6.168 -4.285 5.708 1.00 10.30 H new ATOM 0 HD1 TYR A 99 4.980 -7.712 4.970 1.00 32.43 H new ATOM 0 HD2 TYR A 99 8.397 -5.221 5.522 1.00 4.22 H new ATOM 0 HE1 TYR A 99 6.418 -9.484 4.063 1.00 14.41 H new ATOM 0 HE2 TYR A 99 9.835 -6.992 4.613 1.00 35.13 H new ATOM 0 HH TYR A 99 9.949 -9.030 3.772 1.00 43.14 H new ATOM 1514 N SER A 100 7.197 -3.953 8.075 1.00 31.31 N ATOM 1515 CA SER A 100 7.798 -2.825 8.779 1.00 32.14 C ATOM 1516 C SER A 100 8.600 -1.940 7.826 1.00 23.31 C ATOM 1517 O SER A 100 9.479 -1.192 8.254 1.00 62.10 O ATOM 1518 CB SER A 100 8.701 -3.326 9.907 1.00 40.51 C ATOM 1519 OG SER A 100 8.168 -4.494 10.506 1.00 1.21 O ATOM 0 H SER A 100 7.858 -4.517 7.540 1.00 31.31 H new ATOM 0 HA SER A 100 6.991 -2.227 9.202 1.00 32.14 H new ATOM 0 HB2 SER A 100 9.696 -3.536 9.514 1.00 40.51 H new ATOM 0 HB3 SER A 100 8.814 -2.546 10.660 1.00 40.51 H new ATOM 0 HG SER A 100 8.764 -4.795 11.223 1.00 1.21 H new ATOM 1525 N GLY A 101 8.292 -2.025 6.534 1.00 13.00 N ATOM 1526 CA GLY A 101 8.995 -1.221 5.551 1.00 32.02 C ATOM 1527 C GLY A 101 10.119 -1.976 4.869 1.00 62.13 C ATOM 1528 O GLY A 101 10.526 -3.045 5.324 1.00 15.31 O ATOM 0 H GLY A 101 7.570 -2.635 6.152 1.00 13.00 H new ATOM 0 HA2 GLY A 101 8.287 -0.875 4.798 1.00 32.02 H new ATOM 0 HA3 GLY A 101 9.402 -0.334 6.037 1.00 32.02 H new ATOM 1532 N SER A 102 10.620 -1.416 3.771 1.00 50.31 N ATOM 1533 CA SER A 102 11.705 -2.038 3.018 1.00 71.21 C ATOM 1534 C SER A 102 12.517 -0.991 2.260 1.00 63.42 C ATOM 1535 O SER A 102 13.744 -1.068 2.201 1.00 24.21 O ATOM 1536 CB SER A 102 11.147 -3.070 2.036 1.00 23.50 C ATOM 1537 OG SER A 102 10.636 -4.202 2.718 1.00 75.23 O ATOM 0 H SER A 102 10.291 -0.532 3.383 1.00 50.31 H new ATOM 0 HA SER A 102 12.363 -2.538 3.729 1.00 71.21 H new ATOM 0 HB2 SER A 102 10.358 -2.616 1.437 1.00 23.50 H new ATOM 0 HB3 SER A 102 11.932 -3.381 1.346 1.00 23.50 H new ATOM 0 HG SER A 102 10.662 -4.041 3.684 1.00 75.23 H new ATOM 1543 N ARG A 103 11.821 -0.018 1.675 1.00 13.43 N ATOM 1544 CA ARG A 103 12.469 1.047 0.911 1.00 74.42 C ATOM 1545 C ARG A 103 12.928 0.535 -0.450 1.00 52.14 C ATOM 1546 O ARG A 103 13.879 1.055 -1.034 1.00 2.14 O ATOM 1547 CB ARG A 103 13.659 1.628 1.683 1.00 32.55 C ATOM 1548 CG ARG A 103 13.367 1.884 3.154 1.00 62.25 C ATOM 1549 CD ARG A 103 14.516 1.427 4.040 1.00 24.05 C ATOM 1550 NE ARG A 103 15.790 2.015 3.631 1.00 31.04 N ATOM 1551 CZ ARG A 103 16.977 1.537 3.996 1.00 1.13 C ATOM 1552 NH1 ARG A 103 17.059 0.465 4.775 1.00 72.31 N ATOM 1553 NH2 ARG A 103 18.087 2.132 3.581 1.00 73.50 N ATOM 0 H ARG A 103 10.804 0.055 1.716 1.00 13.43 H new ATOM 0 HA ARG A 103 11.736 1.839 0.757 1.00 74.42 H new ATOM 0 HB2 ARG A 103 14.502 0.942 1.603 1.00 32.55 H new ATOM 0 HB3 ARG A 103 13.963 2.564 1.214 1.00 32.55 H new ATOM 0 HG2 ARG A 103 13.187 2.948 3.310 1.00 62.25 H new ATOM 0 HG3 ARG A 103 12.455 1.361 3.441 1.00 62.25 H new ATOM 0 HD2 ARG A 103 14.307 1.699 5.074 1.00 24.05 H new ATOM 0 HD3 ARG A 103 14.591 0.340 4.005 1.00 24.05 H new ATOM 0 HE ARG A 103 15.768 2.840 3.031 1.00 31.04 H new ATOM 0 HH11 ARG A 103 16.209 0.003 5.097 1.00 72.31 H new ATOM 0 HH12 ARG A 103 17.972 0.104 5.051 1.00 72.31 H new ATOM 0 HH21 ARG A 103 18.031 2.956 2.982 1.00 73.50 H new ATOM 0 HH22 ARG A 103 18.997 1.766 3.861 1.00 73.50 H new ATOM 1567 N THR A 104 12.250 -0.495 -0.942 1.00 51.13 N ATOM 1568 CA THR A 104 12.584 -1.093 -2.226 1.00 63.43 C ATOM 1569 C THR A 104 11.356 -1.302 -3.102 1.00 10.52 C ATOM 1570 O THR A 104 10.315 -1.766 -2.636 1.00 43.31 O ATOM 1571 CB THR A 104 13.263 -2.433 -1.995 1.00 53.32 C ATOM 1572 OG1 THR A 104 12.473 -3.249 -1.144 1.00 61.20 O ATOM 1573 CG2 THR A 104 14.619 -2.288 -1.368 1.00 35.33 C ATOM 0 H THR A 104 11.462 -0.934 -0.467 1.00 51.13 H new ATOM 0 HA THR A 104 13.251 -0.405 -2.746 1.00 63.43 H new ATOM 0 HB THR A 104 13.377 -2.891 -2.978 1.00 53.32 H new ATOM 0 HG1 THR A 104 13.038 -3.629 -0.439 1.00 61.20 H new ATOM 0 HG21 THR A 104 15.061 -3.274 -1.224 1.00 35.33 H new ATOM 0 HG22 THR A 104 15.260 -1.695 -2.020 1.00 35.33 H new ATOM 0 HG23 THR A 104 14.522 -1.790 -0.403 1.00 35.33 H new ATOM 1581 N VAL A 105 11.503 -0.985 -4.382 1.00 53.23 N ATOM 1582 CA VAL A 105 10.428 -1.165 -5.345 1.00 31.22 C ATOM 1583 C VAL A 105 10.401 -2.607 -5.841 1.00 4.43 C ATOM 1584 O VAL A 105 9.353 -3.129 -6.223 1.00 4.43 O ATOM 1585 CB VAL A 105 10.600 -0.235 -6.563 1.00 25.14 C ATOM 1586 CG1 VAL A 105 9.522 -0.509 -7.601 1.00 41.23 C ATOM 1587 CG2 VAL A 105 10.586 1.226 -6.140 1.00 12.42 C ATOM 0 H VAL A 105 12.361 -0.600 -4.777 1.00 53.23 H new ATOM 0 HA VAL A 105 9.495 -0.920 -4.838 1.00 31.22 H new ATOM 0 HB VAL A 105 11.570 -0.442 -7.014 1.00 25.14 H new ATOM 0 HG11 VAL A 105 9.660 0.157 -8.453 1.00 41.23 H new ATOM 0 HG12 VAL A 105 9.593 -1.544 -7.934 1.00 41.23 H new ATOM 0 HG13 VAL A 105 8.540 -0.336 -7.160 1.00 41.23 H new ATOM 0 HG21 VAL A 105 10.709 1.860 -7.018 1.00 12.42 H new ATOM 0 HG22 VAL A 105 9.636 1.456 -5.657 1.00 12.42 H new ATOM 0 HG23 VAL A 105 11.402 1.410 -5.442 1.00 12.42 H new ATOM 1597 N GLU A 106 11.568 -3.242 -5.836 1.00 21.14 N ATOM 1598 CA GLU A 106 11.696 -4.619 -6.291 1.00 34.33 C ATOM 1599 C GLU A 106 11.045 -5.571 -5.305 1.00 74.15 C ATOM 1600 O GLU A 106 10.470 -6.593 -5.689 1.00 5.20 O ATOM 1601 CB GLU A 106 13.171 -4.975 -6.458 1.00 44.31 C ATOM 1602 CG GLU A 106 14.016 -3.821 -6.965 1.00 51.44 C ATOM 1603 CD GLU A 106 14.884 -4.203 -8.148 1.00 53.01 C ATOM 1604 OE1 GLU A 106 15.965 -4.788 -7.927 1.00 0.23 O ATOM 1605 OE2 GLU A 106 14.482 -3.918 -9.295 1.00 13.12 O ATOM 0 H GLU A 106 12.442 -2.821 -5.520 1.00 21.14 H new ATOM 0 HA GLU A 106 11.190 -4.715 -7.252 1.00 34.33 H new ATOM 0 HB2 GLU A 106 13.567 -5.312 -5.500 1.00 44.31 H new ATOM 0 HB3 GLU A 106 13.259 -5.812 -7.151 1.00 44.31 H new ATOM 0 HG2 GLU A 106 13.363 -2.997 -7.251 1.00 51.44 H new ATOM 0 HG3 GLU A 106 14.651 -3.459 -6.156 1.00 51.44 H new ATOM 1612 N ASP A 107 11.124 -5.219 -4.030 1.00 22.20 N ATOM 1613 CA ASP A 107 10.528 -6.040 -2.990 1.00 22.14 C ATOM 1614 C ASP A 107 9.024 -5.859 -2.995 1.00 30.35 C ATOM 1615 O ASP A 107 8.283 -6.747 -2.579 1.00 45.13 O ATOM 1616 CB ASP A 107 11.097 -5.682 -1.618 1.00 34.21 C ATOM 1617 CG ASP A 107 12.589 -5.937 -1.528 1.00 23.23 C ATOM 1618 OD1 ASP A 107 13.247 -5.989 -2.588 1.00 52.13 O ATOM 1619 OD2 ASP A 107 13.099 -6.083 -0.397 1.00 53.32 O ATOM 0 H ASP A 107 11.591 -4.377 -3.694 1.00 22.20 H new ATOM 0 HA ASP A 107 10.767 -7.084 -3.193 1.00 22.14 H new ATOM 0 HB2 ASP A 107 10.897 -4.631 -1.407 1.00 34.21 H new ATOM 0 HB3 ASP A 107 10.585 -6.264 -0.852 1.00 34.21 H new ATOM 1624 N LEU A 108 8.581 -4.704 -3.485 1.00 13.14 N ATOM 1625 CA LEU A 108 7.160 -4.404 -3.561 1.00 21.53 C ATOM 1626 C LEU A 108 6.496 -5.260 -4.620 1.00 44.54 C ATOM 1627 O LEU A 108 5.477 -5.902 -4.370 1.00 54.12 O ATOM 1628 CB LEU A 108 6.947 -2.927 -3.870 1.00 44.23 C ATOM 1629 CG LEU A 108 6.882 -2.030 -2.637 1.00 32.01 C ATOM 1630 CD1 LEU A 108 6.628 -0.586 -3.036 1.00 11.13 C ATOM 1631 CD2 LEU A 108 5.803 -2.521 -1.682 1.00 1.34 C ATOM 0 H LEU A 108 9.188 -3.963 -3.835 1.00 13.14 H new ATOM 0 HA LEU A 108 6.707 -4.629 -2.596 1.00 21.53 H new ATOM 0 HB2 LEU A 108 7.756 -2.582 -4.513 1.00 44.23 H new ATOM 0 HB3 LEU A 108 6.021 -2.816 -4.435 1.00 44.23 H new ATOM 0 HG LEU A 108 7.844 -2.076 -2.126 1.00 32.01 H new ATOM 0 HD11 LEU A 108 6.585 0.036 -2.142 1.00 11.13 H new ATOM 0 HD12 LEU A 108 7.435 -0.239 -3.681 1.00 11.13 H new ATOM 0 HD13 LEU A 108 5.681 -0.518 -3.571 1.00 11.13 H new ATOM 0 HD21 LEU A 108 5.768 -1.872 -0.807 1.00 1.34 H new ATOM 0 HD22 LEU A 108 4.836 -2.504 -2.185 1.00 1.34 H new ATOM 0 HD23 LEU A 108 6.031 -3.540 -1.369 1.00 1.34 H new ATOM 1643 N ILE A 109 7.094 -5.290 -5.801 1.00 64.31 N ATOM 1644 CA ILE A 109 6.567 -6.101 -6.882 1.00 13.12 C ATOM 1645 C ILE A 109 6.469 -7.551 -6.418 1.00 1.02 C ATOM 1646 O ILE A 109 5.404 -8.173 -6.485 1.00 62.41 O ATOM 1647 CB ILE A 109 7.463 -6.010 -8.134 1.00 55.13 C ATOM 1648 CG1 ILE A 109 7.452 -4.584 -8.690 1.00 63.20 C ATOM 1649 CG2 ILE A 109 7.014 -7.006 -9.198 1.00 5.30 C ATOM 1650 CD1 ILE A 109 8.822 -4.082 -9.092 1.00 65.14 C ATOM 0 H ILE A 109 7.938 -4.766 -6.032 1.00 64.31 H new ATOM 0 HA ILE A 109 5.578 -5.728 -7.149 1.00 13.12 H new ATOM 0 HB ILE A 109 8.483 -6.264 -7.846 1.00 55.13 H new ATOM 0 HG12 ILE A 109 6.791 -4.545 -9.556 1.00 63.20 H new ATOM 0 HG13 ILE A 109 7.034 -3.913 -7.940 1.00 63.20 H new ATOM 0 HG21 ILE A 109 7.661 -6.922 -10.071 1.00 5.30 H new ATOM 0 HG22 ILE A 109 7.074 -8.018 -8.797 1.00 5.30 H new ATOM 0 HG23 ILE A 109 5.985 -6.790 -9.487 1.00 5.30 H new ATOM 0 HD11 ILE A 109 8.739 -3.066 -9.477 1.00 65.14 H new ATOM 0 HD12 ILE A 109 9.481 -4.088 -8.224 1.00 65.14 H new ATOM 0 HD13 ILE A 109 9.235 -4.730 -9.865 1.00 65.14 H new ATOM 1662 N LYS A 110 7.580 -8.066 -5.898 1.00 11.50 N ATOM 1663 CA LYS A 110 7.620 -9.420 -5.382 1.00 41.30 C ATOM 1664 C LYS A 110 6.703 -9.534 -4.176 1.00 4.32 C ATOM 1665 O LYS A 110 6.286 -10.628 -3.795 1.00 2.43 O ATOM 1666 CB LYS A 110 9.048 -9.795 -4.986 1.00 41.03 C ATOM 1667 CG LYS A 110 9.403 -11.238 -5.298 1.00 60.41 C ATOM 1668 CD LYS A 110 9.125 -12.150 -4.115 1.00 43.44 C ATOM 1669 CE LYS A 110 8.596 -13.501 -4.568 1.00 44.51 C ATOM 1670 NZ LYS A 110 8.615 -14.504 -3.467 1.00 34.32 N ATOM 0 H LYS A 110 8.463 -7.560 -5.825 1.00 11.50 H new ATOM 0 HA LYS A 110 7.282 -10.105 -6.160 1.00 41.30 H new ATOM 0 HB2 LYS A 110 9.745 -9.137 -5.505 1.00 41.03 H new ATOM 0 HB3 LYS A 110 9.179 -9.620 -3.918 1.00 41.03 H new ATOM 0 HG2 LYS A 110 8.830 -11.576 -6.161 1.00 60.41 H new ATOM 0 HG3 LYS A 110 10.457 -11.304 -5.569 1.00 60.41 H new ATOM 0 HD2 LYS A 110 10.040 -12.290 -3.539 1.00 43.44 H new ATOM 0 HD3 LYS A 110 8.400 -11.678 -3.452 1.00 43.44 H new ATOM 0 HE2 LYS A 110 7.577 -13.386 -4.937 1.00 44.51 H new ATOM 0 HE3 LYS A 110 9.197 -13.865 -5.401 1.00 44.51 H new ATOM 0 HZ1 LYS A 110 7.865 -15.207 -3.624 1.00 34.32 H new ATOM 0 HZ2 LYS A 110 9.538 -14.982 -3.449 1.00 34.32 H new ATOM 0 HZ3 LYS A 110 8.455 -14.025 -2.558 1.00 34.32 H new ATOM 1684 N PHE A 111 6.391 -8.388 -3.580 1.00 33.42 N ATOM 1685 CA PHE A 111 5.530 -8.347 -2.423 1.00 12.40 C ATOM 1686 C PHE A 111 4.135 -8.803 -2.789 1.00 40.41 C ATOM 1687 O PHE A 111 3.768 -9.942 -2.545 1.00 21.53 O ATOM 1688 CB PHE A 111 5.488 -6.938 -1.857 1.00 64.35 C ATOM 1689 CG PHE A 111 5.180 -6.876 -0.389 1.00 33.13 C ATOM 1690 CD1 PHE A 111 3.982 -7.372 0.096 1.00 12.22 C ATOM 1691 CD2 PHE A 111 6.079 -6.313 0.502 1.00 43.23 C ATOM 1692 CE1 PHE A 111 3.686 -7.310 1.442 1.00 2.32 C ATOM 1693 CE2 PHE A 111 5.787 -6.246 1.851 1.00 33.12 C ATOM 1694 CZ PHE A 111 4.588 -6.747 2.321 1.00 24.21 C ATOM 0 H PHE A 111 6.728 -7.476 -3.888 1.00 33.42 H new ATOM 0 HA PHE A 111 5.929 -9.022 -1.665 1.00 12.40 H new ATOM 0 HB2 PHE A 111 6.450 -6.457 -2.036 1.00 64.35 H new ATOM 0 HB3 PHE A 111 4.738 -6.362 -2.399 1.00 64.35 H new ATOM 0 HD1 PHE A 111 3.271 -7.813 -0.587 1.00 12.22 H new ATOM 0 HD2 PHE A 111 7.018 -5.922 0.139 1.00 43.23 H new ATOM 0 HE1 PHE A 111 2.748 -7.702 1.807 1.00 2.32 H new ATOM 0 HE2 PHE A 111 6.494 -5.803 2.536 1.00 33.12 H new ATOM 0 HZ PHE A 111 4.357 -6.698 3.375 1.00 24.21 H new ATOM 1704 N ILE A 112 3.371 -7.920 -3.412 1.00 71.40 N ATOM 1705 CA ILE A 112 2.023 -8.259 -3.832 1.00 72.10 C ATOM 1706 C ILE A 112 2.049 -9.409 -4.830 1.00 63.21 C ATOM 1707 O ILE A 112 1.012 -9.959 -5.186 1.00 61.34 O ATOM 1708 CB ILE A 112 1.303 -7.058 -4.478 1.00 62.25 C ATOM 1709 CG1 ILE A 112 1.695 -5.748 -3.785 1.00 44.50 C ATOM 1710 CG2 ILE A 112 -0.201 -7.261 -4.423 1.00 72.03 C ATOM 1711 CD1 ILE A 112 2.597 -4.869 -4.623 1.00 24.14 C ATOM 0 H ILE A 112 3.660 -6.968 -3.637 1.00 71.40 H new ATOM 0 HA ILE A 112 1.477 -8.553 -2.936 1.00 72.10 H new ATOM 0 HB ILE A 112 1.611 -6.991 -5.521 1.00 62.25 H new ATOM 0 HG12 ILE A 112 0.790 -5.193 -3.535 1.00 44.50 H new ATOM 0 HG13 ILE A 112 2.197 -5.979 -2.845 1.00 44.50 H new ATOM 0 HG21 ILE A 112 -0.700 -6.408 -4.882 1.00 72.03 H new ATOM 0 HG22 ILE A 112 -0.465 -8.170 -4.964 1.00 72.03 H new ATOM 0 HG23 ILE A 112 -0.518 -7.352 -3.384 1.00 72.03 H new ATOM 0 HD11 ILE A 112 2.834 -3.960 -4.071 1.00 24.14 H new ATOM 0 HD12 ILE A 112 3.518 -5.406 -4.851 1.00 24.14 H new ATOM 0 HD13 ILE A 112 2.090 -4.608 -5.552 1.00 24.14 H new ATOM 1723 N ALA A 113 3.248 -9.774 -5.268 1.00 65.34 N ATOM 1724 CA ALA A 113 3.404 -10.868 -6.233 1.00 25.50 C ATOM 1725 C ALA A 113 3.564 -12.211 -5.533 1.00 50.32 C ATOM 1726 O ALA A 113 3.289 -13.264 -6.109 1.00 62.32 O ATOM 1727 CB ALA A 113 4.587 -10.612 -7.149 1.00 31.51 C ATOM 0 H ALA A 113 4.122 -9.336 -4.977 1.00 65.34 H new ATOM 0 HA ALA A 113 2.495 -10.906 -6.833 1.00 25.50 H new ATOM 0 HB1 ALA A 113 4.684 -11.435 -7.856 1.00 31.51 H new ATOM 0 HB2 ALA A 113 4.430 -9.682 -7.695 1.00 31.51 H new ATOM 0 HB3 ALA A 113 5.497 -10.535 -6.555 1.00 31.51 H new ATOM 1733 N GLU A 114 3.987 -12.158 -4.283 1.00 22.41 N ATOM 1734 CA GLU A 114 4.167 -13.358 -3.470 1.00 51.43 C ATOM 1735 C GLU A 114 3.183 -13.295 -2.318 1.00 52.15 C ATOM 1736 O GLU A 114 2.616 -14.297 -1.881 1.00 3.41 O ATOM 1737 CB GLU A 114 5.623 -13.449 -2.968 1.00 23.01 C ATOM 1738 CG GLU A 114 5.849 -13.034 -1.517 1.00 60.52 C ATOM 1739 CD GLU A 114 6.799 -13.965 -0.789 1.00 52.03 C ATOM 1740 OE1 GLU A 114 8.025 -13.833 -0.985 1.00 21.42 O ATOM 1741 OE2 GLU A 114 6.316 -14.825 -0.022 1.00 33.21 O ATOM 0 H GLU A 114 4.216 -11.289 -3.800 1.00 22.41 H new ATOM 0 HA GLU A 114 3.976 -14.255 -4.059 1.00 51.43 H new ATOM 0 HB2 GLU A 114 5.967 -14.476 -3.091 1.00 23.01 H new ATOM 0 HB3 GLU A 114 6.248 -12.825 -3.607 1.00 23.01 H new ATOM 0 HG2 GLU A 114 6.247 -12.020 -1.490 1.00 60.52 H new ATOM 0 HG3 GLU A 114 4.893 -13.015 -0.995 1.00 60.52 H new ATOM 1748 N ASN A 115 2.998 -12.073 -1.862 1.00 45.32 N ATOM 1749 CA ASN A 115 2.104 -11.741 -0.789 1.00 63.32 C ATOM 1750 C ASN A 115 0.689 -11.616 -1.322 1.00 23.34 C ATOM 1751 O ASN A 115 -0.281 -11.941 -0.639 1.00 24.10 O ATOM 1752 CB ASN A 115 2.572 -10.419 -0.199 1.00 63.53 C ATOM 1753 CG ASN A 115 3.918 -10.563 0.469 1.00 20.43 C ATOM 1754 OD1 ASN A 115 4.029 -10.643 1.688 1.00 74.23 O ATOM 1755 ND2 ASN A 115 4.948 -10.603 -0.353 1.00 70.42 N ATOM 0 H ASN A 115 3.485 -11.263 -2.245 1.00 45.32 H new ATOM 0 HA ASN A 115 2.106 -12.517 -0.023 1.00 63.32 H new ATOM 0 HB2 ASN A 115 2.633 -9.668 -0.987 1.00 63.53 H new ATOM 0 HB3 ASN A 115 1.840 -10.062 0.526 1.00 63.53 H new ATOM 0 HD21 ASN A 115 5.893 -10.705 0.018 1.00 70.42 H new ATOM 0 HD22 ASN A 115 4.800 -10.532 -1.360 1.00 70.42 H new ATOM 1762 N GLY A 116 0.586 -11.142 -2.560 1.00 52.13 N ATOM 1763 CA GLY A 116 -0.702 -10.983 -3.178 1.00 0.40 C ATOM 1764 C GLY A 116 -1.245 -12.280 -3.733 1.00 4.13 C ATOM 1765 O GLY A 116 -0.489 -13.213 -4.007 1.00 12.25 O ATOM 0 H GLY A 116 1.378 -10.867 -3.141 1.00 52.13 H new ATOM 0 HA2 GLY A 116 -1.405 -10.583 -2.447 1.00 0.40 H new ATOM 0 HA3 GLY A 116 -0.627 -10.251 -3.982 1.00 0.40 H new ATOM 1769 N LYS A 117 -2.555 -12.329 -3.924 1.00 30.14 N ATOM 1770 CA LYS A 117 -3.203 -13.508 -4.480 1.00 65.20 C ATOM 1771 C LYS A 117 -3.184 -13.401 -5.987 1.00 20.51 C ATOM 1772 O LYS A 117 -3.093 -14.397 -6.706 1.00 72.22 O ATOM 1773 CB LYS A 117 -4.646 -13.616 -3.994 1.00 72.12 C ATOM 1774 CG LYS A 117 -4.779 -13.683 -2.482 1.00 74.02 C ATOM 1775 CD LYS A 117 -4.674 -15.113 -1.976 1.00 64.42 C ATOM 1776 CE LYS A 117 -6.046 -15.751 -1.826 1.00 24.11 C ATOM 1777 NZ LYS A 117 -6.756 -15.853 -3.131 1.00 51.02 N ATOM 0 H LYS A 117 -3.192 -11.564 -3.702 1.00 30.14 H new ATOM 0 HA LYS A 117 -2.667 -14.399 -4.153 1.00 65.20 H new ATOM 0 HB2 LYS A 117 -5.209 -12.758 -4.361 1.00 72.12 H new ATOM 0 HB3 LYS A 117 -5.101 -14.506 -4.429 1.00 72.12 H new ATOM 0 HG2 LYS A 117 -4.002 -13.075 -2.020 1.00 74.02 H new ATOM 0 HG3 LYS A 117 -5.737 -13.259 -2.181 1.00 74.02 H new ATOM 0 HD2 LYS A 117 -4.071 -15.702 -2.667 1.00 64.42 H new ATOM 0 HD3 LYS A 117 -4.159 -15.124 -1.015 1.00 64.42 H new ATOM 0 HE2 LYS A 117 -5.939 -16.745 -1.392 1.00 24.11 H new ATOM 0 HE3 LYS A 117 -6.646 -15.163 -1.131 1.00 24.11 H new ATOM 0 HZ1 LYS A 117 -7.625 -16.412 -3.011 1.00 51.02 H new ATOM 0 HZ2 LYS A 117 -7.001 -14.900 -3.468 1.00 51.02 H new ATOM 0 HZ3 LYS A 117 -6.138 -16.318 -3.827 1.00 51.02 H new ATOM 1791 N TYR A 118 -3.259 -12.163 -6.446 1.00 41.14 N ATOM 1792 CA TYR A 118 -3.238 -11.859 -7.856 1.00 54.21 C ATOM 1793 C TYR A 118 -1.852 -12.139 -8.434 1.00 31.22 C ATOM 1794 O TYR A 118 -1.701 -12.345 -9.638 1.00 64.22 O ATOM 1795 CB TYR A 118 -3.614 -10.393 -8.060 1.00 73.14 C ATOM 1796 CG TYR A 118 -5.005 -10.193 -8.616 1.00 21.42 C ATOM 1797 CD1 TYR A 118 -5.230 -10.144 -9.986 1.00 31.41 C ATOM 1798 CD2 TYR A 118 -6.094 -10.052 -7.766 1.00 22.41 C ATOM 1799 CE1 TYR A 118 -6.504 -9.961 -10.492 1.00 61.32 C ATOM 1800 CE2 TYR A 118 -7.369 -9.870 -8.263 1.00 2.21 C ATOM 1801 CZ TYR A 118 -7.569 -9.825 -9.626 1.00 61.51 C ATOM 1802 OH TYR A 118 -8.839 -9.644 -10.126 1.00 31.31 O ATOM 0 H TYR A 118 -3.336 -11.343 -5.845 1.00 41.14 H new ATOM 0 HA TYR A 118 -3.959 -12.490 -8.375 1.00 54.21 H new ATOM 0 HB2 TYR A 118 -3.535 -9.871 -7.106 1.00 73.14 H new ATOM 0 HB3 TYR A 118 -2.893 -9.933 -8.736 1.00 73.14 H new ATOM 0 HD1 TYR A 118 -4.398 -10.250 -10.666 1.00 31.41 H new ATOM 0 HD2 TYR A 118 -5.941 -10.085 -6.697 1.00 22.41 H new ATOM 0 HE1 TYR A 118 -6.664 -9.925 -11.559 1.00 61.32 H new ATOM 0 HE2 TYR A 118 -8.205 -9.763 -7.588 1.00 2.21 H new ATOM 0 HH TYR A 118 -9.475 -9.567 -9.384 1.00 31.31 H new ATOM 1812 N LYS A 119 -0.841 -12.146 -7.562 1.00 14.21 N ATOM 1813 CA LYS A 119 0.530 -12.404 -7.982 1.00 21.52 C ATOM 1814 C LYS A 119 0.987 -11.385 -9.019 1.00 1.24 C ATOM 1815 O LYS A 119 1.611 -11.738 -10.020 1.00 32.33 O ATOM 1816 CB LYS A 119 0.658 -13.818 -8.547 1.00 42.53 C ATOM 1817 CG LYS A 119 -0.144 -14.858 -7.782 1.00 41.10 C ATOM 1818 CD LYS A 119 0.392 -15.044 -6.372 1.00 73.22 C ATOM 1819 CE LYS A 119 -0.465 -16.014 -5.574 1.00 43.03 C ATOM 1820 NZ LYS A 119 0.326 -16.732 -4.537 1.00 25.12 N ATOM 0 H LYS A 119 -0.950 -11.976 -6.562 1.00 14.21 H new ATOM 0 HA LYS A 119 1.171 -12.312 -7.105 1.00 21.52 H new ATOM 0 HB2 LYS A 119 0.333 -13.815 -9.587 1.00 42.53 H new ATOM 0 HB3 LYS A 119 1.709 -14.107 -8.543 1.00 42.53 H new ATOM 0 HG2 LYS A 119 -1.190 -14.553 -7.738 1.00 41.10 H new ATOM 0 HG3 LYS A 119 -0.111 -15.809 -8.314 1.00 41.10 H new ATOM 0 HD2 LYS A 119 1.416 -15.414 -6.417 1.00 73.22 H new ATOM 0 HD3 LYS A 119 0.423 -14.081 -5.863 1.00 73.22 H new ATOM 0 HE2 LYS A 119 -1.280 -15.470 -5.097 1.00 43.03 H new ATOM 0 HE3 LYS A 119 -0.919 -16.738 -6.250 1.00 43.03 H new ATOM 0 HZ1 LYS A 119 -0.295 -17.383 -4.016 1.00 25.12 H new ATOM 0 HZ2 LYS A 119 1.088 -17.272 -4.994 1.00 25.12 H new ATOM 0 HZ3 LYS A 119 0.738 -16.043 -3.876 1.00 25.12 H new ATOM 1834 N ALA A 120 0.678 -10.118 -8.771 1.00 74.40 N ATOM 1835 CA ALA A 120 1.063 -9.048 -9.681 1.00 54.30 C ATOM 1836 C ALA A 120 2.570 -8.823 -9.650 1.00 30.52 C ATOM 1837 O ALA A 120 3.101 -8.244 -8.703 1.00 33.35 O ATOM 1838 CB ALA A 120 0.328 -7.766 -9.328 1.00 64.55 C ATOM 0 H ALA A 120 0.162 -9.807 -7.948 1.00 74.40 H new ATOM 0 HA ALA A 120 0.785 -9.344 -10.693 1.00 54.30 H new ATOM 0 HB1 ALA A 120 0.625 -6.975 -10.016 1.00 64.55 H new ATOM 0 HB2 ALA A 120 -0.747 -7.930 -9.406 1.00 64.55 H new ATOM 0 HB3 ALA A 120 0.577 -7.473 -8.308 1.00 64.55 H new ATOM 1844 N ALA A 121 3.252 -9.279 -10.696 1.00 10.42 N ATOM 1845 CA ALA A 121 4.698 -9.125 -10.794 1.00 22.33 C ATOM 1846 C ALA A 121 5.152 -9.136 -12.250 1.00 32.25 C ATOM 1847 O ALA A 121 5.149 -10.225 -12.862 1.00 52.14 O ATOM 1848 CB ALA A 121 5.399 -10.226 -10.011 1.00 73.22 C ATOM 1849 OXT ALA A 121 5.507 -8.056 -12.766 1.00 38.03 O ATOM 0 H ALA A 121 2.825 -9.759 -11.488 1.00 10.42 H new ATOM 0 HA ALA A 121 4.968 -8.160 -10.364 1.00 22.33 H new ATOM 0 HB1 ALA A 121 6.479 -10.099 -10.092 1.00 73.22 H new ATOM 0 HB2 ALA A 121 5.105 -10.171 -8.963 1.00 73.22 H new ATOM 0 HB3 ALA A 121 5.116 -11.197 -10.416 1.00 73.22 H new