USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 926 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 46 HIS : no HD1:sc= -0.534 K(o=0.9,f=-2.8!) USER MOD Set 1.2: A 48 THR OG1 : rot 14:sc= 0.728 USER MOD Set 1.3: A 83 HIS : no HE2:sc= 0.707 K(o=0.9,f=-2.3!) USER MOD Set 2.1: A 15 ASN : amide:sc= -0.318 K(o=-0.79,f=-2.8) USER MOD Set 2.2: A 85 MET CE :methyl 174:sc= -0.472 (180deg=-0.599) USER MOD Single : A 11 SER OG : rot 169:sc= 1.63 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 134:sc= 1 USER MOD Single : A 24 ASN : amide:sc= -0.661 K(o=-0.66,f=-5.8!) USER MOD Single : A 37 THR OG1 : rot 82:sc= 0.558 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -133:sc= 0.218 (180deg=-1.63!) USER MOD Single : A 57 LYS NZ :NH3+ -161:sc= 0.991 (180deg=0.751) USER MOD Single : A 59 MET CE :methyl -168:sc= -0.0182 (180deg=-0.308) USER MOD Single : A 61 MET CE :methyl -166:sc= -0.0795 (180deg=-0.326) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc= 0.355 (180deg=-0.132) USER MOD Single : A 78 LYS NZ :NH3+ -125:sc= 1.18 (180deg=-0.91) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -177:sc= 1.8 (180deg=1.71) USER MOD Single : A 94 LYS NZ :NH3+ -132:sc= 0.926 (180deg=-1.16) USER MOD Single : A 109 LYS NZ :NH3+ 158:sc= -0.0481 (180deg=-0.407) USER MOD Single : A 112 LYS NZ :NH3+ 171:sc= 1.14 (180deg=0.668) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 9.934 1.144 6.032 1.00 1.32 N ATOM 56 CA GLU A 5 9.454 1.404 7.398 1.00 1.19 C ATOM 57 C GLU A 5 7.917 1.407 7.419 1.00 1.15 C ATOM 58 O GLU A 5 7.264 2.399 7.744 1.00 1.49 O ATOM 59 CB GLU A 5 10.120 2.677 7.995 1.00 2.21 C ATOM 60 CG GLU A 5 10.124 3.887 7.046 1.00 3.15 C ATOM 61 CD GLU A 5 10.554 5.200 7.700 1.00 4.10 C ATOM 62 OE1 GLU A 5 11.775 5.404 7.898 1.00 4.45 O ATOM 63 OE2 GLU A 5 9.666 6.065 7.887 1.00 5.23 O ATOM 0 HA GLU A 5 9.762 0.598 8.064 1.00 1.19 H new ATOM 0 HB2 GLU A 5 9.599 2.950 8.913 1.00 2.21 H new ATOM 0 HB3 GLU A 5 11.148 2.441 8.270 1.00 2.21 H new ATOM 0 HG2 GLU A 5 10.791 3.676 6.210 1.00 3.15 H new ATOM 0 HG3 GLU A 5 9.124 4.012 6.632 1.00 3.15 H new ATOM 70 N GLY A 6 7.317 0.290 6.984 1.00 1.07 N ATOM 71 CA GLY A 6 5.863 0.119 6.917 1.00 1.14 C ATOM 72 C GLY A 6 5.467 -1.353 6.968 1.00 0.83 C ATOM 73 O GLY A 6 6.337 -2.216 7.070 1.00 1.05 O ATOM 0 H GLY A 6 7.836 -0.528 6.666 1.00 1.07 H new ATOM 0 HA2 GLY A 6 5.395 0.651 7.745 1.00 1.14 H new ATOM 0 HA3 GLY A 6 5.486 0.566 5.997 1.00 1.14 H new ATOM 77 N TRP A 7 4.168 -1.644 6.889 1.00 0.80 N ATOM 78 CA TRP A 7 3.654 -2.996 7.134 1.00 0.79 C ATOM 79 C TRP A 7 2.680 -3.497 6.062 1.00 0.97 C ATOM 80 O TRP A 7 2.037 -2.723 5.349 1.00 0.96 O ATOM 81 CB TRP A 7 3.011 -3.048 8.531 1.00 0.90 C ATOM 82 CG TRP A 7 1.820 -2.161 8.769 1.00 1.05 C ATOM 83 CD1 TRP A 7 0.525 -2.549 8.766 1.00 1.35 C ATOM 84 CD2 TRP A 7 1.799 -0.730 9.057 1.00 1.33 C ATOM 85 NE1 TRP A 7 -0.288 -1.477 9.065 1.00 1.61 N ATOM 86 CE2 TRP A 7 0.440 -0.310 9.176 1.00 1.66 C ATOM 87 CE3 TRP A 7 2.789 0.265 9.200 1.00 1.63 C ATOM 88 CZ2 TRP A 7 0.082 1.036 9.332 1.00 2.14 C ATOM 89 CZ3 TRP A 7 2.446 1.621 9.350 1.00 2.14 C ATOM 90 CH2 TRP A 7 1.098 2.010 9.393 1.00 2.35 C ATOM 0 H TRP A 7 3.448 -0.960 6.656 1.00 0.80 H new ATOM 0 HA TRP A 7 4.505 -3.675 7.084 1.00 0.79 H new ATOM 0 HB2 TRP A 7 2.711 -4.077 8.728 1.00 0.90 H new ATOM 0 HB3 TRP A 7 3.775 -2.793 9.265 1.00 0.90 H new ATOM 0 HD1 TRP A 7 0.179 -3.551 8.560 1.00 1.35 H new ATOM 0 HE1 TRP A 7 -1.299 -1.538 9.188 1.00 1.61 H new ATOM 0 HE3 TRP A 7 3.831 -0.020 9.194 1.00 1.63 H new ATOM 0 HZ2 TRP A 7 -0.957 1.322 9.404 1.00 2.14 H new ATOM 0 HZ3 TRP A 7 3.223 2.366 9.432 1.00 2.14 H new ATOM 0 HH2 TRP A 7 0.840 3.056 9.473 1.00 2.35 H new ATOM 101 N VAL A 8 2.513 -4.817 6.015 1.00 1.22 N ATOM 102 CA VAL A 8 1.367 -5.506 5.399 1.00 1.35 C ATOM 103 C VAL A 8 0.280 -5.694 6.465 1.00 1.41 C ATOM 104 O VAL A 8 0.586 -5.857 7.645 1.00 1.47 O ATOM 105 CB VAL A 8 1.810 -6.850 4.777 1.00 1.47 C ATOM 106 CG1 VAL A 8 0.642 -7.723 4.287 1.00 1.55 C ATOM 107 CG2 VAL A 8 2.719 -6.551 3.577 1.00 1.49 C ATOM 0 H VAL A 8 3.192 -5.464 6.417 1.00 1.22 H new ATOM 0 HA VAL A 8 0.959 -4.906 4.585 1.00 1.35 H new ATOM 0 HB VAL A 8 2.320 -7.409 5.562 1.00 1.47 H new ATOM 0 HG11 VAL A 8 1.032 -8.649 3.864 1.00 1.55 H new ATOM 0 HG12 VAL A 8 -0.015 -7.956 5.125 1.00 1.55 H new ATOM 0 HG13 VAL A 8 0.080 -7.184 3.524 1.00 1.55 H new ATOM 0 HG21 VAL A 8 3.043 -7.488 3.124 1.00 1.49 H new ATOM 0 HG22 VAL A 8 2.170 -5.963 2.842 1.00 1.49 H new ATOM 0 HG23 VAL A 8 3.591 -5.990 3.912 1.00 1.49 H new ATOM 117 N ARG A 9 -0.991 -5.614 6.071 1.00 1.57 N ATOM 118 CA ARG A 9 -2.131 -5.667 6.987 1.00 1.67 C ATOM 119 C ARG A 9 -2.674 -7.093 7.143 1.00 1.93 C ATOM 120 O ARG A 9 -2.652 -7.888 6.213 1.00 3.64 O ATOM 121 CB ARG A 9 -3.200 -4.673 6.516 1.00 1.83 C ATOM 122 CG ARG A 9 -4.179 -4.277 7.623 1.00 1.62 C ATOM 123 CD ARG A 9 -5.491 -5.064 7.608 1.00 2.55 C ATOM 124 NE ARG A 9 -6.247 -4.810 8.835 1.00 2.87 N ATOM 125 CZ ARG A 9 -7.365 -5.407 9.223 1.00 3.88 C ATOM 126 NH1 ARG A 9 -7.901 -6.428 8.584 1.00 4.84 N ATOM 127 NH2 ARG A 9 -7.965 -4.979 10.306 1.00 4.43 N ATOM 0 H ARG A 9 -1.262 -5.509 5.093 1.00 1.57 H new ATOM 0 HA ARG A 9 -1.805 -5.373 7.984 1.00 1.67 H new ATOM 0 HB2 ARG A 9 -2.711 -3.777 6.133 1.00 1.83 H new ATOM 0 HB3 ARG A 9 -3.756 -5.112 5.687 1.00 1.83 H new ATOM 0 HG2 ARG A 9 -3.694 -4.418 8.589 1.00 1.62 H new ATOM 0 HG3 ARG A 9 -4.404 -3.214 7.531 1.00 1.62 H new ATOM 0 HD2 ARG A 9 -6.085 -4.778 6.740 1.00 2.55 H new ATOM 0 HD3 ARG A 9 -5.283 -6.130 7.514 1.00 2.55 H new ATOM 0 HE ARG A 9 -5.873 -4.096 9.460 1.00 2.87 H new ATOM 0 HH11 ARG A 9 -7.453 -6.797 7.745 1.00 4.84 H new ATOM 0 HH12 ARG A 9 -8.764 -6.849 8.928 1.00 4.84 H new ATOM 0 HH21 ARG A 9 -7.571 -4.200 10.833 1.00 4.43 H new ATOM 0 HH22 ARG A 9 -8.826 -5.425 10.622 1.00 4.43 H new ATOM 141 N PHE A 10 -3.228 -7.372 8.316 1.00 0.86 N ATOM 142 CA PHE A 10 -3.683 -8.673 8.800 1.00 0.81 C ATOM 143 C PHE A 10 -4.942 -9.179 8.083 1.00 0.79 C ATOM 144 O PHE A 10 -5.895 -8.417 7.899 1.00 0.91 O ATOM 145 CB PHE A 10 -3.951 -8.526 10.309 1.00 0.97 C ATOM 146 CG PHE A 10 -4.722 -9.666 10.946 1.00 1.05 C ATOM 147 CD1 PHE A 10 -4.138 -10.939 11.015 1.00 2.03 C ATOM 148 CD2 PHE A 10 -6.031 -9.470 11.431 1.00 2.45 C ATOM 149 CE1 PHE A 10 -4.855 -12.024 11.547 1.00 2.05 C ATOM 150 CE2 PHE A 10 -6.748 -10.552 11.977 1.00 2.62 C ATOM 151 CZ PHE A 10 -6.162 -11.830 12.029 1.00 1.43 C ATOM 0 H PHE A 10 -3.384 -6.639 9.008 1.00 0.86 H new ATOM 0 HA PHE A 10 -2.911 -9.415 8.595 1.00 0.81 H new ATOM 0 HB2 PHE A 10 -2.995 -8.425 10.823 1.00 0.97 H new ATOM 0 HB3 PHE A 10 -4.502 -7.600 10.475 1.00 0.97 H new ATOM 0 HD1 PHE A 10 -3.130 -11.087 10.657 1.00 2.03 H new ATOM 0 HD2 PHE A 10 -6.484 -8.491 11.384 1.00 2.45 H new ATOM 0 HE1 PHE A 10 -4.404 -13.004 11.586 1.00 2.05 H new ATOM 0 HE2 PHE A 10 -7.748 -10.401 12.356 1.00 2.62 H new ATOM 0 HZ PHE A 10 -6.716 -12.662 12.439 1.00 1.43 H new ATOM 161 N SER A 11 -4.976 -10.482 7.788 1.00 0.80 N ATOM 162 CA SER A 11 -6.159 -11.212 7.318 1.00 0.86 C ATOM 163 C SER A 11 -5.878 -12.705 7.064 1.00 0.93 C ATOM 164 O SER A 11 -4.834 -13.027 6.488 1.00 1.04 O ATOM 165 CB SER A 11 -6.685 -10.620 6.007 1.00 1.03 C ATOM 166 OG SER A 11 -7.962 -11.133 5.701 1.00 2.11 O ATOM 0 H SER A 11 -4.153 -11.079 7.872 1.00 0.80 H new ATOM 0 HA SER A 11 -6.894 -11.115 8.117 1.00 0.86 H new ATOM 0 HB2 SER A 11 -6.734 -9.534 6.087 1.00 1.03 H new ATOM 0 HB3 SER A 11 -5.993 -10.848 5.196 1.00 1.03 H new ATOM 0 HG SER A 11 -8.356 -10.614 4.969 1.00 2.11 H new ATOM 172 N PRO A 12 -6.822 -13.617 7.375 1.00 1.05 N ATOM 173 CA PRO A 12 -6.810 -14.981 6.844 1.00 1.11 C ATOM 174 C PRO A 12 -7.225 -15.040 5.363 1.00 0.90 C ATOM 175 O PRO A 12 -6.924 -16.008 4.669 1.00 1.00 O ATOM 176 CB PRO A 12 -7.833 -15.723 7.703 1.00 1.36 C ATOM 177 CG PRO A 12 -8.875 -14.655 8.029 1.00 1.35 C ATOM 178 CD PRO A 12 -8.026 -13.394 8.173 1.00 1.23 C ATOM 0 HA PRO A 12 -5.810 -15.412 6.883 1.00 1.11 H new ATOM 0 HB2 PRO A 12 -8.274 -16.562 7.165 1.00 1.36 H new ATOM 0 HB3 PRO A 12 -7.378 -16.128 8.607 1.00 1.36 H new ATOM 0 HG2 PRO A 12 -9.616 -14.556 7.236 1.00 1.35 H new ATOM 0 HG3 PRO A 12 -9.418 -14.885 8.946 1.00 1.35 H new ATOM 0 HD2 PRO A 12 -8.569 -12.517 7.821 1.00 1.23 H new ATOM 0 HD3 PRO A 12 -7.772 -13.213 9.218 1.00 1.23 H new ATOM 186 N GLY A 13 -7.927 -14.003 4.900 1.00 0.80 N ATOM 187 CA GLY A 13 -8.541 -13.880 3.576 1.00 0.77 C ATOM 188 C GLY A 13 -9.971 -13.318 3.662 1.00 0.89 C ATOM 189 O GLY A 13 -10.482 -13.104 4.763 1.00 1.01 O ATOM 0 H GLY A 13 -8.092 -13.177 5.475 1.00 0.80 H new ATOM 0 HA2 GLY A 13 -7.931 -13.228 2.951 1.00 0.77 H new ATOM 0 HA3 GLY A 13 -8.562 -14.857 3.092 1.00 0.77 H new ATOM 193 N PRO A 14 -10.640 -13.062 2.520 1.00 0.97 N ATOM 194 CA PRO A 14 -10.129 -13.193 1.156 1.00 0.96 C ATOM 195 C PRO A 14 -9.239 -12.014 0.734 1.00 0.90 C ATOM 196 O PRO A 14 -8.511 -12.147 -0.248 1.00 0.92 O ATOM 197 CB PRO A 14 -11.387 -13.266 0.284 1.00 1.16 C ATOM 198 CG PRO A 14 -12.381 -12.381 1.034 1.00 1.24 C ATOM 199 CD PRO A 14 -12.039 -12.651 2.497 1.00 1.15 C ATOM 0 HA PRO A 14 -9.489 -14.070 1.060 1.00 0.96 H new ATOM 0 HB2 PRO A 14 -11.200 -12.897 -0.725 1.00 1.16 H new ATOM 0 HB3 PRO A 14 -11.751 -14.289 0.187 1.00 1.16 H new ATOM 0 HG2 PRO A 14 -12.259 -11.329 0.778 1.00 1.24 H new ATOM 0 HG3 PRO A 14 -13.413 -12.647 0.804 1.00 1.24 H new ATOM 0 HD2 PRO A 14 -12.192 -11.758 3.103 1.00 1.15 H new ATOM 0 HD3 PRO A 14 -12.680 -13.430 2.909 1.00 1.15 H new ATOM 207 N ASN A 15 -9.265 -10.883 1.457 1.00 0.87 N ATOM 208 CA ASN A 15 -8.372 -9.746 1.218 1.00 0.79 C ATOM 209 C ASN A 15 -7.642 -9.274 2.487 1.00 0.68 C ATOM 210 O ASN A 15 -8.074 -9.511 3.615 1.00 0.82 O ATOM 211 CB ASN A 15 -9.115 -8.587 0.526 1.00 1.03 C ATOM 212 CG ASN A 15 -10.004 -7.757 1.448 1.00 1.64 C ATOM 213 OD1 ASN A 15 -9.545 -7.102 2.372 1.00 2.81 O ATOM 214 ND2 ASN A 15 -11.301 -7.727 1.219 1.00 1.76 N ATOM 0 H ASN A 15 -9.914 -10.734 2.230 1.00 0.87 H new ATOM 0 HA ASN A 15 -7.596 -10.102 0.540 1.00 0.79 H new ATOM 0 HB2 ASN A 15 -8.381 -7.928 0.063 1.00 1.03 H new ATOM 0 HB3 ASN A 15 -9.729 -8.995 -0.277 1.00 1.03 H new ATOM 0 HD21 ASN A 15 -11.910 -7.161 1.810 1.00 1.76 H new ATOM 0 HD22 ASN A 15 -11.696 -8.269 0.451 1.00 1.76 H new ATOM 221 N ALA A 16 -6.551 -8.561 2.235 1.00 0.59 N ATOM 222 CA ALA A 16 -5.695 -7.773 3.131 1.00 0.58 C ATOM 223 C ALA A 16 -5.481 -6.389 2.484 1.00 0.47 C ATOM 224 O ALA A 16 -5.979 -6.106 1.392 1.00 0.42 O ATOM 225 CB ALA A 16 -4.371 -8.531 3.305 1.00 0.58 C ATOM 0 H ALA A 16 -6.197 -8.512 1.280 1.00 0.59 H new ATOM 0 HA ALA A 16 -6.144 -7.630 4.114 1.00 0.58 H new ATOM 0 HB1 ALA A 16 -3.714 -7.968 3.967 1.00 0.58 H new ATOM 0 HB2 ALA A 16 -4.568 -9.512 3.737 1.00 0.58 H new ATOM 0 HB3 ALA A 16 -3.891 -8.652 2.334 1.00 0.58 H new ATOM 231 N ALA A 17 -4.702 -5.532 3.139 1.00 0.52 N ATOM 232 CA ALA A 17 -4.194 -4.265 2.616 1.00 0.52 C ATOM 233 C ALA A 17 -2.671 -4.225 2.841 1.00 0.70 C ATOM 234 O ALA A 17 -2.140 -5.059 3.572 1.00 1.12 O ATOM 235 CB ALA A 17 -4.876 -3.109 3.369 1.00 0.76 C ATOM 0 H ALA A 17 -4.393 -5.710 4.095 1.00 0.52 H new ATOM 0 HA ALA A 17 -4.407 -4.169 1.551 1.00 0.52 H new ATOM 0 HB1 ALA A 17 -4.505 -2.158 2.988 1.00 0.76 H new ATOM 0 HB2 ALA A 17 -5.954 -3.164 3.220 1.00 0.76 H new ATOM 0 HB3 ALA A 17 -4.652 -3.186 4.433 1.00 0.76 H new ATOM 241 N ALA A 18 -1.971 -3.235 2.293 1.00 0.60 N ATOM 242 CA ALA A 18 -0.603 -2.907 2.696 1.00 0.64 C ATOM 243 C ALA A 18 -0.474 -1.396 2.923 1.00 0.51 C ATOM 244 O ALA A 18 -0.683 -0.592 2.010 1.00 0.64 O ATOM 245 CB ALA A 18 0.402 -3.461 1.675 1.00 0.90 C ATOM 0 H ALA A 18 -2.337 -2.634 1.554 1.00 0.60 H new ATOM 0 HA ALA A 18 -0.367 -3.387 3.646 1.00 0.64 H new ATOM 0 HB1 ALA A 18 1.415 -3.209 1.988 1.00 0.90 H new ATOM 0 HB2 ALA A 18 0.300 -4.545 1.615 1.00 0.90 H new ATOM 0 HB3 ALA A 18 0.205 -3.023 0.696 1.00 0.90 H new ATOM 251 N TYR A 19 -0.136 -1.041 4.159 1.00 0.71 N ATOM 252 CA TYR A 19 0.146 0.318 4.603 1.00 0.86 C ATOM 253 C TYR A 19 1.665 0.490 4.715 1.00 0.99 C ATOM 254 O TYR A 19 2.240 0.596 5.803 1.00 1.50 O ATOM 255 CB TYR A 19 -0.569 0.575 5.933 1.00 0.97 C ATOM 256 CG TYR A 19 -2.084 0.563 5.882 1.00 1.06 C ATOM 257 CD1 TYR A 19 -2.770 1.511 5.098 1.00 2.38 C ATOM 258 CD2 TYR A 19 -2.810 -0.357 6.663 1.00 1.89 C ATOM 259 CE1 TYR A 19 -4.180 1.548 5.104 1.00 2.67 C ATOM 260 CE2 TYR A 19 -4.216 -0.307 6.695 1.00 1.90 C ATOM 261 CZ TYR A 19 -4.905 0.649 5.916 1.00 1.59 C ATOM 262 OH TYR A 19 -6.260 0.733 5.968 1.00 1.93 O ATOM 0 H TYR A 19 -0.048 -1.724 4.911 1.00 0.71 H new ATOM 0 HA TYR A 19 -0.226 1.051 3.887 1.00 0.86 H new ATOM 0 HB2 TYR A 19 -0.243 -0.178 6.650 1.00 0.97 H new ATOM 0 HB3 TYR A 19 -0.245 1.542 6.317 1.00 0.97 H new ATOM 0 HD1 TYR A 19 -2.215 2.211 4.491 1.00 2.38 H new ATOM 0 HD2 TYR A 19 -2.285 -1.104 7.240 1.00 1.89 H new ATOM 0 HE1 TYR A 19 -4.705 2.263 4.488 1.00 2.67 H new ATOM 0 HE2 TYR A 19 -4.768 -0.999 7.314 1.00 1.90 H new ATOM 0 HH TYR A 19 -6.608 0.043 6.571 1.00 1.93 H new ATOM 272 N LEU A 20 2.332 0.362 3.568 1.00 1.01 N ATOM 273 CA LEU A 20 3.787 0.285 3.475 1.00 1.10 C ATOM 274 C LEU A 20 4.427 1.664 3.328 1.00 0.98 C ATOM 275 O LEU A 20 3.790 2.606 2.860 1.00 0.85 O ATOM 276 CB LEU A 20 4.184 -0.714 2.374 1.00 1.24 C ATOM 277 CG LEU A 20 3.840 -0.317 0.921 1.00 1.15 C ATOM 278 CD1 LEU A 20 4.862 0.634 0.278 1.00 1.61 C ATOM 279 CD2 LEU A 20 3.782 -1.590 0.071 1.00 1.59 C ATOM 0 H LEU A 20 1.866 0.308 2.662 1.00 1.01 H new ATOM 0 HA LEU A 20 4.188 -0.099 4.413 1.00 1.10 H new ATOM 0 HB2 LEU A 20 5.260 -0.879 2.436 1.00 1.24 H new ATOM 0 HB3 LEU A 20 3.702 -1.668 2.590 1.00 1.24 H new ATOM 0 HG LEU A 20 2.886 0.210 0.958 1.00 1.15 H new ATOM 0 HD11 LEU A 20 4.552 0.867 -0.741 1.00 1.61 H new ATOM 0 HD12 LEU A 20 4.919 1.554 0.859 1.00 1.61 H new ATOM 0 HD13 LEU A 20 5.842 0.156 0.259 1.00 1.61 H new ATOM 0 HD21 LEU A 20 3.540 -1.329 -0.959 1.00 1.59 H new ATOM 0 HD22 LEU A 20 4.749 -2.092 0.101 1.00 1.59 H new ATOM 0 HD23 LEU A 20 3.015 -2.257 0.466 1.00 1.59 H new ATOM 291 N THR A 21 5.717 1.746 3.645 1.00 1.11 N ATOM 292 CA THR A 21 6.535 2.956 3.520 1.00 1.11 C ATOM 293 C THR A 21 7.807 2.600 2.779 1.00 1.58 C ATOM 294 O THR A 21 8.543 1.700 3.193 1.00 2.21 O ATOM 295 CB THR A 21 6.914 3.514 4.888 1.00 1.40 C ATOM 296 OG1 THR A 21 5.795 3.552 5.736 1.00 1.86 O ATOM 297 CG2 THR A 21 7.514 4.912 4.767 1.00 1.72 C ATOM 0 H THR A 21 6.241 0.949 4.007 1.00 1.11 H new ATOM 0 HA THR A 21 5.959 3.711 2.985 1.00 1.11 H new ATOM 0 HB THR A 21 7.664 2.850 5.317 1.00 1.40 H new ATOM 0 HG1 THR A 21 6.036 3.185 6.612 1.00 1.86 H new ATOM 0 HG21 THR A 21 7.774 5.283 5.758 1.00 1.72 H new ATOM 0 HG22 THR A 21 8.410 4.871 4.148 1.00 1.72 H new ATOM 0 HG23 THR A 21 6.787 5.582 4.308 1.00 1.72 H new ATOM 305 N LEU A 22 8.084 3.365 1.732 1.00 1.67 N ATOM 306 CA LEU A 22 9.394 3.460 1.083 1.00 2.33 C ATOM 307 C LEU A 22 9.905 4.902 1.153 1.00 1.90 C ATOM 308 O LEU A 22 9.205 5.804 1.618 1.00 1.86 O ATOM 309 CB LEU A 22 9.293 2.973 -0.385 1.00 3.19 C ATOM 310 CG LEU A 22 10.033 1.666 -0.710 1.00 4.48 C ATOM 311 CD1 LEU A 22 11.538 1.735 -0.401 1.00 5.14 C ATOM 312 CD2 LEU A 22 9.380 0.479 -0.003 1.00 5.25 C ATOM 0 H LEU A 22 7.381 3.959 1.292 1.00 1.67 H new ATOM 0 HA LEU A 22 10.106 2.820 1.604 1.00 2.33 H new ATOM 0 HB2 LEU A 22 8.240 2.843 -0.633 1.00 3.19 H new ATOM 0 HB3 LEU A 22 9.679 3.758 -1.035 1.00 3.19 H new ATOM 0 HG LEU A 22 9.947 1.520 -1.787 1.00 4.48 H new ATOM 0 HD11 LEU A 22 12.005 0.782 -0.652 1.00 5.14 H new ATOM 0 HD12 LEU A 22 11.995 2.529 -0.991 1.00 5.14 H new ATOM 0 HD13 LEU A 22 11.683 1.942 0.659 1.00 5.14 H new ATOM 0 HD21 LEU A 22 9.922 -0.434 -0.249 1.00 5.25 H new ATOM 0 HD22 LEU A 22 9.407 0.638 1.075 1.00 5.25 H new ATOM 0 HD23 LEU A 22 8.344 0.385 -0.330 1.00 5.25 H new ATOM 324 N GLU A 23 11.092 5.146 0.608 1.00 1.68 N ATOM 325 CA GLU A 23 11.584 6.486 0.309 1.00 1.28 C ATOM 326 C GLU A 23 12.025 6.563 -1.146 1.00 1.23 C ATOM 327 O GLU A 23 12.179 5.543 -1.812 1.00 1.46 O ATOM 328 CB GLU A 23 12.713 6.876 1.273 1.00 1.60 C ATOM 329 CG GLU A 23 12.127 7.034 2.672 1.00 2.94 C ATOM 330 CD GLU A 23 13.128 7.631 3.637 1.00 3.65 C ATOM 331 OE1 GLU A 23 14.175 6.999 3.890 1.00 3.85 O ATOM 332 OE2 GLU A 23 12.840 8.690 4.228 1.00 4.84 O ATOM 0 H GLU A 23 11.749 4.407 0.358 1.00 1.68 H new ATOM 0 HA GLU A 23 10.778 7.206 0.453 1.00 1.28 H new ATOM 0 HB2 GLU A 23 13.491 6.112 1.273 1.00 1.60 H new ATOM 0 HB3 GLU A 23 13.180 7.807 0.951 1.00 1.60 H new ATOM 0 HG2 GLU A 23 11.243 7.670 2.626 1.00 2.94 H new ATOM 0 HG3 GLU A 23 11.801 6.062 3.042 1.00 2.94 H new ATOM 339 N ASN A 24 12.182 7.788 -1.635 1.00 1.07 N ATOM 340 CA ASN A 24 12.491 8.140 -3.018 1.00 0.99 C ATOM 341 C ASN A 24 13.981 8.524 -3.126 1.00 0.89 C ATOM 342 O ASN A 24 14.297 9.710 -3.100 1.00 0.87 O ATOM 343 CB ASN A 24 11.520 9.291 -3.387 1.00 1.23 C ATOM 344 CG ASN A 24 11.433 9.660 -4.863 1.00 1.45 C ATOM 345 OD1 ASN A 24 10.355 9.876 -5.383 1.00 3.16 O ATOM 346 ND2 ASN A 24 12.529 9.750 -5.592 1.00 1.46 N ATOM 0 H ASN A 24 12.092 8.612 -1.041 1.00 1.07 H new ATOM 0 HA ASN A 24 12.351 7.317 -3.719 1.00 0.99 H new ATOM 0 HB2 ASN A 24 10.522 9.019 -3.044 1.00 1.23 H new ATOM 0 HB3 ASN A 24 11.817 10.180 -2.830 1.00 1.23 H new ATOM 0 HD21 ASN A 24 12.466 9.998 -6.579 1.00 1.46 H new ATOM 0 HD22 ASN A 24 13.439 9.571 -5.168 1.00 1.46 H new ATOM 353 N PRO A 25 14.923 7.567 -3.224 1.00 1.04 N ATOM 354 CA PRO A 25 16.356 7.856 -3.157 1.00 1.13 C ATOM 355 C PRO A 25 16.921 8.596 -4.376 1.00 1.13 C ATOM 356 O PRO A 25 18.003 9.168 -4.265 1.00 1.21 O ATOM 357 CB PRO A 25 17.033 6.489 -3.004 1.00 1.29 C ATOM 358 CG PRO A 25 16.047 5.542 -3.691 1.00 1.33 C ATOM 359 CD PRO A 25 14.717 6.126 -3.247 1.00 1.22 C ATOM 0 HA PRO A 25 16.546 8.536 -2.327 1.00 1.13 H new ATOM 0 HB2 PRO A 25 18.013 6.468 -3.481 1.00 1.29 H new ATOM 0 HB3 PRO A 25 17.182 6.227 -1.957 1.00 1.29 H new ATOM 0 HG2 PRO A 25 16.158 5.549 -4.775 1.00 1.33 H new ATOM 0 HG3 PRO A 25 16.173 4.510 -3.364 1.00 1.33 H new ATOM 0 HD2 PRO A 25 13.917 5.853 -3.936 1.00 1.22 H new ATOM 0 HD3 PRO A 25 14.432 5.753 -2.263 1.00 1.22 H new ATOM 367 N GLY A 26 16.220 8.613 -5.517 1.00 1.08 N ATOM 368 CA GLY A 26 16.606 9.396 -6.676 1.00 1.06 C ATOM 369 C GLY A 26 16.314 10.874 -6.457 1.00 1.12 C ATOM 370 O GLY A 26 15.456 11.260 -5.667 1.00 1.50 O ATOM 0 H GLY A 26 15.364 8.076 -5.653 1.00 1.08 H new ATOM 0 HA2 GLY A 26 17.669 9.257 -6.876 1.00 1.06 H new ATOM 0 HA3 GLY A 26 16.067 9.041 -7.555 1.00 1.06 H new ATOM 374 N ASP A 27 17.027 11.681 -7.224 1.00 1.26 N ATOM 375 CA ASP A 27 16.944 13.141 -7.305 1.00 1.75 C ATOM 376 C ASP A 27 15.860 13.613 -8.289 1.00 1.74 C ATOM 377 O ASP A 27 15.668 14.803 -8.523 1.00 2.03 O ATOM 378 CB ASP A 27 18.341 13.636 -7.684 1.00 2.18 C ATOM 379 CG ASP A 27 19.191 13.777 -6.426 1.00 2.78 C ATOM 380 OD1 ASP A 27 18.990 14.756 -5.673 1.00 3.77 O ATOM 381 OD2 ASP A 27 19.935 12.827 -6.093 1.00 2.96 O ATOM 0 H ASP A 27 17.735 11.310 -7.857 1.00 1.26 H new ATOM 0 HA ASP A 27 16.639 13.563 -6.347 1.00 1.75 H new ATOM 0 HB2 ASP A 27 18.810 12.937 -8.376 1.00 2.18 H new ATOM 0 HB3 ASP A 27 18.271 14.595 -8.198 1.00 2.18 H new ATOM 386 N LEU A 28 15.121 12.649 -8.834 1.00 1.43 N ATOM 387 CA LEU A 28 13.962 12.809 -9.698 1.00 1.37 C ATOM 388 C LEU A 28 12.760 12.079 -9.056 1.00 1.21 C ATOM 389 O LEU A 28 12.962 11.184 -8.225 1.00 1.13 O ATOM 390 CB LEU A 28 14.303 12.245 -11.088 1.00 1.39 C ATOM 391 CG LEU A 28 15.538 12.885 -11.769 1.00 2.56 C ATOM 392 CD1 LEU A 28 16.829 12.081 -11.525 1.00 3.91 C ATOM 393 CD2 LEU A 28 15.312 12.978 -13.285 1.00 2.98 C ATOM 0 H LEU A 28 15.335 11.666 -8.669 1.00 1.43 H new ATOM 0 HA LEU A 28 13.695 13.859 -9.815 1.00 1.37 H new ATOM 0 HB2 LEU A 28 14.473 11.172 -10.997 1.00 1.39 H new ATOM 0 HB3 LEU A 28 13.439 12.377 -11.739 1.00 1.39 H new ATOM 0 HG LEU A 28 15.658 13.875 -11.329 1.00 2.56 H new ATOM 0 HD11 LEU A 28 17.664 12.573 -12.024 1.00 3.91 H new ATOM 0 HD12 LEU A 28 17.027 12.027 -10.455 1.00 3.91 H new ATOM 0 HD13 LEU A 28 16.711 11.073 -11.924 1.00 3.91 H new ATOM 0 HD21 LEU A 28 16.185 13.429 -13.756 1.00 2.98 H new ATOM 0 HD22 LEU A 28 15.156 11.979 -13.692 1.00 2.98 H new ATOM 0 HD23 LEU A 28 14.434 13.592 -13.485 1.00 2.98 H new ATOM 405 N PRO A 29 11.512 12.439 -9.406 1.00 1.23 N ATOM 406 CA PRO A 29 10.336 12.013 -8.668 1.00 1.19 C ATOM 407 C PRO A 29 9.885 10.615 -9.096 1.00 1.06 C ATOM 408 O PRO A 29 9.905 10.266 -10.279 1.00 1.12 O ATOM 409 CB PRO A 29 9.266 13.066 -8.963 1.00 1.32 C ATOM 410 CG PRO A 29 9.626 13.562 -10.363 1.00 1.40 C ATOM 411 CD PRO A 29 11.138 13.341 -10.483 1.00 1.32 C ATOM 0 HA PRO A 29 10.537 11.939 -7.599 1.00 1.19 H new ATOM 0 HB2 PRO A 29 8.264 12.638 -8.935 1.00 1.32 H new ATOM 0 HB3 PRO A 29 9.288 13.875 -8.233 1.00 1.32 H new ATOM 0 HG2 PRO A 29 9.084 13.009 -11.130 1.00 1.40 H new ATOM 0 HG3 PRO A 29 9.369 14.614 -10.488 1.00 1.40 H new ATOM 0 HD2 PRO A 29 11.391 12.913 -11.453 1.00 1.32 H new ATOM 0 HD3 PRO A 29 11.675 14.286 -10.402 1.00 1.32 H new ATOM 419 N LEU A 30 9.441 9.823 -8.118 1.00 1.01 N ATOM 420 CA LEU A 30 8.824 8.523 -8.365 1.00 0.88 C ATOM 421 C LEU A 30 7.311 8.616 -8.547 1.00 0.72 C ATOM 422 O LEU A 30 6.609 9.433 -7.960 1.00 0.75 O ATOM 423 CB LEU A 30 9.193 7.515 -7.265 1.00 0.90 C ATOM 424 CG LEU A 30 10.634 7.001 -7.393 1.00 0.95 C ATOM 425 CD1 LEU A 30 11.047 6.269 -6.111 1.00 2.25 C ATOM 426 CD2 LEU A 30 10.825 6.055 -8.587 1.00 1.50 C ATOM 0 H LEU A 30 9.501 10.068 -7.130 1.00 1.01 H new ATOM 0 HA LEU A 30 9.229 8.159 -9.309 1.00 0.88 H new ATOM 0 HB2 LEU A 30 9.064 7.984 -6.290 1.00 0.90 H new ATOM 0 HB3 LEU A 30 8.505 6.670 -7.306 1.00 0.90 H new ATOM 0 HG LEU A 30 11.262 7.876 -7.557 1.00 0.95 H new ATOM 0 HD11 LEU A 30 12.071 5.908 -6.212 1.00 2.25 H new ATOM 0 HD12 LEU A 30 10.985 6.954 -5.265 1.00 2.25 H new ATOM 0 HD13 LEU A 30 10.379 5.424 -5.943 1.00 2.25 H new ATOM 0 HD21 LEU A 30 11.863 5.724 -8.627 1.00 1.50 H new ATOM 0 HD22 LEU A 30 10.172 5.190 -8.474 1.00 1.50 H new ATOM 0 HD23 LEU A 30 10.576 6.579 -9.510 1.00 1.50 H new ATOM 438 N ARG A 31 6.824 7.677 -9.351 1.00 0.60 N ATOM 439 CA ARG A 31 5.401 7.504 -9.689 1.00 0.48 C ATOM 440 C ARG A 31 4.989 6.050 -9.504 1.00 0.47 C ATOM 441 O ARG A 31 5.236 5.214 -10.368 1.00 0.49 O ATOM 442 CB ARG A 31 5.115 7.997 -11.116 1.00 0.49 C ATOM 443 CG ARG A 31 3.611 7.951 -11.451 1.00 0.53 C ATOM 444 CD ARG A 31 3.278 8.431 -12.878 1.00 0.99 C ATOM 445 NE ARG A 31 3.894 9.734 -13.203 1.00 1.23 N ATOM 446 CZ ARG A 31 3.673 10.875 -12.562 1.00 1.35 C ATOM 447 NH1 ARG A 31 2.680 11.019 -11.722 1.00 2.77 N ATOM 448 NH2 ARG A 31 4.473 11.904 -12.718 1.00 1.88 N ATOM 0 H ARG A 31 7.423 6.988 -9.805 1.00 0.60 H new ATOM 0 HA ARG A 31 4.802 8.111 -9.010 1.00 0.48 H new ATOM 0 HB2 ARG A 31 5.480 9.018 -11.227 1.00 0.49 H new ATOM 0 HB3 ARG A 31 5.664 7.382 -11.829 1.00 0.49 H new ATOM 0 HG2 ARG A 31 3.252 6.929 -11.328 1.00 0.53 H new ATOM 0 HG3 ARG A 31 3.069 8.568 -10.734 1.00 0.53 H new ATOM 0 HD2 ARG A 31 3.618 7.685 -13.596 1.00 0.99 H new ATOM 0 HD3 ARG A 31 2.196 8.509 -12.987 1.00 0.99 H new ATOM 0 HE ARG A 31 4.545 9.759 -13.988 1.00 1.23 H new ATOM 0 HH11 ARG A 31 2.047 10.240 -11.543 1.00 2.77 H new ATOM 0 HH12 ARG A 31 2.539 11.910 -11.246 1.00 2.77 H new ATOM 0 HH21 ARG A 31 5.279 11.834 -13.339 1.00 1.88 H new ATOM 0 HH22 ARG A 31 4.289 12.774 -12.218 1.00 1.88 H new ATOM 462 N LEU A 32 4.390 5.741 -8.366 1.00 0.48 N ATOM 463 CA LEU A 32 3.931 4.407 -7.991 1.00 0.46 C ATOM 464 C LEU A 32 2.612 4.151 -8.712 1.00 0.42 C ATOM 465 O LEU A 32 1.625 4.788 -8.397 1.00 0.52 O ATOM 466 CB LEU A 32 3.820 4.424 -6.461 1.00 0.56 C ATOM 467 CG LEU A 32 3.307 3.152 -5.760 1.00 0.94 C ATOM 468 CD1 LEU A 32 3.720 3.224 -4.284 1.00 1.85 C ATOM 469 CD2 LEU A 32 1.778 3.030 -5.858 1.00 2.60 C ATOM 0 H LEU A 32 4.201 6.439 -7.646 1.00 0.48 H new ATOM 0 HA LEU A 32 4.599 3.595 -8.278 1.00 0.46 H new ATOM 0 HB2 LEU A 32 4.806 4.654 -6.057 1.00 0.56 H new ATOM 0 HB3 LEU A 32 3.162 5.247 -6.183 1.00 0.56 H new ATOM 0 HG LEU A 32 3.739 2.278 -6.248 1.00 0.94 H new ATOM 0 HD11 LEU A 32 3.368 2.333 -3.764 1.00 1.85 H new ATOM 0 HD12 LEU A 32 4.806 3.281 -4.212 1.00 1.85 H new ATOM 0 HD13 LEU A 32 3.280 4.109 -3.826 1.00 1.85 H new ATOM 0 HD21 LEU A 32 1.452 2.121 -5.352 1.00 2.60 H new ATOM 0 HD22 LEU A 32 1.313 3.895 -5.385 1.00 2.60 H new ATOM 0 HD23 LEU A 32 1.483 2.988 -6.906 1.00 2.60 H new ATOM 481 N VAL A 33 2.597 3.245 -9.682 1.00 0.40 N ATOM 482 CA VAL A 33 1.385 2.932 -10.467 1.00 0.39 C ATOM 483 C VAL A 33 0.700 1.648 -9.968 1.00 0.39 C ATOM 484 O VAL A 33 -0.505 1.477 -10.135 1.00 0.43 O ATOM 485 CB VAL A 33 1.694 2.823 -11.983 1.00 0.42 C ATOM 486 CG1 VAL A 33 2.269 4.142 -12.535 1.00 0.50 C ATOM 487 CG2 VAL A 33 2.691 1.704 -12.346 1.00 0.44 C ATOM 0 H VAL A 33 3.416 2.702 -9.955 1.00 0.40 H new ATOM 0 HA VAL A 33 0.696 3.764 -10.321 1.00 0.39 H new ATOM 0 HB VAL A 33 0.730 2.587 -12.434 1.00 0.42 H new ATOM 0 HG11 VAL A 33 2.475 4.032 -13.600 1.00 0.50 H new ATOM 0 HG12 VAL A 33 1.546 4.944 -12.386 1.00 0.50 H new ATOM 0 HG13 VAL A 33 3.193 4.384 -12.010 1.00 0.50 H new ATOM 0 HG21 VAL A 33 2.852 1.696 -13.424 1.00 0.44 H new ATOM 0 HG22 VAL A 33 3.639 1.883 -11.839 1.00 0.44 H new ATOM 0 HG23 VAL A 33 2.287 0.741 -12.032 1.00 0.44 H new ATOM 497 N GLY A 34 1.480 0.729 -9.380 1.00 0.39 N ATOM 498 CA GLY A 34 1.042 -0.606 -8.964 1.00 0.39 C ATOM 499 C GLY A 34 1.959 -1.249 -7.930 1.00 0.38 C ATOM 500 O GLY A 34 2.918 -0.640 -7.455 1.00 0.43 O ATOM 0 H GLY A 34 2.464 0.903 -9.176 1.00 0.39 H new ATOM 0 HA2 GLY A 34 0.035 -0.538 -8.553 1.00 0.39 H new ATOM 0 HA3 GLY A 34 0.986 -1.251 -9.841 1.00 0.39 H new ATOM 504 N ALA A 35 1.666 -2.513 -7.625 1.00 0.41 N ATOM 505 CA ALA A 35 2.481 -3.414 -6.814 1.00 0.38 C ATOM 506 C ALA A 35 2.437 -4.867 -7.330 1.00 0.38 C ATOM 507 O ALA A 35 1.699 -5.182 -8.265 1.00 0.43 O ATOM 508 CB ALA A 35 1.998 -3.325 -5.356 1.00 0.43 C ATOM 0 H ALA A 35 0.809 -2.958 -7.955 1.00 0.41 H new ATOM 0 HA ALA A 35 3.524 -3.104 -6.881 1.00 0.38 H new ATOM 0 HB1 ALA A 35 2.595 -3.992 -4.734 1.00 0.43 H new ATOM 0 HB2 ALA A 35 2.106 -2.301 -4.999 1.00 0.43 H new ATOM 0 HB3 ALA A 35 0.950 -3.619 -5.301 1.00 0.43 H new ATOM 514 N ARG A 36 3.190 -5.752 -6.669 1.00 0.39 N ATOM 515 CA ARG A 36 2.986 -7.211 -6.664 1.00 0.42 C ATOM 516 C ARG A 36 3.314 -7.765 -5.270 1.00 0.46 C ATOM 517 O ARG A 36 3.926 -7.067 -4.465 1.00 0.50 O ATOM 518 CB ARG A 36 3.884 -7.948 -7.676 1.00 0.56 C ATOM 519 CG ARG A 36 4.127 -7.274 -9.036 1.00 1.72 C ATOM 520 CD ARG A 36 4.889 -8.197 -10.005 1.00 2.30 C ATOM 521 NE ARG A 36 6.069 -8.810 -9.366 1.00 3.39 N ATOM 522 CZ ARG A 36 6.391 -10.094 -9.303 1.00 3.88 C ATOM 523 NH1 ARG A 36 5.793 -11.022 -10.026 1.00 3.71 N ATOM 524 NH2 ARG A 36 7.339 -10.432 -8.461 1.00 5.52 N ATOM 0 H ARG A 36 3.988 -5.466 -6.101 1.00 0.39 H new ATOM 0 HA ARG A 36 1.945 -7.379 -6.940 1.00 0.42 H new ATOM 0 HB2 ARG A 36 4.853 -8.115 -7.206 1.00 0.56 H new ATOM 0 HB3 ARG A 36 3.447 -8.929 -7.861 1.00 0.56 H new ATOM 0 HG2 ARG A 36 3.171 -6.993 -9.478 1.00 1.72 H new ATOM 0 HG3 ARG A 36 4.693 -6.354 -8.890 1.00 1.72 H new ATOM 0 HD2 ARG A 36 4.221 -8.981 -10.361 1.00 2.30 H new ATOM 0 HD3 ARG A 36 5.204 -7.626 -10.878 1.00 2.30 H new ATOM 0 HE ARG A 36 6.718 -8.165 -8.916 1.00 3.39 H new ATOM 0 HH11 ARG A 36 5.046 -10.764 -10.670 1.00 3.71 H new ATOM 0 HH12 ARG A 36 6.078 -11.998 -9.941 1.00 3.71 H new ATOM 0 HH21 ARG A 36 7.793 -9.718 -7.891 1.00 5.52 H new ATOM 0 HH22 ARG A 36 7.622 -11.408 -8.377 1.00 5.52 H new ATOM 538 N THR A 37 2.984 -9.031 -4.997 1.00 0.51 N ATOM 539 CA THR A 37 3.298 -9.754 -3.750 1.00 0.51 C ATOM 540 C THR A 37 2.991 -11.237 -3.964 1.00 0.58 C ATOM 541 O THR A 37 2.102 -11.523 -4.769 1.00 0.62 O ATOM 542 CB THR A 37 2.535 -9.153 -2.559 1.00 0.54 C ATOM 543 OG1 THR A 37 2.787 -9.923 -1.419 1.00 0.61 O ATOM 544 CG2 THR A 37 1.021 -9.108 -2.750 1.00 0.59 C ATOM 0 H THR A 37 2.470 -9.608 -5.663 1.00 0.51 H new ATOM 0 HA THR A 37 4.355 -9.651 -3.506 1.00 0.51 H new ATOM 0 HB THR A 37 2.889 -8.127 -2.463 1.00 0.54 H new ATOM 0 HG1 THR A 37 3.645 -9.657 -1.028 1.00 0.61 H new ATOM 0 HG21 THR A 37 0.556 -8.671 -1.867 1.00 0.59 H new ATOM 0 HG22 THR A 37 0.782 -8.501 -3.624 1.00 0.59 H new ATOM 0 HG23 THR A 37 0.643 -10.120 -2.896 1.00 0.59 H new ATOM 552 N PRO A 38 3.679 -12.190 -3.301 1.00 0.64 N ATOM 553 CA PRO A 38 3.394 -13.608 -3.491 1.00 0.73 C ATOM 554 C PRO A 38 2.177 -14.091 -2.700 1.00 0.73 C ATOM 555 O PRO A 38 1.675 -15.175 -2.973 1.00 0.86 O ATOM 556 CB PRO A 38 4.676 -14.318 -3.064 1.00 0.78 C ATOM 557 CG PRO A 38 5.289 -13.405 -2.008 1.00 0.75 C ATOM 558 CD PRO A 38 4.839 -12.009 -2.433 1.00 0.69 C ATOM 0 HA PRO A 38 3.126 -13.821 -4.526 1.00 0.73 H new ATOM 0 HB2 PRO A 38 4.465 -15.307 -2.658 1.00 0.78 H new ATOM 0 HB3 PRO A 38 5.352 -14.457 -3.908 1.00 0.78 H new ATOM 0 HG2 PRO A 38 4.933 -13.654 -1.008 1.00 0.75 H new ATOM 0 HG3 PRO A 38 6.376 -13.487 -1.989 1.00 0.75 H new ATOM 0 HD2 PRO A 38 4.582 -11.404 -1.564 1.00 0.69 H new ATOM 0 HD3 PRO A 38 5.639 -11.488 -2.959 1.00 0.69 H new ATOM 566 N VAL A 39 1.698 -13.312 -1.730 1.00 0.67 N ATOM 567 CA VAL A 39 0.567 -13.663 -0.855 1.00 0.70 C ATOM 568 C VAL A 39 -0.749 -12.992 -1.255 1.00 0.65 C ATOM 569 O VAL A 39 -1.648 -12.860 -0.432 1.00 0.72 O ATOM 570 CB VAL A 39 0.915 -13.399 0.620 1.00 0.73 C ATOM 571 CG1 VAL A 39 2.201 -14.128 1.039 1.00 0.82 C ATOM 572 CG2 VAL A 39 1.066 -11.899 0.875 1.00 0.74 C ATOM 0 H VAL A 39 2.092 -12.395 -1.521 1.00 0.67 H new ATOM 0 HA VAL A 39 0.398 -14.732 -0.985 1.00 0.70 H new ATOM 0 HB VAL A 39 0.093 -13.787 1.222 1.00 0.73 H new ATOM 0 HG11 VAL A 39 2.414 -13.917 2.087 1.00 0.82 H new ATOM 0 HG12 VAL A 39 2.071 -15.202 0.904 1.00 0.82 H new ATOM 0 HG13 VAL A 39 3.032 -13.783 0.424 1.00 0.82 H new ATOM 0 HG21 VAL A 39 1.312 -11.731 1.924 1.00 0.74 H new ATOM 0 HG22 VAL A 39 1.863 -11.502 0.247 1.00 0.74 H new ATOM 0 HG23 VAL A 39 0.130 -11.393 0.637 1.00 0.74 H new ATOM 582 N ALA A 40 -0.885 -12.617 -2.525 1.00 0.58 N ATOM 583 CA ALA A 40 -2.139 -12.215 -3.162 1.00 0.53 C ATOM 584 C ALA A 40 -2.124 -12.644 -4.639 1.00 0.61 C ATOM 585 O ALA A 40 -1.075 -12.939 -5.205 1.00 0.87 O ATOM 586 CB ALA A 40 -2.301 -10.696 -3.013 1.00 0.52 C ATOM 0 H ALA A 40 -0.092 -12.583 -3.166 1.00 0.58 H new ATOM 0 HA ALA A 40 -2.989 -12.702 -2.684 1.00 0.53 H new ATOM 0 HB1 ALA A 40 -3.232 -10.382 -3.484 1.00 0.52 H new ATOM 0 HB2 ALA A 40 -2.323 -10.434 -1.955 1.00 0.52 H new ATOM 0 HB3 ALA A 40 -1.463 -10.192 -3.494 1.00 0.52 H new ATOM 592 N GLU A 41 -3.310 -12.688 -5.235 1.00 0.65 N ATOM 593 CA GLU A 41 -3.587 -13.064 -6.622 1.00 0.79 C ATOM 594 C GLU A 41 -3.635 -11.850 -7.557 1.00 0.77 C ATOM 595 O GLU A 41 -3.035 -11.856 -8.629 1.00 1.07 O ATOM 596 CB GLU A 41 -4.949 -13.757 -6.595 1.00 0.94 C ATOM 597 CG GLU A 41 -5.321 -14.485 -7.882 1.00 1.20 C ATOM 598 CD GLU A 41 -6.487 -15.397 -7.541 1.00 2.60 C ATOM 599 OE1 GLU A 41 -7.635 -14.919 -7.614 1.00 3.96 O ATOM 600 OE2 GLU A 41 -6.190 -16.518 -7.068 1.00 3.15 O ATOM 0 H GLU A 41 -4.163 -12.446 -4.730 1.00 0.65 H new ATOM 0 HA GLU A 41 -2.795 -13.707 -7.006 1.00 0.79 H new ATOM 0 HB2 GLU A 41 -4.961 -14.473 -5.773 1.00 0.94 H new ATOM 0 HB3 GLU A 41 -5.716 -13.013 -6.381 1.00 0.94 H new ATOM 0 HG2 GLU A 41 -5.598 -13.776 -8.662 1.00 1.20 H new ATOM 0 HG3 GLU A 41 -4.476 -15.061 -8.260 1.00 1.20 H new ATOM 607 N ARG A 42 -4.305 -10.776 -7.117 1.00 0.61 N ATOM 608 CA ARG A 42 -4.135 -9.430 -7.654 1.00 0.68 C ATOM 609 C ARG A 42 -3.958 -8.453 -6.498 1.00 0.60 C ATOM 610 O ARG A 42 -4.367 -8.710 -5.367 1.00 0.89 O ATOM 611 CB ARG A 42 -5.295 -9.027 -8.588 1.00 1.04 C ATOM 612 CG ARG A 42 -6.612 -8.640 -7.885 1.00 2.07 C ATOM 613 CD ARG A 42 -7.605 -8.063 -8.903 1.00 2.24 C ATOM 614 NE ARG A 42 -8.813 -7.525 -8.253 1.00 4.05 N ATOM 615 CZ ARG A 42 -9.903 -8.180 -7.893 1.00 4.97 C ATOM 616 NH1 ARG A 42 -10.031 -9.487 -8.020 1.00 4.67 N ATOM 617 NH2 ARG A 42 -10.885 -7.474 -7.387 1.00 6.91 N ATOM 0 H ARG A 42 -4.991 -10.825 -6.364 1.00 0.61 H new ATOM 0 HA ARG A 42 -3.239 -9.406 -8.275 1.00 0.68 H new ATOM 0 HB2 ARG A 42 -4.970 -8.186 -9.200 1.00 1.04 H new ATOM 0 HB3 ARG A 42 -5.496 -9.856 -9.267 1.00 1.04 H new ATOM 0 HG2 ARG A 42 -7.044 -9.515 -7.399 1.00 2.07 H new ATOM 0 HG3 ARG A 42 -6.414 -7.907 -7.103 1.00 2.07 H new ATOM 0 HD2 ARG A 42 -7.119 -7.273 -9.475 1.00 2.24 H new ATOM 0 HD3 ARG A 42 -7.890 -8.841 -9.612 1.00 2.24 H new ATOM 0 HE ARG A 42 -8.807 -6.524 -8.057 1.00 4.05 H new ATOM 0 HH11 ARG A 42 -9.267 -10.039 -8.411 1.00 4.67 H new ATOM 0 HH12 ARG A 42 -10.894 -9.946 -7.727 1.00 4.67 H new ATOM 0 HH21 ARG A 42 -10.787 -6.464 -7.286 1.00 6.91 H new ATOM 0 HH22 ARG A 42 -11.747 -7.935 -7.095 1.00 6.91 H new ATOM 631 N VAL A 43 -3.386 -7.306 -6.818 1.00 0.50 N ATOM 632 CA VAL A 43 -3.357 -6.111 -5.973 1.00 0.44 C ATOM 633 C VAL A 43 -4.052 -4.962 -6.714 1.00 0.58 C ATOM 634 O VAL A 43 -3.947 -4.861 -7.938 1.00 0.86 O ATOM 635 CB VAL A 43 -1.911 -5.759 -5.566 1.00 0.61 C ATOM 636 CG1 VAL A 43 -0.991 -5.459 -6.755 1.00 0.76 C ATOM 637 CG2 VAL A 43 -1.844 -4.585 -4.585 1.00 0.85 C ATOM 0 H VAL A 43 -2.908 -7.169 -7.709 1.00 0.50 H new ATOM 0 HA VAL A 43 -3.898 -6.298 -5.045 1.00 0.44 H new ATOM 0 HB VAL A 43 -1.550 -6.663 -5.075 1.00 0.61 H new ATOM 0 HG11 VAL A 43 0.008 -5.220 -6.391 1.00 0.76 H new ATOM 0 HG12 VAL A 43 -0.941 -6.332 -7.406 1.00 0.76 H new ATOM 0 HG13 VAL A 43 -1.385 -4.611 -7.315 1.00 0.76 H new ATOM 0 HG21 VAL A 43 -0.803 -4.381 -4.333 1.00 0.85 H new ATOM 0 HG22 VAL A 43 -2.286 -3.701 -5.045 1.00 0.85 H new ATOM 0 HG23 VAL A 43 -2.394 -4.837 -3.678 1.00 0.85 H new ATOM 647 N GLU A 44 -4.771 -4.122 -5.973 1.00 0.54 N ATOM 648 CA GLU A 44 -5.354 -2.858 -6.430 1.00 0.50 C ATOM 649 C GLU A 44 -4.736 -1.701 -5.639 1.00 0.43 C ATOM 650 O GLU A 44 -4.391 -1.863 -4.470 1.00 0.54 O ATOM 651 CB GLU A 44 -6.869 -2.857 -6.187 1.00 0.66 C ATOM 652 CG GLU A 44 -7.615 -3.844 -7.091 1.00 1.17 C ATOM 653 CD GLU A 44 -9.068 -4.067 -6.665 1.00 1.84 C ATOM 654 OE1 GLU A 44 -9.569 -3.319 -5.797 1.00 2.58 O ATOM 655 OE2 GLU A 44 -9.658 -5.030 -7.201 1.00 2.64 O ATOM 0 H GLU A 44 -4.974 -4.311 -4.991 1.00 0.54 H new ATOM 0 HA GLU A 44 -5.153 -2.743 -7.495 1.00 0.50 H new ATOM 0 HB2 GLU A 44 -7.065 -3.106 -5.144 1.00 0.66 H new ATOM 0 HB3 GLU A 44 -7.259 -1.853 -6.353 1.00 0.66 H new ATOM 0 HG2 GLU A 44 -7.596 -3.474 -8.116 1.00 1.17 H new ATOM 0 HG3 GLU A 44 -7.090 -4.799 -7.087 1.00 1.17 H new ATOM 662 N LEU A 45 -4.623 -0.524 -6.256 1.00 0.50 N ATOM 663 CA LEU A 45 -4.139 0.690 -5.593 1.00 0.54 C ATOM 664 C LEU A 45 -5.323 1.588 -5.212 1.00 0.49 C ATOM 665 O LEU A 45 -6.091 2.005 -6.080 1.00 0.51 O ATOM 666 CB LEU A 45 -3.144 1.382 -6.534 1.00 0.75 C ATOM 667 CG LEU A 45 -2.643 2.748 -6.031 1.00 0.57 C ATOM 668 CD1 LEU A 45 -1.908 2.691 -4.686 1.00 0.63 C ATOM 669 CD2 LEU A 45 -1.717 3.335 -7.096 1.00 0.90 C ATOM 0 H LEU A 45 -4.866 -0.384 -7.237 1.00 0.50 H new ATOM 0 HA LEU A 45 -3.623 0.453 -4.663 1.00 0.54 H new ATOM 0 HB2 LEU A 45 -2.286 0.726 -6.683 1.00 0.75 H new ATOM 0 HB3 LEU A 45 -3.616 1.517 -7.507 1.00 0.75 H new ATOM 0 HG LEU A 45 -3.520 3.372 -5.862 1.00 0.57 H new ATOM 0 HD11 LEU A 45 -1.588 3.694 -4.403 1.00 0.63 H new ATOM 0 HD12 LEU A 45 -2.577 2.295 -3.922 1.00 0.63 H new ATOM 0 HD13 LEU A 45 -1.036 2.044 -4.775 1.00 0.63 H new ATOM 0 HD21 LEU A 45 -1.348 4.305 -6.763 1.00 0.90 H new ATOM 0 HD22 LEU A 45 -0.875 2.662 -7.257 1.00 0.90 H new ATOM 0 HD23 LEU A 45 -2.267 3.457 -8.029 1.00 0.90 H new ATOM 681 N HIS A 46 -5.471 1.881 -3.919 1.00 0.50 N ATOM 682 CA HIS A 46 -6.592 2.629 -3.347 1.00 0.49 C ATOM 683 C HIS A 46 -6.168 3.897 -2.571 1.00 0.54 C ATOM 684 O HIS A 46 -5.068 4.012 -2.027 1.00 0.65 O ATOM 685 CB HIS A 46 -7.384 1.719 -2.381 1.00 0.48 C ATOM 686 CG HIS A 46 -8.173 0.550 -2.922 1.00 0.44 C ATOM 687 ND1 HIS A 46 -8.856 -0.344 -2.112 1.00 0.45 N ATOM 688 CD2 HIS A 46 -8.324 0.129 -4.212 1.00 0.42 C ATOM 689 CE1 HIS A 46 -9.376 -1.283 -2.899 1.00 0.45 C ATOM 690 NE2 HIS A 46 -9.084 -1.030 -4.184 1.00 0.44 N ATOM 0 H HIS A 46 -4.790 1.594 -3.216 1.00 0.50 H new ATOM 0 HA HIS A 46 -7.199 2.950 -4.194 1.00 0.49 H new ATOM 0 HB2 HIS A 46 -6.675 1.323 -1.654 1.00 0.48 H new ATOM 0 HB3 HIS A 46 -8.080 2.355 -1.834 1.00 0.48 H new ATOM 0 HD2 HIS A 46 -7.925 0.610 -5.092 1.00 0.42 H new ATOM 0 HE1 HIS A 46 -9.951 -2.129 -2.552 1.00 0.45 H new ATOM 0 HE2 HIS A 46 -9.368 -1.587 -4.990 1.00 0.44 H new ATOM 698 N GLU A 47 -7.134 4.802 -2.455 1.00 0.51 N ATOM 699 CA GLU A 47 -7.193 5.907 -1.495 1.00 0.57 C ATOM 700 C GLU A 47 -8.070 5.561 -0.273 1.00 0.53 C ATOM 701 O GLU A 47 -8.721 4.514 -0.233 1.00 0.60 O ATOM 702 CB GLU A 47 -7.699 7.164 -2.216 1.00 0.65 C ATOM 703 CG GLU A 47 -9.168 7.091 -2.662 1.00 0.69 C ATOM 704 CD GLU A 47 -9.720 8.439 -3.123 1.00 1.10 C ATOM 705 OE1 GLU A 47 -9.519 9.443 -2.415 1.00 1.76 O ATOM 706 OE2 GLU A 47 -10.466 8.450 -4.124 1.00 2.41 O ATOM 0 H GLU A 47 -7.950 4.785 -3.066 1.00 0.51 H new ATOM 0 HA GLU A 47 -6.192 6.093 -1.106 1.00 0.57 H new ATOM 0 HB2 GLU A 47 -7.575 8.022 -1.555 1.00 0.65 H new ATOM 0 HB3 GLU A 47 -7.074 7.342 -3.091 1.00 0.65 H new ATOM 0 HG2 GLU A 47 -9.260 6.370 -3.474 1.00 0.69 H new ATOM 0 HG3 GLU A 47 -9.775 6.720 -1.836 1.00 0.69 H new ATOM 713 N THR A 48 -8.150 6.467 0.706 1.00 0.69 N ATOM 714 CA THR A 48 -9.129 6.468 1.809 1.00 0.67 C ATOM 715 C THR A 48 -9.328 7.923 2.219 1.00 0.62 C ATOM 716 O THR A 48 -8.410 8.726 2.074 1.00 0.79 O ATOM 717 CB THR A 48 -8.671 5.578 2.970 1.00 0.71 C ATOM 718 OG1 THR A 48 -8.777 4.262 2.495 1.00 1.02 O ATOM 719 CG2 THR A 48 -9.496 5.665 4.250 1.00 0.73 C ATOM 0 H THR A 48 -7.507 7.257 0.758 1.00 0.69 H new ATOM 0 HA THR A 48 -10.080 6.042 1.491 1.00 0.67 H new ATOM 0 HB THR A 48 -7.670 5.906 3.251 1.00 0.71 H new ATOM 0 HG1 THR A 48 -8.894 4.274 1.522 1.00 1.02 H new ATOM 0 HG21 THR A 48 -9.078 4.992 4.999 1.00 0.73 H new ATOM 0 HG22 THR A 48 -9.474 6.687 4.628 1.00 0.73 H new ATOM 0 HG23 THR A 48 -10.526 5.378 4.039 1.00 0.73 H new ATOM 727 N PHE A 49 -10.542 8.259 2.657 1.00 0.54 N ATOM 728 CA PHE A 49 -11.030 9.635 2.785 1.00 0.56 C ATOM 729 C PHE A 49 -12.252 9.728 3.713 1.00 0.57 C ATOM 730 O PHE A 49 -12.742 8.724 4.233 1.00 0.55 O ATOM 731 CB PHE A 49 -11.350 10.180 1.377 1.00 0.61 C ATOM 732 CG PHE A 49 -12.370 9.362 0.598 1.00 0.69 C ATOM 733 CD1 PHE A 49 -13.747 9.532 0.829 1.00 1.52 C ATOM 734 CD2 PHE A 49 -11.943 8.422 -0.356 1.00 2.18 C ATOM 735 CE1 PHE A 49 -14.687 8.760 0.124 1.00 1.44 C ATOM 736 CE2 PHE A 49 -12.880 7.662 -1.069 1.00 2.41 C ATOM 737 CZ PHE A 49 -14.255 7.822 -0.828 1.00 1.14 C ATOM 0 H PHE A 49 -11.232 7.564 2.940 1.00 0.54 H new ATOM 0 HA PHE A 49 -10.253 10.245 3.245 1.00 0.56 H new ATOM 0 HB2 PHE A 49 -11.719 11.201 1.472 1.00 0.61 H new ATOM 0 HB3 PHE A 49 -10.426 10.227 0.801 1.00 0.61 H new ATOM 0 HD1 PHE A 49 -14.084 10.260 1.552 1.00 1.52 H new ATOM 0 HD2 PHE A 49 -10.888 8.285 -0.540 1.00 2.18 H new ATOM 0 HE1 PHE A 49 -15.742 8.888 0.315 1.00 1.44 H new ATOM 0 HE2 PHE A 49 -12.543 6.950 -1.808 1.00 2.41 H new ATOM 0 HZ PHE A 49 -14.975 7.228 -1.371 1.00 1.14 H new ATOM 747 N MET A 50 -12.784 10.943 3.897 1.00 0.72 N ATOM 748 CA MET A 50 -14.023 11.208 4.637 1.00 0.86 C ATOM 749 C MET A 50 -15.192 11.658 3.739 1.00 0.95 C ATOM 750 O MET A 50 -15.007 12.376 2.760 1.00 1.03 O ATOM 751 CB MET A 50 -13.764 12.218 5.764 1.00 1.10 C ATOM 752 CG MET A 50 -13.292 13.600 5.306 1.00 2.56 C ATOM 753 SD MET A 50 -13.433 14.853 6.606 1.00 3.21 S ATOM 754 CE MET A 50 -12.791 16.287 5.707 1.00 4.33 C ATOM 0 H MET A 50 -12.353 11.790 3.526 1.00 0.72 H new ATOM 0 HA MET A 50 -14.337 10.259 5.072 1.00 0.86 H new ATOM 0 HB2 MET A 50 -14.681 12.338 6.340 1.00 1.10 H new ATOM 0 HB3 MET A 50 -13.016 11.801 6.438 1.00 1.10 H new ATOM 0 HG2 MET A 50 -12.254 13.535 4.980 1.00 2.56 H new ATOM 0 HG3 MET A 50 -13.878 13.912 4.442 1.00 2.56 H new ATOM 0 HE1 MET A 50 -12.804 17.161 6.359 1.00 4.33 H new ATOM 0 HE2 MET A 50 -11.768 16.088 5.387 1.00 4.33 H new ATOM 0 HE3 MET A 50 -13.414 16.477 4.833 1.00 4.33 H new ATOM 764 N ARG A 51 -16.414 11.276 4.124 1.00 1.03 N ATOM 765 CA ARG A 51 -17.689 11.679 3.510 1.00 1.17 C ATOM 766 C ARG A 51 -18.711 12.134 4.568 1.00 1.13 C ATOM 767 O ARG A 51 -18.741 11.635 5.697 1.00 1.01 O ATOM 768 CB ARG A 51 -18.296 10.515 2.699 1.00 1.32 C ATOM 769 CG ARG A 51 -17.725 10.409 1.273 1.00 1.66 C ATOM 770 CD ARG A 51 -18.471 11.196 0.180 1.00 2.08 C ATOM 771 NE ARG A 51 -18.560 12.645 0.457 1.00 3.17 N ATOM 772 CZ ARG A 51 -19.648 13.301 0.850 1.00 4.14 C ATOM 773 NH1 ARG A 51 -20.831 12.728 0.919 1.00 4.02 N ATOM 774 NH2 ARG A 51 -19.581 14.558 1.227 1.00 5.78 N ATOM 0 H ARG A 51 -16.550 10.644 4.913 1.00 1.03 H new ATOM 0 HA ARG A 51 -17.471 12.517 2.848 1.00 1.17 H new ATOM 0 HB2 ARG A 51 -18.114 9.579 3.227 1.00 1.32 H new ATOM 0 HB3 ARG A 51 -19.377 10.645 2.642 1.00 1.32 H new ATOM 0 HG2 ARG A 51 -16.689 10.749 1.293 1.00 1.66 H new ATOM 0 HG3 ARG A 51 -17.710 9.357 0.988 1.00 1.66 H new ATOM 0 HD2 ARG A 51 -17.965 11.046 -0.774 1.00 2.08 H new ATOM 0 HD3 ARG A 51 -19.478 10.791 0.074 1.00 2.08 H new ATOM 0 HE ARG A 51 -17.708 13.193 0.335 1.00 3.17 H new ATOM 0 HH11 ARG A 51 -20.937 11.746 0.666 1.00 4.02 H new ATOM 0 HH12 ARG A 51 -21.641 13.266 1.226 1.00 4.02 H new ATOM 0 HH21 ARG A 51 -18.685 15.045 1.221 1.00 5.78 H new ATOM 0 HH22 ARG A 51 -20.425 15.047 1.526 1.00 5.78 H new ATOM 788 N GLU A 52 -19.571 13.077 4.179 1.00 1.28 N ATOM 789 CA GLU A 52 -20.692 13.577 4.943 1.00 1.15 C ATOM 790 C GLU A 52 -21.938 13.826 4.062 1.00 1.40 C ATOM 791 O GLU A 52 -21.794 14.286 2.928 1.00 1.65 O ATOM 792 CB GLU A 52 -20.195 14.904 5.515 1.00 1.23 C ATOM 793 CG GLU A 52 -20.631 15.029 6.946 1.00 1.72 C ATOM 794 CD GLU A 52 -22.134 15.059 7.033 1.00 2.24 C ATOM 795 OE1 GLU A 52 -22.715 16.143 6.909 1.00 3.21 O ATOM 796 OE2 GLU A 52 -22.721 13.961 7.132 1.00 3.53 O ATOM 0 H GLU A 52 -19.490 13.531 3.269 1.00 1.28 H new ATOM 0 HA GLU A 52 -21.001 12.859 5.703 1.00 1.15 H new ATOM 0 HB2 GLU A 52 -19.108 14.956 5.449 1.00 1.23 H new ATOM 0 HB3 GLU A 52 -20.590 15.735 4.930 1.00 1.23 H new ATOM 0 HG2 GLU A 52 -20.243 14.192 7.526 1.00 1.72 H new ATOM 0 HG3 GLU A 52 -20.216 15.938 7.382 1.00 1.72 H new ATOM 803 N VAL A 53 -23.142 13.553 4.570 1.00 1.70 N ATOM 804 CA VAL A 53 -24.445 13.748 3.916 1.00 2.20 C ATOM 805 C VAL A 53 -25.606 14.156 4.851 1.00 2.31 C ATOM 806 O VAL A 53 -26.749 14.219 4.406 1.00 3.86 O ATOM 807 CB VAL A 53 -24.848 12.475 3.128 1.00 2.71 C ATOM 808 CG1 VAL A 53 -23.923 12.179 1.935 1.00 3.14 C ATOM 809 CG2 VAL A 53 -24.913 11.214 4.012 1.00 2.89 C ATOM 0 H VAL A 53 -23.243 13.165 5.508 1.00 1.70 H new ATOM 0 HA VAL A 53 -24.291 14.597 3.250 1.00 2.20 H new ATOM 0 HB VAL A 53 -25.846 12.706 2.755 1.00 2.71 H new ATOM 0 HG11 VAL A 53 -24.261 11.276 1.428 1.00 3.14 H new ATOM 0 HG12 VAL A 53 -23.948 13.017 1.239 1.00 3.14 H new ATOM 0 HG13 VAL A 53 -22.903 12.034 2.292 1.00 3.14 H new ATOM 0 HG21 VAL A 53 -25.200 10.357 3.403 1.00 2.89 H new ATOM 0 HG22 VAL A 53 -23.935 11.031 4.458 1.00 2.89 H new ATOM 0 HG23 VAL A 53 -25.650 11.361 4.802 1.00 2.89 H new ATOM 819 N GLU A 54 -25.348 14.412 6.140 1.00 1.90 N ATOM 820 CA GLU A 54 -26.373 14.421 7.204 1.00 1.95 C ATOM 821 C GLU A 54 -25.872 14.869 8.604 1.00 1.93 C ATOM 822 O GLU A 54 -26.467 14.535 9.632 1.00 2.04 O ATOM 823 CB GLU A 54 -27.023 13.021 7.296 1.00 1.90 C ATOM 824 CG GLU A 54 -28.528 13.100 7.565 1.00 2.70 C ATOM 825 CD GLU A 54 -29.095 11.752 8.008 1.00 2.93 C ATOM 826 OE1 GLU A 54 -28.504 10.689 7.700 1.00 3.09 O ATOM 827 OE2 GLU A 54 -30.054 11.736 8.816 1.00 3.90 O ATOM 0 H GLU A 54 -24.411 14.622 6.483 1.00 1.90 H new ATOM 0 HA GLU A 54 -27.099 15.180 6.911 1.00 1.95 H new ATOM 0 HB2 GLU A 54 -26.850 12.480 6.366 1.00 1.90 H new ATOM 0 HB3 GLU A 54 -26.543 12.451 8.091 1.00 1.90 H new ATOM 0 HG2 GLU A 54 -28.721 13.847 8.335 1.00 2.70 H new ATOM 0 HG3 GLU A 54 -29.042 13.432 6.663 1.00 2.70 H new ATOM 834 N GLY A 55 -24.724 15.543 8.689 1.00 1.95 N ATOM 835 CA GLY A 55 -23.940 15.732 9.925 1.00 2.10 C ATOM 836 C GLY A 55 -23.165 14.474 10.358 1.00 1.79 C ATOM 837 O GLY A 55 -22.344 14.526 11.282 1.00 2.20 O ATOM 0 H GLY A 55 -24.295 15.989 7.878 1.00 1.95 H new ATOM 0 HA2 GLY A 55 -23.235 16.551 9.778 1.00 2.10 H new ATOM 0 HA3 GLY A 55 -24.612 16.031 10.730 1.00 2.10 H new ATOM 841 N LYS A 56 -23.372 13.355 9.668 1.00 1.35 N ATOM 842 CA LYS A 56 -22.944 11.988 9.974 1.00 1.35 C ATOM 843 C LYS A 56 -21.660 11.667 9.206 1.00 1.21 C ATOM 844 O LYS A 56 -21.614 10.876 8.268 1.00 1.54 O ATOM 845 CB LYS A 56 -24.076 10.995 9.656 1.00 1.38 C ATOM 846 CG LYS A 56 -25.294 11.176 10.574 1.00 1.60 C ATOM 847 CD LYS A 56 -26.382 10.160 10.216 1.00 2.21 C ATOM 848 CE LYS A 56 -27.715 10.576 10.848 1.00 2.14 C ATOM 849 NZ LYS A 56 -28.843 9.837 10.241 1.00 2.74 N ATOM 0 H LYS A 56 -23.896 13.384 8.793 1.00 1.35 H new ATOM 0 HA LYS A 56 -22.725 11.897 11.038 1.00 1.35 H new ATOM 0 HB2 LYS A 56 -24.385 11.122 8.619 1.00 1.38 H new ATOM 0 HB3 LYS A 56 -23.700 9.977 9.754 1.00 1.38 H new ATOM 0 HG2 LYS A 56 -24.996 11.049 11.615 1.00 1.60 H new ATOM 0 HG3 LYS A 56 -25.685 12.189 10.476 1.00 1.60 H new ATOM 0 HD2 LYS A 56 -26.488 10.095 9.133 1.00 2.21 H new ATOM 0 HD3 LYS A 56 -26.096 9.169 10.569 1.00 2.21 H new ATOM 0 HE2 LYS A 56 -27.687 10.387 11.921 1.00 2.14 H new ATOM 0 HE3 LYS A 56 -27.865 11.648 10.717 1.00 2.14 H new ATOM 0 HZ1 LYS A 56 -29.607 10.502 10.006 1.00 2.74 H new ATOM 0 HZ2 LYS A 56 -28.520 9.361 9.375 1.00 2.74 H new ATOM 0 HZ3 LYS A 56 -29.196 9.128 10.915 1.00 2.74 H new ATOM 863 N LYS A 57 -20.582 12.320 9.633 1.00 0.97 N ATOM 864 CA LYS A 57 -19.229 12.121 9.123 1.00 0.93 C ATOM 865 C LYS A 57 -18.838 10.638 9.237 1.00 0.94 C ATOM 866 O LYS A 57 -18.807 10.092 10.337 1.00 1.10 O ATOM 867 CB LYS A 57 -18.277 13.030 9.920 1.00 1.07 C ATOM 868 CG LYS A 57 -18.586 14.535 9.777 1.00 2.00 C ATOM 869 CD LYS A 57 -17.959 15.398 10.881 1.00 2.08 C ATOM 870 CE LYS A 57 -18.644 15.249 12.253 1.00 2.38 C ATOM 871 NZ LYS A 57 -20.029 15.798 12.273 1.00 2.95 N ATOM 0 H LYS A 57 -20.628 13.026 10.368 1.00 0.97 H new ATOM 0 HA LYS A 57 -19.168 12.387 8.068 1.00 0.93 H new ATOM 0 HB2 LYS A 57 -18.327 12.757 10.974 1.00 1.07 H new ATOM 0 HB3 LYS A 57 -17.254 12.846 9.591 1.00 1.07 H new ATOM 0 HG2 LYS A 57 -18.226 14.881 8.808 1.00 2.00 H new ATOM 0 HG3 LYS A 57 -19.667 14.678 9.785 1.00 2.00 H new ATOM 0 HD2 LYS A 57 -16.906 15.135 10.981 1.00 2.08 H new ATOM 0 HD3 LYS A 57 -17.998 16.444 10.578 1.00 2.08 H new ATOM 0 HE2 LYS A 57 -18.673 14.194 12.526 1.00 2.38 H new ATOM 0 HE3 LYS A 57 -18.046 15.758 13.009 1.00 2.38 H new ATOM 0 HZ1 LYS A 57 -20.320 15.969 13.257 1.00 2.95 H new ATOM 0 HZ2 LYS A 57 -20.055 16.693 11.744 1.00 2.95 H new ATOM 0 HZ3 LYS A 57 -20.679 15.116 11.833 1.00 2.95 H new ATOM 885 N VAL A 58 -18.536 10.023 8.100 1.00 0.89 N ATOM 886 CA VAL A 58 -18.192 8.601 7.943 1.00 0.99 C ATOM 887 C VAL A 58 -17.149 8.457 6.831 1.00 0.96 C ATOM 888 O VAL A 58 -17.156 9.235 5.880 1.00 1.26 O ATOM 889 CB VAL A 58 -19.465 7.758 7.672 1.00 1.21 C ATOM 890 CG1 VAL A 58 -20.145 8.098 6.329 1.00 1.82 C ATOM 891 CG2 VAL A 58 -19.172 6.253 7.744 1.00 2.83 C ATOM 0 H VAL A 58 -18.522 10.523 7.211 1.00 0.89 H new ATOM 0 HA VAL A 58 -17.757 8.219 8.867 1.00 0.99 H new ATOM 0 HB VAL A 58 -20.164 8.023 8.465 1.00 1.21 H new ATOM 0 HG11 VAL A 58 -21.029 7.473 6.200 1.00 1.82 H new ATOM 0 HG12 VAL A 58 -20.439 9.148 6.325 1.00 1.82 H new ATOM 0 HG13 VAL A 58 -19.448 7.913 5.511 1.00 1.82 H new ATOM 0 HG21 VAL A 58 -20.087 5.694 7.549 1.00 2.83 H new ATOM 0 HG22 VAL A 58 -18.422 5.992 6.998 1.00 2.83 H new ATOM 0 HG23 VAL A 58 -18.799 6.002 8.737 1.00 2.83 H new ATOM 901 N MET A 59 -16.208 7.523 6.958 1.00 0.83 N ATOM 902 CA MET A 59 -15.124 7.344 5.981 1.00 0.71 C ATOM 903 C MET A 59 -15.515 6.519 4.749 1.00 0.66 C ATOM 904 O MET A 59 -16.587 5.922 4.686 1.00 0.76 O ATOM 905 CB MET A 59 -13.860 6.804 6.663 1.00 0.81 C ATOM 906 CG MET A 59 -13.265 7.891 7.566 1.00 0.95 C ATOM 907 SD MET A 59 -11.613 7.502 8.194 1.00 2.46 S ATOM 908 CE MET A 59 -10.627 8.181 6.835 1.00 4.15 C ATOM 0 H MET A 59 -16.171 6.867 7.739 1.00 0.83 H new ATOM 0 HA MET A 59 -14.906 8.336 5.586 1.00 0.71 H new ATOM 0 HB2 MET A 59 -14.101 5.919 7.251 1.00 0.81 H new ATOM 0 HB3 MET A 59 -13.130 6.499 5.913 1.00 0.81 H new ATOM 0 HG2 MET A 59 -13.220 8.827 7.009 1.00 0.95 H new ATOM 0 HG3 MET A 59 -13.935 8.054 8.410 1.00 0.95 H new ATOM 0 HE1 MET A 59 -9.593 7.850 6.935 1.00 4.15 H new ATOM 0 HE2 MET A 59 -11.029 7.832 5.884 1.00 4.15 H new ATOM 0 HE3 MET A 59 -10.664 9.270 6.867 1.00 4.15 H new ATOM 918 N GLY A 60 -14.626 6.535 3.751 1.00 0.57 N ATOM 919 CA GLY A 60 -14.755 5.832 2.478 1.00 0.60 C ATOM 920 C GLY A 60 -13.408 5.537 1.817 1.00 0.60 C ATOM 921 O GLY A 60 -12.356 5.919 2.323 1.00 0.62 O ATOM 0 H GLY A 60 -13.757 7.065 3.815 1.00 0.57 H new ATOM 0 HA2 GLY A 60 -15.287 4.894 2.640 1.00 0.60 H new ATOM 0 HA3 GLY A 60 -15.363 6.430 1.799 1.00 0.60 H new ATOM 925 N MET A 61 -13.453 4.838 0.682 1.00 0.65 N ATOM 926 CA MET A 61 -12.300 4.303 -0.050 1.00 0.61 C ATOM 927 C MET A 61 -12.665 4.100 -1.519 1.00 0.59 C ATOM 928 O MET A 61 -13.819 3.833 -1.849 1.00 0.67 O ATOM 929 CB MET A 61 -11.880 3.001 0.654 1.00 0.66 C ATOM 930 CG MET A 61 -10.993 2.021 -0.135 1.00 0.73 C ATOM 931 SD MET A 61 -10.790 0.375 0.622 1.00 0.54 S ATOM 932 CE MET A 61 -10.794 0.780 2.384 1.00 1.26 C ATOM 0 H MET A 61 -14.337 4.618 0.224 1.00 0.65 H new ATOM 0 HA MET A 61 -11.456 4.993 -0.044 1.00 0.61 H new ATOM 0 HB2 MET A 61 -11.353 3.269 1.570 1.00 0.66 H new ATOM 0 HB3 MET A 61 -12.786 2.471 0.950 1.00 0.66 H new ATOM 0 HG2 MET A 61 -11.416 1.895 -1.132 1.00 0.73 H new ATOM 0 HG3 MET A 61 -10.007 2.469 -0.261 1.00 0.73 H new ATOM 0 HE1 MET A 61 -10.434 -0.076 2.955 1.00 1.26 H new ATOM 0 HE2 MET A 61 -10.142 1.635 2.562 1.00 1.26 H new ATOM 0 HE3 MET A 61 -11.808 1.025 2.699 1.00 1.26 H new ATOM 942 N ARG A 62 -11.677 4.242 -2.403 1.00 0.54 N ATOM 943 CA ARG A 62 -11.802 4.112 -3.860 1.00 0.55 C ATOM 944 C ARG A 62 -10.470 3.628 -4.443 1.00 0.48 C ATOM 945 O ARG A 62 -9.436 3.880 -3.820 1.00 0.45 O ATOM 946 CB ARG A 62 -12.134 5.483 -4.482 1.00 0.74 C ATOM 947 CG ARG A 62 -13.605 5.911 -4.376 1.00 1.51 C ATOM 948 CD ARG A 62 -13.933 7.069 -5.336 1.00 1.69 C ATOM 949 NE ARG A 62 -13.025 8.214 -5.154 1.00 2.51 N ATOM 950 CZ ARG A 62 -13.027 9.393 -5.762 1.00 3.43 C ATOM 951 NH1 ARG A 62 -13.929 9.751 -6.654 1.00 3.62 N ATOM 952 NH2 ARG A 62 -12.052 10.215 -5.455 1.00 4.35 N ATOM 0 H ARG A 62 -10.724 4.461 -2.113 1.00 0.54 H new ATOM 0 HA ARG A 62 -12.597 3.400 -4.084 1.00 0.55 H new ATOM 0 HB2 ARG A 62 -11.516 6.241 -4.001 1.00 0.74 H new ATOM 0 HB3 ARG A 62 -11.853 5.464 -5.535 1.00 0.74 H new ATOM 0 HG2 ARG A 62 -14.248 5.060 -4.600 1.00 1.51 H new ATOM 0 HG3 ARG A 62 -13.823 6.215 -3.352 1.00 1.51 H new ATOM 0 HD2 ARG A 62 -13.868 6.716 -6.365 1.00 1.69 H new ATOM 0 HD3 ARG A 62 -14.961 7.393 -5.174 1.00 1.69 H new ATOM 0 HE ARG A 62 -12.289 8.081 -4.461 1.00 2.51 H new ATOM 0 HH11 ARG A 62 -14.677 9.107 -6.910 1.00 3.62 H new ATOM 0 HH12 ARG A 62 -13.879 10.672 -7.089 1.00 3.62 H new ATOM 0 HH21 ARG A 62 -11.342 9.934 -4.779 1.00 4.35 H new ATOM 0 HH22 ARG A 62 -12.004 11.135 -5.892 1.00 4.35 H new ATOM 966 N PRO A 63 -10.457 2.975 -5.619 1.00 0.48 N ATOM 967 CA PRO A 63 -9.230 2.765 -6.368 1.00 0.48 C ATOM 968 C PRO A 63 -8.761 4.067 -7.021 1.00 0.48 C ATOM 969 O PRO A 63 -9.568 4.960 -7.265 1.00 0.49 O ATOM 970 CB PRO A 63 -9.563 1.684 -7.391 1.00 0.50 C ATOM 971 CG PRO A 63 -11.035 1.971 -7.704 1.00 0.53 C ATOM 972 CD PRO A 63 -11.593 2.442 -6.359 1.00 0.52 C ATOM 0 HA PRO A 63 -8.403 2.451 -5.731 1.00 0.48 H new ATOM 0 HB2 PRO A 63 -8.936 1.759 -8.280 1.00 0.50 H new ATOM 0 HB3 PRO A 63 -9.422 0.682 -6.985 1.00 0.50 H new ATOM 0 HG2 PRO A 63 -11.141 2.735 -8.474 1.00 0.53 H new ATOM 0 HG3 PRO A 63 -11.551 1.081 -8.065 1.00 0.53 H new ATOM 0 HD2 PRO A 63 -12.360 3.204 -6.500 1.00 0.52 H new ATOM 0 HD3 PRO A 63 -12.058 1.617 -5.819 1.00 0.52 H new ATOM 980 N VAL A 64 -7.458 4.157 -7.301 1.00 0.50 N ATOM 981 CA VAL A 64 -6.786 5.320 -7.918 1.00 0.49 C ATOM 982 C VAL A 64 -5.705 4.842 -8.913 1.00 0.47 C ATOM 983 O VAL A 64 -5.211 3.724 -8.754 1.00 0.45 O ATOM 984 CB VAL A 64 -6.190 6.281 -6.856 1.00 0.50 C ATOM 985 CG1 VAL A 64 -7.291 6.898 -5.982 1.00 0.58 C ATOM 986 CG2 VAL A 64 -5.118 5.637 -5.965 1.00 0.65 C ATOM 0 H VAL A 64 -6.811 3.395 -7.099 1.00 0.50 H new ATOM 0 HA VAL A 64 -7.537 5.889 -8.465 1.00 0.49 H new ATOM 0 HB VAL A 64 -5.694 7.065 -7.428 1.00 0.50 H new ATOM 0 HG11 VAL A 64 -6.841 7.566 -5.248 1.00 0.58 H new ATOM 0 HG12 VAL A 64 -7.981 7.461 -6.610 1.00 0.58 H new ATOM 0 HG13 VAL A 64 -7.833 6.105 -5.467 1.00 0.58 H new ATOM 0 HG21 VAL A 64 -4.750 6.372 -5.249 1.00 0.65 H new ATOM 0 HG22 VAL A 64 -5.550 4.792 -5.428 1.00 0.65 H new ATOM 0 HG23 VAL A 64 -4.291 5.289 -6.584 1.00 0.65 H new ATOM 996 N PRO A 65 -5.342 5.637 -9.949 1.00 0.50 N ATOM 997 CA PRO A 65 -4.535 5.175 -11.085 1.00 0.50 C ATOM 998 C PRO A 65 -3.033 5.142 -10.797 1.00 0.48 C ATOM 999 O PRO A 65 -2.314 4.394 -11.453 1.00 0.49 O ATOM 1000 CB PRO A 65 -4.865 6.145 -12.222 1.00 0.56 C ATOM 1001 CG PRO A 65 -5.129 7.459 -11.494 1.00 0.58 C ATOM 1002 CD PRO A 65 -5.786 7.004 -10.190 1.00 0.55 C ATOM 0 HA PRO A 65 -4.777 4.141 -11.330 1.00 0.50 H new ATOM 0 HB2 PRO A 65 -4.039 6.234 -12.927 1.00 0.56 H new ATOM 0 HB3 PRO A 65 -5.736 5.818 -12.791 1.00 0.56 H new ATOM 0 HG2 PRO A 65 -4.207 8.011 -11.310 1.00 0.58 H new ATOM 0 HG3 PRO A 65 -5.784 8.114 -12.069 1.00 0.58 H new ATOM 0 HD2 PRO A 65 -5.498 7.655 -9.365 1.00 0.55 H new ATOM 0 HD3 PRO A 65 -6.872 7.049 -10.268 1.00 0.55 H new ATOM 1010 N PHE A 66 -2.573 5.936 -9.825 1.00 0.47 N ATOM 1011 CA PHE A 66 -1.185 6.015 -9.360 1.00 0.43 C ATOM 1012 C PHE A 66 -1.057 6.976 -8.173 1.00 0.46 C ATOM 1013 O PHE A 66 -1.875 7.878 -7.991 1.00 0.56 O ATOM 1014 CB PHE A 66 -0.215 6.438 -10.478 1.00 0.42 C ATOM 1015 CG PHE A 66 -0.466 7.826 -11.011 1.00 0.45 C ATOM 1016 CD1 PHE A 66 -1.393 8.030 -12.046 1.00 2.00 C ATOM 1017 CD2 PHE A 66 0.162 8.921 -10.396 1.00 1.88 C ATOM 1018 CE1 PHE A 66 -1.693 9.344 -12.455 1.00 2.01 C ATOM 1019 CE2 PHE A 66 -0.181 10.230 -10.754 1.00 1.90 C ATOM 1020 CZ PHE A 66 -1.097 10.444 -11.801 1.00 0.51 C ATOM 0 H PHE A 66 -3.188 6.571 -9.317 1.00 0.47 H new ATOM 0 HA PHE A 66 -0.909 5.010 -9.041 1.00 0.43 H new ATOM 0 HB2 PHE A 66 0.806 6.384 -10.100 1.00 0.42 H new ATOM 0 HB3 PHE A 66 -0.289 5.725 -11.299 1.00 0.42 H new ATOM 0 HD1 PHE A 66 -1.871 7.188 -12.524 1.00 2.00 H new ATOM 0 HD2 PHE A 66 0.915 8.752 -9.641 1.00 1.88 H new ATOM 0 HE1 PHE A 66 -2.381 9.510 -13.271 1.00 2.01 H new ATOM 0 HE2 PHE A 66 0.254 11.069 -10.231 1.00 1.90 H new ATOM 0 HZ PHE A 66 -1.344 11.451 -12.104 1.00 0.51 H new ATOM 1030 N LEU A 67 0.036 6.825 -7.426 1.00 0.44 N ATOM 1031 CA LEU A 67 0.576 7.848 -6.534 1.00 0.49 C ATOM 1032 C LEU A 67 1.840 8.444 -7.159 1.00 0.48 C ATOM 1033 O LEU A 67 2.494 7.825 -8.001 1.00 0.49 O ATOM 1034 CB LEU A 67 0.910 7.269 -5.144 1.00 0.57 C ATOM 1035 CG LEU A 67 -0.139 6.340 -4.511 1.00 0.59 C ATOM 1036 CD1 LEU A 67 0.375 5.917 -3.131 1.00 0.66 C ATOM 1037 CD2 LEU A 67 -1.519 6.989 -4.386 1.00 0.64 C ATOM 0 H LEU A 67 0.584 5.965 -7.425 1.00 0.44 H new ATOM 0 HA LEU A 67 -0.181 8.621 -6.401 1.00 0.49 H new ATOM 0 HB2 LEU A 67 1.848 6.720 -5.221 1.00 0.57 H new ATOM 0 HB3 LEU A 67 1.083 8.101 -4.462 1.00 0.57 H new ATOM 0 HG LEU A 67 -0.272 5.478 -5.165 1.00 0.59 H new ATOM 0 HD11 LEU A 67 -0.352 5.256 -2.659 1.00 0.66 H new ATOM 0 HD12 LEU A 67 1.324 5.393 -3.241 1.00 0.66 H new ATOM 0 HD13 LEU A 67 0.519 6.801 -2.510 1.00 0.66 H new ATOM 0 HD21 LEU A 67 -2.214 6.282 -3.932 1.00 0.64 H new ATOM 0 HD22 LEU A 67 -1.447 7.879 -3.761 1.00 0.64 H new ATOM 0 HD23 LEU A 67 -1.881 7.269 -5.376 1.00 0.64 H new ATOM 1049 N GLU A 68 2.201 9.637 -6.718 1.00 0.50 N ATOM 1050 CA GLU A 68 3.441 10.313 -7.095 1.00 0.56 C ATOM 1051 C GLU A 68 4.134 10.864 -5.859 1.00 0.71 C ATOM 1052 O GLU A 68 3.467 11.206 -4.883 1.00 0.86 O ATOM 1053 CB GLU A 68 3.148 11.431 -8.097 1.00 0.75 C ATOM 1054 CG GLU A 68 4.395 12.281 -8.408 1.00 0.76 C ATOM 1055 CD GLU A 68 4.248 13.021 -9.738 1.00 1.06 C ATOM 1056 OE1 GLU A 68 3.103 13.223 -10.200 1.00 2.28 O ATOM 1057 OE2 GLU A 68 5.265 13.220 -10.433 1.00 1.62 O ATOM 0 H GLU A 68 1.629 10.180 -6.071 1.00 0.50 H new ATOM 0 HA GLU A 68 4.108 9.593 -7.570 1.00 0.56 H new ATOM 0 HB2 GLU A 68 2.768 10.996 -9.021 1.00 0.75 H new ATOM 0 HB3 GLU A 68 2.362 12.074 -7.700 1.00 0.75 H new ATOM 0 HG2 GLU A 68 4.556 13.001 -7.605 1.00 0.76 H new ATOM 0 HG3 GLU A 68 5.275 11.639 -8.442 1.00 0.76 H new ATOM 1064 N VAL A 69 5.470 10.934 -5.916 1.00 0.78 N ATOM 1065 CA VAL A 69 6.301 11.359 -4.799 1.00 0.90 C ATOM 1066 C VAL A 69 7.518 12.178 -5.258 1.00 0.96 C ATOM 1067 O VAL A 69 8.134 11.826 -6.265 1.00 0.97 O ATOM 1068 CB VAL A 69 6.772 10.121 -3.985 1.00 0.96 C ATOM 1069 CG1 VAL A 69 7.498 10.493 -2.677 1.00 1.13 C ATOM 1070 CG2 VAL A 69 5.612 9.181 -3.609 1.00 1.02 C ATOM 0 H VAL A 69 6.003 10.693 -6.751 1.00 0.78 H new ATOM 0 HA VAL A 69 5.691 12.005 -4.168 1.00 0.90 H new ATOM 0 HB VAL A 69 7.465 9.616 -4.658 1.00 0.96 H new ATOM 0 HG11 VAL A 69 7.800 9.584 -2.157 1.00 1.13 H new ATOM 0 HG12 VAL A 69 8.381 11.090 -2.908 1.00 1.13 H new ATOM 0 HG13 VAL A 69 6.827 11.069 -2.040 1.00 1.13 H new ATOM 0 HG21 VAL A 69 5.999 8.334 -3.042 1.00 1.02 H new ATOM 0 HG22 VAL A 69 4.887 9.723 -3.002 1.00 1.02 H new ATOM 0 HG23 VAL A 69 5.128 8.819 -4.516 1.00 1.02 H new ATOM 1080 N PRO A 70 7.874 13.269 -4.546 1.00 1.09 N ATOM 1081 CA PRO A 70 9.047 14.084 -4.844 1.00 1.24 C ATOM 1082 C PRO A 70 10.357 13.415 -4.379 1.00 1.28 C ATOM 1083 O PRO A 70 10.346 12.606 -3.448 1.00 1.32 O ATOM 1084 CB PRO A 70 8.814 15.414 -4.119 1.00 1.39 C ATOM 1085 CG PRO A 70 7.993 15.000 -2.900 1.00 1.35 C ATOM 1086 CD PRO A 70 7.117 13.882 -3.459 1.00 1.17 C ATOM 0 HA PRO A 70 9.164 14.221 -5.919 1.00 1.24 H new ATOM 0 HB2 PRO A 70 9.753 15.887 -3.832 1.00 1.39 H new ATOM 0 HB3 PRO A 70 8.277 16.126 -4.745 1.00 1.39 H new ATOM 0 HG2 PRO A 70 8.625 14.651 -2.084 1.00 1.35 H new ATOM 0 HG3 PRO A 70 7.398 15.826 -2.511 1.00 1.35 H new ATOM 0 HD2 PRO A 70 6.883 13.149 -2.687 1.00 1.17 H new ATOM 0 HD3 PRO A 70 6.168 14.277 -3.821 1.00 1.17 H new ATOM 1094 N PRO A 71 11.499 13.786 -4.990 1.00 1.31 N ATOM 1095 CA PRO A 71 12.808 13.223 -4.678 1.00 1.32 C ATOM 1096 C PRO A 71 13.224 13.448 -3.223 1.00 1.41 C ATOM 1097 O PRO A 71 12.952 14.497 -2.644 1.00 1.52 O ATOM 1098 CB PRO A 71 13.780 13.854 -5.672 1.00 1.37 C ATOM 1099 CG PRO A 71 13.092 15.132 -6.136 1.00 1.44 C ATOM 1100 CD PRO A 71 11.616 14.770 -6.059 1.00 1.37 C ATOM 0 HA PRO A 71 12.795 12.138 -4.777 1.00 1.32 H new ATOM 0 HB2 PRO A 71 14.740 14.070 -5.203 1.00 1.37 H new ATOM 0 HB3 PRO A 71 13.978 13.185 -6.510 1.00 1.37 H new ATOM 0 HG2 PRO A 71 13.335 15.978 -5.493 1.00 1.44 H new ATOM 0 HG3 PRO A 71 13.389 15.406 -7.148 1.00 1.44 H new ATOM 0 HD2 PRO A 71 11.009 15.650 -5.847 1.00 1.37 H new ATOM 0 HD3 PRO A 71 11.265 14.361 -7.006 1.00 1.37 H new ATOM 1108 N LYS A 72 13.850 12.421 -2.627 1.00 1.44 N ATOM 1109 CA LYS A 72 14.289 12.337 -1.219 1.00 1.63 C ATOM 1110 C LYS A 72 13.131 12.360 -0.199 1.00 1.65 C ATOM 1111 O LYS A 72 13.340 12.258 1.008 1.00 1.89 O ATOM 1112 CB LYS A 72 15.388 13.376 -0.949 1.00 1.81 C ATOM 1113 CG LYS A 72 16.765 12.975 -1.499 1.00 2.41 C ATOM 1114 CD LYS A 72 16.846 12.486 -2.958 1.00 1.59 C ATOM 1115 CE LYS A 72 18.260 12.091 -3.402 1.00 2.18 C ATOM 1116 NZ LYS A 72 19.192 13.236 -3.464 1.00 2.10 N ATOM 0 H LYS A 72 14.079 11.573 -3.145 1.00 1.44 H new ATOM 0 HA LYS A 72 14.727 11.351 -1.065 1.00 1.63 H new ATOM 0 HB2 LYS A 72 15.093 14.327 -1.391 1.00 1.81 H new ATOM 0 HB3 LYS A 72 15.468 13.536 0.126 1.00 1.81 H new ATOM 0 HG2 LYS A 72 17.428 13.834 -1.397 1.00 2.41 H new ATOM 0 HG3 LYS A 72 17.163 12.187 -0.860 1.00 2.41 H new ATOM 0 HD2 LYS A 72 16.184 11.629 -3.081 1.00 1.59 H new ATOM 0 HD3 LYS A 72 16.475 13.272 -3.616 1.00 1.59 H new ATOM 0 HE2 LYS A 72 18.656 11.346 -2.712 1.00 2.18 H new ATOM 0 HE3 LYS A 72 18.207 11.620 -4.384 1.00 2.18 H new ATOM 0 HZ1 LYS A 72 20.081 12.936 -3.913 1.00 2.10 H new ATOM 0 HZ2 LYS A 72 18.764 14.002 -4.022 1.00 2.10 H new ATOM 0 HZ3 LYS A 72 19.388 13.577 -2.501 1.00 2.10 H new ATOM 1130 N GLY A 73 11.904 12.393 -0.713 1.00 1.48 N ATOM 1131 CA GLY A 73 10.635 12.240 0.008 1.00 1.53 C ATOM 1132 C GLY A 73 10.294 10.781 0.346 1.00 1.44 C ATOM 1133 O GLY A 73 11.035 9.850 0.026 1.00 1.45 O ATOM 0 H GLY A 73 11.756 12.537 -1.712 1.00 1.48 H new ATOM 0 HA2 GLY A 73 10.679 12.818 0.931 1.00 1.53 H new ATOM 0 HA3 GLY A 73 9.831 12.663 -0.594 1.00 1.53 H new ATOM 1137 N ARG A 74 9.146 10.599 1.010 1.00 1.60 N ATOM 1138 CA ARG A 74 8.643 9.333 1.564 1.00 1.51 C ATOM 1139 C ARG A 74 7.488 8.785 0.717 1.00 1.89 C ATOM 1140 O ARG A 74 6.473 9.455 0.550 1.00 2.64 O ATOM 1141 CB ARG A 74 8.148 9.579 3.000 1.00 2.25 C ATOM 1142 CG ARG A 74 9.271 9.574 4.056 1.00 1.57 C ATOM 1143 CD ARG A 74 9.461 8.193 4.703 1.00 1.70 C ATOM 1144 NE ARG A 74 8.925 8.056 6.068 1.00 2.47 N ATOM 1145 CZ ARG A 74 7.670 8.214 6.453 1.00 3.43 C ATOM 1146 NH1 ARG A 74 6.808 9.020 5.875 1.00 4.29 N ATOM 1147 NH2 ARG A 74 7.226 7.494 7.445 1.00 4.51 N ATOM 0 H ARG A 74 8.506 11.374 1.186 1.00 1.60 H new ATOM 0 HA ARG A 74 9.451 8.601 1.559 1.00 1.51 H new ATOM 0 HB2 ARG A 74 7.632 10.538 3.037 1.00 2.25 H new ATOM 0 HB3 ARG A 74 7.416 8.813 3.258 1.00 2.25 H new ATOM 0 HG2 ARG A 74 10.206 9.885 3.590 1.00 1.57 H new ATOM 0 HG3 ARG A 74 9.041 10.306 4.830 1.00 1.57 H new ATOM 0 HD2 ARG A 74 8.987 7.445 4.068 1.00 1.70 H new ATOM 0 HD3 ARG A 74 10.526 7.964 4.725 1.00 1.70 H new ATOM 0 HE ARG A 74 9.596 7.812 6.797 1.00 2.47 H new ATOM 0 HH11 ARG A 74 7.092 9.578 5.070 1.00 4.29 H new ATOM 0 HH12 ARG A 74 5.855 9.087 6.231 1.00 4.29 H new ATOM 0 HH21 ARG A 74 7.843 6.826 7.907 1.00 4.51 H new ATOM 0 HH22 ARG A 74 6.261 7.599 7.759 1.00 4.51 H new ATOM 1161 N VAL A 75 7.615 7.548 0.248 1.00 2.02 N ATOM 1162 CA VAL A 75 6.671 6.836 -0.629 1.00 3.07 C ATOM 1163 C VAL A 75 5.739 5.996 0.250 1.00 2.34 C ATOM 1164 O VAL A 75 5.909 4.789 0.397 1.00 2.31 O ATOM 1165 CB VAL A 75 7.419 5.968 -1.678 1.00 4.43 C ATOM 1166 CG1 VAL A 75 6.466 5.316 -2.698 1.00 5.57 C ATOM 1167 CG2 VAL A 75 8.516 6.732 -2.440 1.00 5.29 C ATOM 0 H VAL A 75 8.426 6.975 0.480 1.00 2.02 H new ATOM 0 HA VAL A 75 6.079 7.553 -1.198 1.00 3.07 H new ATOM 0 HB VAL A 75 7.896 5.189 -1.084 1.00 4.43 H new ATOM 0 HG11 VAL A 75 7.043 4.722 -3.407 1.00 5.57 H new ATOM 0 HG12 VAL A 75 5.759 4.672 -2.175 1.00 5.57 H new ATOM 0 HG13 VAL A 75 5.921 6.093 -3.235 1.00 5.57 H new ATOM 0 HG21 VAL A 75 8.995 6.063 -3.155 1.00 5.29 H new ATOM 0 HG22 VAL A 75 8.071 7.573 -2.972 1.00 5.29 H new ATOM 0 HG23 VAL A 75 9.260 7.101 -1.734 1.00 5.29 H new ATOM 1177 N GLU A 76 4.823 6.679 0.940 1.00 2.02 N ATOM 1178 CA GLU A 76 4.170 6.172 2.128 1.00 1.20 C ATOM 1179 C GLU A 76 2.657 6.030 1.929 1.00 1.05 C ATOM 1180 O GLU A 76 1.908 7.001 1.772 1.00 1.28 O ATOM 1181 CB GLU A 76 4.553 7.121 3.263 1.00 1.66 C ATOM 1182 CG GLU A 76 4.071 6.637 4.624 1.00 2.00 C ATOM 1183 CD GLU A 76 3.828 7.793 5.594 1.00 2.13 C ATOM 1184 OE1 GLU A 76 3.034 8.703 5.259 1.00 2.97 O ATOM 1185 OE2 GLU A 76 4.496 7.821 6.650 1.00 2.54 O ATOM 0 H GLU A 76 4.516 7.615 0.676 1.00 2.02 H new ATOM 0 HA GLU A 76 4.499 5.161 2.367 1.00 1.20 H new ATOM 0 HB2 GLU A 76 5.637 7.234 3.286 1.00 1.66 H new ATOM 0 HB3 GLU A 76 4.133 8.107 3.063 1.00 1.66 H new ATOM 0 HG2 GLU A 76 3.149 6.069 4.500 1.00 2.00 H new ATOM 0 HG3 GLU A 76 4.810 5.957 5.049 1.00 2.00 H new ATOM 1192 N LEU A 77 2.214 4.782 1.983 1.00 0.77 N ATOM 1193 CA LEU A 77 0.829 4.356 1.959 1.00 0.75 C ATOM 1194 C LEU A 77 0.309 4.367 3.402 1.00 1.00 C ATOM 1195 O LEU A 77 0.222 3.338 4.069 1.00 2.03 O ATOM 1196 CB LEU A 77 0.771 2.971 1.288 1.00 0.70 C ATOM 1197 CG LEU A 77 0.784 3.016 -0.255 1.00 0.72 C ATOM 1198 CD1 LEU A 77 2.085 3.547 -0.876 1.00 0.66 C ATOM 1199 CD2 LEU A 77 0.564 1.610 -0.804 1.00 1.08 C ATOM 0 H LEU A 77 2.856 3.992 2.049 1.00 0.77 H new ATOM 0 HA LEU A 77 0.187 5.020 1.380 1.00 0.75 H new ATOM 0 HB2 LEU A 77 1.619 2.378 1.630 1.00 0.70 H new ATOM 0 HB3 LEU A 77 -0.132 2.457 1.618 1.00 0.70 H new ATOM 0 HG LEU A 77 -0.012 3.710 -0.525 1.00 0.72 H new ATOM 0 HD11 LEU A 77 1.999 3.541 -1.963 1.00 0.66 H new ATOM 0 HD12 LEU A 77 2.263 4.566 -0.532 1.00 0.66 H new ATOM 0 HD13 LEU A 77 2.918 2.912 -0.575 1.00 0.66 H new ATOM 0 HD21 LEU A 77 0.573 1.639 -1.894 1.00 1.08 H new ATOM 0 HD22 LEU A 77 1.360 0.953 -0.452 1.00 1.08 H new ATOM 0 HD23 LEU A 77 -0.398 1.231 -0.459 1.00 1.08 H new ATOM 1211 N LYS A 78 0.052 5.555 3.944 1.00 0.87 N ATOM 1212 CA LYS A 78 -0.395 5.690 5.333 1.00 0.96 C ATOM 1213 C LYS A 78 -1.797 5.087 5.592 1.00 0.88 C ATOM 1214 O LYS A 78 -2.682 5.224 4.741 1.00 0.96 O ATOM 1215 CB LYS A 78 -0.310 7.150 5.824 1.00 1.27 C ATOM 1216 CG LYS A 78 -1.286 8.166 5.187 1.00 1.16 C ATOM 1217 CD LYS A 78 -1.009 8.550 3.721 1.00 2.10 C ATOM 1218 CE LYS A 78 0.460 8.923 3.475 1.00 2.29 C ATOM 1219 NZ LYS A 78 0.933 10.007 4.362 1.00 2.31 N ATOM 0 H LYS A 78 0.145 6.440 3.445 1.00 0.87 H new ATOM 0 HA LYS A 78 0.302 5.096 5.924 1.00 0.96 H new ATOM 0 HB2 LYS A 78 -0.473 7.154 6.902 1.00 1.27 H new ATOM 0 HB3 LYS A 78 0.706 7.505 5.654 1.00 1.27 H new ATOM 0 HG2 LYS A 78 -2.294 7.757 5.249 1.00 1.16 H new ATOM 0 HG3 LYS A 78 -1.273 9.076 5.787 1.00 1.16 H new ATOM 0 HD2 LYS A 78 -1.282 7.717 3.073 1.00 2.10 H new ATOM 0 HD3 LYS A 78 -1.645 9.391 3.443 1.00 2.10 H new ATOM 0 HE2 LYS A 78 1.083 8.041 3.623 1.00 2.29 H new ATOM 0 HE3 LYS A 78 0.583 9.230 2.436 1.00 2.29 H new ATOM 0 HZ1 LYS A 78 1.323 10.781 3.787 1.00 2.31 H new ATOM 0 HZ2 LYS A 78 0.137 10.364 4.929 1.00 2.31 H new ATOM 0 HZ3 LYS A 78 1.672 9.640 4.995 1.00 2.31 H new ATOM 1233 N PRO A 79 -2.050 4.534 6.798 1.00 1.08 N ATOM 1234 CA PRO A 79 -3.403 4.249 7.256 1.00 1.39 C ATOM 1235 C PRO A 79 -4.200 5.549 7.330 1.00 1.56 C ATOM 1236 O PRO A 79 -3.647 6.620 7.580 1.00 3.35 O ATOM 1237 CB PRO A 79 -3.257 3.565 8.618 1.00 1.69 C ATOM 1238 CG PRO A 79 -1.963 4.172 9.152 1.00 1.57 C ATOM 1239 CD PRO A 79 -1.111 4.310 7.890 1.00 1.40 C ATOM 0 HA PRO A 79 -3.950 3.595 6.577 1.00 1.39 H new ATOM 0 HB2 PRO A 79 -4.104 3.775 9.271 1.00 1.69 H new ATOM 0 HB3 PRO A 79 -3.189 2.481 8.523 1.00 1.69 H new ATOM 0 HG2 PRO A 79 -2.135 5.136 9.632 1.00 1.57 H new ATOM 0 HG3 PRO A 79 -1.489 3.528 9.892 1.00 1.57 H new ATOM 0 HD2 PRO A 79 -0.411 5.141 7.980 1.00 1.40 H new ATOM 0 HD3 PRO A 79 -0.519 3.411 7.718 1.00 1.40 H new ATOM 1247 N GLY A 80 -5.503 5.444 7.059 1.00 1.40 N ATOM 1248 CA GLY A 80 -6.389 6.605 6.929 1.00 1.36 C ATOM 1249 C GLY A 80 -6.352 7.256 5.542 1.00 1.37 C ATOM 1250 O GLY A 80 -7.152 8.154 5.296 1.00 2.15 O ATOM 0 H GLY A 80 -5.975 4.550 6.923 1.00 1.40 H new ATOM 0 HA2 GLY A 80 -7.411 6.297 7.149 1.00 1.36 H new ATOM 0 HA3 GLY A 80 -6.112 7.348 7.677 1.00 1.36 H new ATOM 1254 N GLY A 81 -5.467 6.813 4.635 1.00 0.82 N ATOM 1255 CA GLY A 81 -5.447 7.254 3.238 1.00 0.80 C ATOM 1256 C GLY A 81 -4.988 6.177 2.263 1.00 0.77 C ATOM 1257 O GLY A 81 -5.610 5.121 2.130 1.00 1.48 O ATOM 0 H GLY A 81 -4.740 6.133 4.856 1.00 0.82 H new ATOM 0 HA2 GLY A 81 -6.447 7.585 2.956 1.00 0.80 H new ATOM 0 HA3 GLY A 81 -4.788 8.118 3.148 1.00 0.80 H new ATOM 1261 N TYR A 82 -3.918 6.452 1.520 1.00 0.83 N ATOM 1262 CA TYR A 82 -3.560 5.621 0.376 1.00 0.80 C ATOM 1263 C TYR A 82 -2.971 4.292 0.821 1.00 0.80 C ATOM 1264 O TYR A 82 -2.193 4.220 1.762 1.00 0.92 O ATOM 1265 CB TYR A 82 -2.571 6.339 -0.537 1.00 0.86 C ATOM 1266 CG TYR A 82 -3.160 7.548 -1.222 1.00 0.85 C ATOM 1267 CD1 TYR A 82 -4.019 7.354 -2.315 1.00 1.97 C ATOM 1268 CD2 TYR A 82 -2.858 8.851 -0.784 1.00 1.67 C ATOM 1269 CE1 TYR A 82 -4.545 8.455 -3.003 1.00 2.03 C ATOM 1270 CE2 TYR A 82 -3.399 9.964 -1.461 1.00 1.64 C ATOM 1271 CZ TYR A 82 -4.235 9.767 -2.587 1.00 0.93 C ATOM 1272 OH TYR A 82 -4.730 10.831 -3.277 1.00 1.01 O ATOM 0 H TYR A 82 -3.289 7.237 1.689 1.00 0.83 H new ATOM 0 HA TYR A 82 -4.478 5.428 -0.180 1.00 0.80 H new ATOM 0 HB2 TYR A 82 -1.705 6.648 0.048 1.00 0.86 H new ATOM 0 HB3 TYR A 82 -2.212 5.641 -1.293 1.00 0.86 H new ATOM 0 HD1 TYR A 82 -4.275 6.352 -2.627 1.00 1.97 H new ATOM 0 HD2 TYR A 82 -2.213 8.999 0.069 1.00 1.67 H new ATOM 0 HE1 TYR A 82 -5.190 8.299 -3.855 1.00 2.03 H new ATOM 0 HE2 TYR A 82 -3.176 10.965 -1.121 1.00 1.64 H new ATOM 0 HH TYR A 82 -4.423 11.663 -2.860 1.00 1.01 H new ATOM 1282 N HIS A 83 -3.373 3.233 0.140 1.00 0.70 N ATOM 1283 CA HIS A 83 -2.980 1.866 0.459 1.00 0.67 C ATOM 1284 C HIS A 83 -3.180 0.934 -0.735 1.00 0.57 C ATOM 1285 O HIS A 83 -4.090 1.145 -1.539 1.00 0.57 O ATOM 1286 CB HIS A 83 -3.716 1.370 1.708 1.00 0.71 C ATOM 1287 CG HIS A 83 -5.201 1.237 1.526 1.00 0.63 C ATOM 1288 ND1 HIS A 83 -6.119 2.265 1.563 1.00 0.64 N ATOM 1289 CD2 HIS A 83 -5.865 0.098 1.151 1.00 0.58 C ATOM 1290 CE1 HIS A 83 -7.303 1.760 1.185 1.00 0.57 C ATOM 1291 NE2 HIS A 83 -7.198 0.444 0.948 1.00 0.54 N ATOM 0 H HIS A 83 -3.994 3.298 -0.667 1.00 0.70 H new ATOM 0 HA HIS A 83 -1.913 1.861 0.683 1.00 0.67 H new ATOM 0 HB2 HIS A 83 -3.307 0.402 1.998 1.00 0.71 H new ATOM 0 HB3 HIS A 83 -3.521 2.058 2.530 1.00 0.71 H new ATOM 0 HD1 HIS A 83 -5.932 3.232 1.829 1.00 0.64 H new ATOM 0 HD2 HIS A 83 -5.434 -0.885 1.035 1.00 0.58 H new ATOM 0 HE1 HIS A 83 -8.213 2.333 1.085 1.00 0.57 H new ATOM 1299 N PHE A 84 -2.399 -0.143 -0.801 1.00 0.52 N ATOM 1300 CA PHE A 84 -2.702 -1.263 -1.680 1.00 0.45 C ATOM 1301 C PHE A 84 -3.765 -2.143 -1.013 1.00 0.48 C ATOM 1302 O PHE A 84 -3.682 -2.407 0.186 1.00 0.67 O ATOM 1303 CB PHE A 84 -1.428 -2.070 -1.959 1.00 0.43 C ATOM 1304 CG PHE A 84 -0.386 -1.364 -2.803 1.00 0.44 C ATOM 1305 CD1 PHE A 84 -0.716 -0.909 -4.093 1.00 1.67 C ATOM 1306 CD2 PHE A 84 0.922 -1.181 -2.314 1.00 1.71 C ATOM 1307 CE1 PHE A 84 0.248 -0.266 -4.882 1.00 1.64 C ATOM 1308 CE2 PHE A 84 1.881 -0.518 -3.101 1.00 1.80 C ATOM 1309 CZ PHE A 84 1.545 -0.060 -4.381 1.00 0.68 C ATOM 0 H PHE A 84 -1.548 -0.260 -0.251 1.00 0.52 H new ATOM 0 HA PHE A 84 -3.085 -0.896 -2.632 1.00 0.45 H new ATOM 0 HB2 PHE A 84 -0.975 -2.344 -1.006 1.00 0.43 H new ATOM 0 HB3 PHE A 84 -1.707 -2.998 -2.458 1.00 0.43 H new ATOM 0 HD1 PHE A 84 -1.715 -1.056 -4.476 1.00 1.67 H new ATOM 0 HD2 PHE A 84 1.189 -1.550 -1.335 1.00 1.71 H new ATOM 0 HE1 PHE A 84 -0.006 0.071 -5.876 1.00 1.64 H new ATOM 0 HE2 PHE A 84 2.878 -0.362 -2.717 1.00 1.80 H new ATOM 0 HZ PHE A 84 2.282 0.451 -4.983 1.00 0.68 H new ATOM 1319 N MET A 85 -4.730 -2.638 -1.783 1.00 0.38 N ATOM 1320 CA MET A 85 -5.672 -3.702 -1.421 1.00 0.38 C ATOM 1321 C MET A 85 -5.183 -5.006 -2.059 1.00 0.36 C ATOM 1322 O MET A 85 -5.042 -5.065 -3.279 1.00 0.42 O ATOM 1323 CB MET A 85 -7.069 -3.344 -1.925 1.00 0.44 C ATOM 1324 CG MET A 85 -8.180 -4.048 -1.135 1.00 0.53 C ATOM 1325 SD MET A 85 -8.893 -3.059 0.224 1.00 0.67 S ATOM 1326 CE MET A 85 -8.134 -3.873 1.650 1.00 1.15 C ATOM 0 H MET A 85 -4.887 -2.291 -2.729 1.00 0.38 H new ATOM 0 HA MET A 85 -5.723 -3.820 -0.339 1.00 0.38 H new ATOM 0 HB2 MET A 85 -7.209 -2.265 -1.859 1.00 0.44 H new ATOM 0 HB3 MET A 85 -7.151 -3.613 -2.978 1.00 0.44 H new ATOM 0 HG2 MET A 85 -8.979 -4.323 -1.824 1.00 0.53 H new ATOM 0 HG3 MET A 85 -7.782 -4.975 -0.722 1.00 0.53 H new ATOM 0 HE1 MET A 85 -8.382 -3.323 2.558 1.00 1.15 H new ATOM 0 HE2 MET A 85 -8.510 -4.893 1.730 1.00 1.15 H new ATOM 0 HE3 MET A 85 -7.052 -3.895 1.523 1.00 1.15 H new ATOM 1336 N LEU A 86 -4.903 -6.028 -1.253 1.00 0.43 N ATOM 1337 CA LEU A 86 -4.335 -7.313 -1.674 1.00 0.44 C ATOM 1338 C LEU A 86 -5.458 -8.353 -1.676 1.00 0.47 C ATOM 1339 O LEU A 86 -6.026 -8.618 -0.617 1.00 0.57 O ATOM 1340 CB LEU A 86 -3.244 -7.726 -0.662 1.00 0.49 C ATOM 1341 CG LEU A 86 -1.856 -7.066 -0.784 1.00 0.56 C ATOM 1342 CD1 LEU A 86 -1.875 -5.536 -0.672 1.00 1.07 C ATOM 1343 CD2 LEU A 86 -0.946 -7.623 0.324 1.00 1.21 C ATOM 0 H LEU A 86 -5.071 -5.985 -0.248 1.00 0.43 H new ATOM 0 HA LEU A 86 -3.897 -7.238 -2.669 1.00 0.44 H new ATOM 0 HB2 LEU A 86 -3.623 -7.523 0.339 1.00 0.49 H new ATOM 0 HB3 LEU A 86 -3.109 -8.805 -0.739 1.00 0.49 H new ATOM 0 HG LEU A 86 -1.489 -7.303 -1.782 1.00 0.56 H new ATOM 0 HD11 LEU A 86 -0.860 -5.151 -0.768 1.00 1.07 H new ATOM 0 HD12 LEU A 86 -2.497 -5.121 -1.465 1.00 1.07 H new ATOM 0 HD13 LEU A 86 -2.282 -5.247 0.297 1.00 1.07 H new ATOM 0 HD21 LEU A 86 0.040 -7.164 0.250 1.00 1.21 H new ATOM 0 HD22 LEU A 86 -1.379 -7.397 1.298 1.00 1.21 H new ATOM 0 HD23 LEU A 86 -0.853 -8.703 0.210 1.00 1.21 H new ATOM 1355 N LEU A 87 -5.802 -8.940 -2.827 1.00 0.51 N ATOM 1356 CA LEU A 87 -6.941 -9.859 -2.944 1.00 0.59 C ATOM 1357 C LEU A 87 -6.506 -11.268 -3.343 1.00 0.60 C ATOM 1358 O LEU A 87 -5.542 -11.451 -4.083 1.00 0.64 O ATOM 1359 CB LEU A 87 -7.968 -9.319 -3.952 1.00 0.76 C ATOM 1360 CG LEU A 87 -8.631 -7.996 -3.515 1.00 1.01 C ATOM 1361 CD1 LEU A 87 -7.942 -6.781 -4.149 1.00 1.99 C ATOM 1362 CD2 LEU A 87 -10.108 -8.013 -3.913 1.00 2.03 C ATOM 0 H LEU A 87 -5.300 -8.792 -3.703 1.00 0.51 H new ATOM 0 HA LEU A 87 -7.403 -9.924 -1.959 1.00 0.59 H new ATOM 0 HB2 LEU A 87 -7.476 -9.168 -4.913 1.00 0.76 H new ATOM 0 HB3 LEU A 87 -8.743 -10.070 -4.105 1.00 0.76 H new ATOM 0 HG LEU A 87 -8.533 -7.910 -2.433 1.00 1.01 H new ATOM 0 HD11 LEU A 87 -8.437 -5.868 -3.818 1.00 1.99 H new ATOM 0 HD12 LEU A 87 -6.895 -6.757 -3.846 1.00 1.99 H new ATOM 0 HD13 LEU A 87 -8.004 -6.853 -5.235 1.00 1.99 H new ATOM 0 HD21 LEU A 87 -10.579 -7.079 -3.605 1.00 2.03 H new ATOM 0 HD22 LEU A 87 -10.192 -8.123 -4.994 1.00 2.03 H new ATOM 0 HD23 LEU A 87 -10.607 -8.849 -3.424 1.00 2.03 H new ATOM 1374 N GLY A 88 -7.248 -12.271 -2.865 1.00 0.63 N ATOM 1375 CA GLY A 88 -7.084 -13.679 -3.257 1.00 0.68 C ATOM 1376 C GLY A 88 -5.878 -14.348 -2.600 1.00 0.78 C ATOM 1377 O GLY A 88 -5.172 -15.106 -3.260 1.00 1.51 O ATOM 0 H GLY A 88 -7.993 -12.128 -2.183 1.00 0.63 H new ATOM 0 HA2 GLY A 88 -7.986 -14.231 -2.993 1.00 0.68 H new ATOM 0 HA3 GLY A 88 -6.979 -13.738 -4.340 1.00 0.68 H new ATOM 1381 N LEU A 89 -5.604 -13.998 -1.338 1.00 0.64 N ATOM 1382 CA LEU A 89 -4.401 -14.351 -0.583 1.00 0.58 C ATOM 1383 C LEU A 89 -3.938 -15.801 -0.649 1.00 0.74 C ATOM 1384 O LEU A 89 -4.708 -16.746 -0.790 1.00 1.07 O ATOM 1385 CB LEU A 89 -4.486 -13.974 0.900 1.00 0.65 C ATOM 1386 CG LEU A 89 -5.128 -12.625 1.272 1.00 0.61 C ATOM 1387 CD1 LEU A 89 -4.956 -12.465 2.782 1.00 0.79 C ATOM 1388 CD2 LEU A 89 -4.493 -11.425 0.555 1.00 0.50 C ATOM 0 H LEU A 89 -6.251 -13.431 -0.789 1.00 0.64 H new ATOM 0 HA LEU A 89 -3.660 -13.751 -1.111 1.00 0.58 H new ATOM 0 HB2 LEU A 89 -5.042 -14.760 1.412 1.00 0.65 H new ATOM 0 HB3 LEU A 89 -3.474 -13.984 1.305 1.00 0.65 H new ATOM 0 HG LEU A 89 -6.173 -12.636 0.962 1.00 0.61 H new ATOM 0 HD11 LEU A 89 -5.396 -11.520 3.100 1.00 0.79 H new ATOM 0 HD12 LEU A 89 -5.454 -13.288 3.294 1.00 0.79 H new ATOM 0 HD13 LEU A 89 -3.895 -12.473 3.030 1.00 0.79 H new ATOM 0 HD21 LEU A 89 -4.995 -10.509 0.865 1.00 0.50 H new ATOM 0 HD22 LEU A 89 -3.436 -11.365 0.813 1.00 0.50 H new ATOM 0 HD23 LEU A 89 -4.597 -11.549 -0.523 1.00 0.50 H new ATOM 1400 N LYS A 90 -2.623 -15.938 -0.480 1.00 0.61 N ATOM 1401 CA LYS A 90 -1.919 -17.221 -0.617 1.00 0.66 C ATOM 1402 C LYS A 90 -1.311 -17.726 0.697 1.00 0.80 C ATOM 1403 O LYS A 90 -1.257 -18.923 0.969 1.00 0.94 O ATOM 1404 CB LYS A 90 -0.863 -17.117 -1.719 1.00 0.59 C ATOM 1405 CG LYS A 90 -1.303 -16.417 -3.029 1.00 0.69 C ATOM 1406 CD LYS A 90 -2.528 -17.118 -3.605 1.00 1.34 C ATOM 1407 CE LYS A 90 -3.019 -16.609 -4.963 1.00 1.60 C ATOM 1408 NZ LYS A 90 -4.413 -17.068 -5.183 1.00 2.57 N ATOM 0 H LYS A 90 -2.009 -15.159 -0.243 1.00 0.61 H new ATOM 0 HA LYS A 90 -2.661 -17.968 -0.898 1.00 0.66 H new ATOM 0 HB2 LYS A 90 -0.002 -16.582 -1.318 1.00 0.59 H new ATOM 0 HB3 LYS A 90 -0.526 -18.124 -1.966 1.00 0.59 H new ATOM 0 HG2 LYS A 90 -1.531 -15.369 -2.833 1.00 0.69 H new ATOM 0 HG3 LYS A 90 -0.488 -16.436 -3.753 1.00 0.69 H new ATOM 0 HD2 LYS A 90 -2.303 -18.181 -3.698 1.00 1.34 H new ATOM 0 HD3 LYS A 90 -3.344 -17.026 -2.889 1.00 1.34 H new ATOM 0 HE2 LYS A 90 -2.973 -15.520 -4.995 1.00 1.60 H new ATOM 0 HE3 LYS A 90 -2.372 -16.979 -5.759 1.00 1.60 H new ATOM 0 HZ1 LYS A 90 -4.733 -16.768 -6.126 1.00 2.57 H new ATOM 0 HZ2 LYS A 90 -4.451 -18.105 -5.119 1.00 2.57 H new ATOM 0 HZ3 LYS A 90 -5.033 -16.653 -4.459 1.00 2.57 H new ATOM 1422 N ARG A 91 -0.911 -16.782 1.548 1.00 0.91 N ATOM 1423 CA ARG A 91 -0.784 -16.989 2.987 1.00 1.04 C ATOM 1424 C ARG A 91 -2.030 -16.387 3.660 1.00 0.85 C ATOM 1425 O ARG A 91 -2.254 -15.193 3.460 1.00 0.89 O ATOM 1426 CB ARG A 91 0.474 -16.287 3.530 1.00 1.30 C ATOM 1427 CG ARG A 91 1.804 -16.948 3.122 1.00 1.40 C ATOM 1428 CD ARG A 91 2.108 -18.288 3.810 1.00 1.93 C ATOM 1429 NE ARG A 91 2.589 -18.125 5.200 1.00 2.80 N ATOM 1430 CZ ARG A 91 3.347 -18.986 5.874 1.00 3.85 C ATOM 1431 NH1 ARG A 91 3.745 -20.132 5.360 1.00 4.45 N ATOM 1432 NH2 ARG A 91 3.722 -18.707 7.101 1.00 4.82 N ATOM 0 H ARG A 91 -0.663 -15.838 1.251 1.00 0.91 H new ATOM 0 HA ARG A 91 -0.698 -18.055 3.198 1.00 1.04 H new ATOM 0 HB2 ARG A 91 0.476 -15.254 3.183 1.00 1.30 H new ATOM 0 HB3 ARG A 91 0.417 -16.258 4.618 1.00 1.30 H new ATOM 0 HG2 ARG A 91 1.797 -17.105 2.043 1.00 1.40 H new ATOM 0 HG3 ARG A 91 2.617 -16.255 3.338 1.00 1.40 H new ATOM 0 HD2 ARG A 91 1.208 -18.902 3.812 1.00 1.93 H new ATOM 0 HD3 ARG A 91 2.859 -18.826 3.231 1.00 1.93 H new ATOM 0 HE ARG A 91 2.313 -17.272 5.687 1.00 2.80 H new ATOM 0 HH11 ARG A 91 3.472 -20.387 4.411 1.00 4.45 H new ATOM 0 HH12 ARG A 91 4.326 -20.764 5.911 1.00 4.45 H new ATOM 0 HH21 ARG A 91 3.432 -17.831 7.536 1.00 4.82 H new ATOM 0 HH22 ARG A 91 4.303 -19.366 7.619 1.00 4.82 H new ATOM 1446 N PRO A 92 -2.783 -17.147 4.482 1.00 0.87 N ATOM 1447 CA PRO A 92 -3.559 -16.557 5.561 1.00 0.96 C ATOM 1448 C PRO A 92 -2.530 -15.963 6.528 1.00 1.01 C ATOM 1449 O PRO A 92 -1.712 -16.700 7.090 1.00 1.32 O ATOM 1450 CB PRO A 92 -4.377 -17.703 6.162 1.00 1.17 C ATOM 1451 CG PRO A 92 -3.542 -18.949 5.871 1.00 1.22 C ATOM 1452 CD PRO A 92 -2.807 -18.606 4.574 1.00 1.03 C ATOM 0 HA PRO A 92 -4.251 -15.767 5.270 1.00 0.96 H new ATOM 0 HB2 PRO A 92 -4.529 -17.566 7.233 1.00 1.17 H new ATOM 0 HB3 PRO A 92 -5.365 -17.770 5.706 1.00 1.17 H new ATOM 0 HG2 PRO A 92 -2.844 -19.160 6.681 1.00 1.22 H new ATOM 0 HG3 PRO A 92 -4.170 -19.832 5.753 1.00 1.22 H new ATOM 0 HD2 PRO A 92 -1.795 -19.011 4.583 1.00 1.03 H new ATOM 0 HD3 PRO A 92 -3.316 -19.040 3.714 1.00 1.03 H new ATOM 1460 N LEU A 93 -2.500 -14.633 6.627 1.00 1.00 N ATOM 1461 CA LEU A 93 -1.354 -13.879 7.135 1.00 1.06 C ATOM 1462 C LEU A 93 -1.650 -13.156 8.458 1.00 1.26 C ATOM 1463 O LEU A 93 -2.741 -12.636 8.698 1.00 1.73 O ATOM 1464 CB LEU A 93 -0.719 -13.028 6.012 1.00 1.59 C ATOM 1465 CG LEU A 93 -1.648 -12.137 5.157 1.00 1.21 C ATOM 1466 CD1 LEU A 93 -2.031 -10.844 5.871 1.00 2.43 C ATOM 1467 CD2 LEU A 93 -0.955 -11.771 3.839 1.00 1.64 C ATOM 0 H LEU A 93 -3.284 -14.041 6.352 1.00 1.00 H new ATOM 0 HA LEU A 93 -0.572 -14.579 7.429 1.00 1.06 H new ATOM 0 HB2 LEU A 93 0.033 -12.384 6.467 1.00 1.59 H new ATOM 0 HB3 LEU A 93 -0.194 -13.705 5.338 1.00 1.59 H new ATOM 0 HG LEU A 93 -2.555 -12.713 4.974 1.00 1.21 H new ATOM 0 HD11 LEU A 93 -2.684 -10.253 5.229 1.00 2.43 H new ATOM 0 HD12 LEU A 93 -2.552 -11.081 6.799 1.00 2.43 H new ATOM 0 HD13 LEU A 93 -1.131 -10.273 6.097 1.00 2.43 H new ATOM 0 HD21 LEU A 93 -1.617 -11.143 3.242 1.00 1.64 H new ATOM 0 HD22 LEU A 93 -0.033 -11.229 4.051 1.00 1.64 H new ATOM 0 HD23 LEU A 93 -0.722 -12.681 3.286 1.00 1.64 H new ATOM 1479 N LYS A 94 -0.675 -13.221 9.366 1.00 1.21 N ATOM 1480 CA LYS A 94 -0.832 -13.057 10.812 1.00 1.24 C ATOM 1481 C LYS A 94 0.197 -12.117 11.438 1.00 1.15 C ATOM 1482 O LYS A 94 1.260 -11.844 10.888 1.00 1.72 O ATOM 1483 CB LYS A 94 -0.618 -14.420 11.458 1.00 1.49 C ATOM 1484 CG LYS A 94 -1.715 -15.430 11.117 1.00 1.96 C ATOM 1485 CD LYS A 94 -1.194 -16.809 11.523 1.00 1.97 C ATOM 1486 CE LYS A 94 -1.065 -17.743 10.309 1.00 2.82 C ATOM 1487 NZ LYS A 94 -0.069 -17.268 9.315 1.00 3.45 N ATOM 0 H LYS A 94 0.294 -13.398 9.100 1.00 1.21 H new ATOM 0 HA LYS A 94 -1.823 -12.636 10.978 1.00 1.24 H new ATOM 0 HB2 LYS A 94 0.345 -14.818 11.139 1.00 1.49 H new ATOM 0 HB3 LYS A 94 -0.570 -14.298 12.540 1.00 1.49 H new ATOM 0 HG2 LYS A 94 -2.636 -15.194 11.650 1.00 1.96 H new ATOM 0 HG3 LYS A 94 -1.947 -15.403 10.052 1.00 1.96 H new ATOM 0 HD2 LYS A 94 -0.223 -16.704 12.007 1.00 1.97 H new ATOM 0 HD3 LYS A 94 -1.869 -17.253 12.255 1.00 1.97 H new ATOM 0 HE2 LYS A 94 -0.782 -18.738 10.652 1.00 2.82 H new ATOM 0 HE3 LYS A 94 -2.037 -17.837 9.825 1.00 2.82 H new ATOM 0 HZ1 LYS A 94 -0.485 -17.304 8.362 1.00 3.45 H new ATOM 0 HZ2 LYS A 94 0.203 -16.289 9.537 1.00 3.45 H new ATOM 0 HZ3 LYS A 94 0.773 -17.878 9.349 1.00 3.45 H new ATOM 1501 N ALA A 95 -0.094 -11.696 12.663 1.00 0.98 N ATOM 1502 CA ALA A 95 0.723 -10.723 13.387 1.00 0.99 C ATOM 1503 C ALA A 95 2.013 -11.393 13.881 1.00 1.04 C ATOM 1504 O ALA A 95 1.951 -12.335 14.669 1.00 1.34 O ATOM 1505 CB ALA A 95 -0.105 -10.130 14.530 1.00 1.11 C ATOM 0 H ALA A 95 -0.907 -12.020 13.187 1.00 0.98 H new ATOM 0 HA ALA A 95 1.020 -9.905 12.731 1.00 0.99 H new ATOM 0 HB1 ALA A 95 0.496 -9.403 15.076 1.00 1.11 H new ATOM 0 HB2 ALA A 95 -0.988 -9.638 14.122 1.00 1.11 H new ATOM 0 HB3 ALA A 95 -0.414 -10.927 15.207 1.00 1.11 H new ATOM 1511 N GLY A 96 3.161 -10.923 13.390 1.00 0.93 N ATOM 1512 CA GLY A 96 4.466 -11.564 13.604 1.00 1.00 C ATOM 1513 C GLY A 96 4.937 -12.450 12.446 1.00 1.01 C ATOM 1514 O GLY A 96 5.870 -13.221 12.636 1.00 1.26 O ATOM 0 H GLY A 96 3.215 -10.076 12.825 1.00 0.93 H new ATOM 0 HA2 GLY A 96 5.213 -10.789 13.779 1.00 1.00 H new ATOM 0 HA3 GLY A 96 4.415 -12.168 14.510 1.00 1.00 H new ATOM 1518 N GLU A 97 4.329 -12.338 11.261 1.00 0.93 N ATOM 1519 CA GLU A 97 4.949 -12.778 10.000 1.00 0.95 C ATOM 1520 C GLU A 97 5.589 -11.588 9.275 1.00 0.86 C ATOM 1521 O GLU A 97 5.469 -10.438 9.703 1.00 0.80 O ATOM 1522 CB GLU A 97 3.917 -13.456 9.088 1.00 1.00 C ATOM 1523 CG GLU A 97 3.413 -14.755 9.739 1.00 1.29 C ATOM 1524 CD GLU A 97 2.404 -15.540 8.909 1.00 1.21 C ATOM 1525 OE1 GLU A 97 1.293 -15.040 8.671 1.00 2.21 O ATOM 1526 OE2 GLU A 97 2.627 -16.736 8.609 1.00 1.89 O ATOM 0 H GLU A 97 3.396 -11.942 11.145 1.00 0.93 H new ATOM 0 HA GLU A 97 5.725 -13.505 10.242 1.00 0.95 H new ATOM 0 HB2 GLU A 97 3.080 -12.781 8.908 1.00 1.00 H new ATOM 0 HB3 GLU A 97 4.364 -13.675 8.119 1.00 1.00 H new ATOM 0 HG2 GLU A 97 4.270 -15.397 9.945 1.00 1.29 H new ATOM 0 HG3 GLU A 97 2.959 -14.510 10.700 1.00 1.29 H new ATOM 1533 N GLU A 98 6.204 -11.866 8.131 1.00 0.91 N ATOM 1534 CA GLU A 98 6.780 -10.931 7.197 1.00 0.85 C ATOM 1535 C GLU A 98 6.376 -11.425 5.808 1.00 0.87 C ATOM 1536 O GLU A 98 6.141 -12.615 5.586 1.00 1.10 O ATOM 1537 CB GLU A 98 8.312 -10.841 7.301 1.00 0.99 C ATOM 1538 CG GLU A 98 8.841 -10.320 8.642 1.00 1.75 C ATOM 1539 CD GLU A 98 10.224 -9.699 8.461 1.00 2.16 C ATOM 1540 OE1 GLU A 98 10.266 -8.509 8.078 1.00 3.28 O ATOM 1541 OE2 GLU A 98 11.218 -10.428 8.671 1.00 2.54 O ATOM 0 H GLU A 98 6.317 -12.830 7.817 1.00 0.91 H new ATOM 0 HA GLU A 98 6.415 -9.926 7.410 1.00 0.85 H new ATOM 0 HB2 GLU A 98 8.732 -11.831 7.122 1.00 0.99 H new ATOM 0 HB3 GLU A 98 8.677 -10.191 6.506 1.00 0.99 H new ATOM 0 HG2 GLU A 98 8.153 -9.579 9.049 1.00 1.75 H new ATOM 0 HG3 GLU A 98 8.893 -11.137 9.362 1.00 1.75 H new ATOM 1548 N VAL A 99 6.258 -10.479 4.897 1.00 0.70 N ATOM 1549 CA VAL A 99 5.751 -10.625 3.527 1.00 0.71 C ATOM 1550 C VAL A 99 6.518 -9.683 2.601 1.00 0.58 C ATOM 1551 O VAL A 99 6.865 -8.566 2.975 1.00 0.60 O ATOM 1552 CB VAL A 99 4.245 -10.295 3.478 1.00 0.81 C ATOM 1553 CG1 VAL A 99 3.682 -10.153 2.053 1.00 1.14 C ATOM 1554 CG2 VAL A 99 3.406 -11.349 4.234 1.00 1.01 C ATOM 0 H VAL A 99 6.530 -9.517 5.099 1.00 0.70 H new ATOM 0 HA VAL A 99 5.894 -11.655 3.200 1.00 0.71 H new ATOM 0 HB VAL A 99 4.164 -9.324 3.967 1.00 0.81 H new ATOM 0 HG11 VAL A 99 2.618 -9.921 2.104 1.00 1.14 H new ATOM 0 HG12 VAL A 99 4.204 -9.349 1.534 1.00 1.14 H new ATOM 0 HG13 VAL A 99 3.824 -11.088 1.511 1.00 1.14 H new ATOM 0 HG21 VAL A 99 2.351 -11.083 4.177 1.00 1.01 H new ATOM 0 HG22 VAL A 99 3.558 -12.328 3.780 1.00 1.01 H new ATOM 0 HG23 VAL A 99 3.717 -11.381 5.278 1.00 1.01 H new ATOM 1564 N GLU A 100 6.744 -10.136 1.368 1.00 0.65 N ATOM 1565 CA GLU A 100 7.373 -9.322 0.329 1.00 0.63 C ATOM 1566 C GLU A 100 6.326 -8.594 -0.523 1.00 0.53 C ATOM 1567 O GLU A 100 5.351 -9.192 -0.990 1.00 0.56 O ATOM 1568 CB GLU A 100 8.353 -10.137 -0.535 1.00 0.88 C ATOM 1569 CG GLU A 100 8.949 -9.271 -1.657 1.00 2.12 C ATOM 1570 CD GLU A 100 10.334 -9.726 -2.089 1.00 2.22 C ATOM 1571 OE1 GLU A 100 10.461 -10.762 -2.783 1.00 2.34 O ATOM 1572 OE2 GLU A 100 11.317 -9.003 -1.797 1.00 3.49 O ATOM 0 H GLU A 100 6.496 -11.077 1.062 1.00 0.65 H new ATOM 0 HA GLU A 100 7.967 -8.560 0.835 1.00 0.63 H new ATOM 0 HB2 GLU A 100 9.154 -10.530 0.090 1.00 0.88 H new ATOM 0 HB3 GLU A 100 7.836 -10.994 -0.967 1.00 0.88 H new ATOM 0 HG2 GLU A 100 8.281 -9.292 -2.518 1.00 2.12 H new ATOM 0 HG3 GLU A 100 9.002 -8.236 -1.320 1.00 2.12 H new ATOM 1579 N LEU A 101 6.586 -7.304 -0.752 1.00 0.54 N ATOM 1580 CA LEU A 101 5.953 -6.462 -1.761 1.00 0.49 C ATOM 1581 C LEU A 101 6.988 -6.044 -2.811 1.00 0.45 C ATOM 1582 O LEU A 101 8.147 -5.769 -2.492 1.00 0.60 O ATOM 1583 CB LEU A 101 5.372 -5.204 -1.088 1.00 0.64 C ATOM 1584 CG LEU A 101 3.908 -5.299 -0.600 1.00 0.99 C ATOM 1585 CD1 LEU A 101 2.898 -5.101 -1.741 1.00 1.95 C ATOM 1586 CD2 LEU A 101 3.571 -6.563 0.197 1.00 2.72 C ATOM 0 H LEU A 101 7.282 -6.795 -0.207 1.00 0.54 H new ATOM 0 HA LEU A 101 5.153 -7.022 -2.246 1.00 0.49 H new ATOM 0 HB2 LEU A 101 6.001 -4.952 -0.234 1.00 0.64 H new ATOM 0 HB3 LEU A 101 5.444 -4.375 -1.793 1.00 0.64 H new ATOM 0 HG LEU A 101 3.817 -4.470 0.102 1.00 0.99 H new ATOM 0 HD11 LEU A 101 1.885 -5.177 -1.347 1.00 1.95 H new ATOM 0 HD12 LEU A 101 3.041 -4.117 -2.187 1.00 1.95 H new ATOM 0 HD13 LEU A 101 3.051 -5.869 -2.499 1.00 1.95 H new ATOM 0 HD21 LEU A 101 2.523 -6.537 0.495 1.00 2.72 H new ATOM 0 HD22 LEU A 101 3.751 -7.442 -0.422 1.00 2.72 H new ATOM 0 HD23 LEU A 101 4.199 -6.611 1.086 1.00 2.72 H new ATOM 1598 N ASP A 102 6.511 -5.924 -4.049 1.00 0.51 N ATOM 1599 CA ASP A 102 7.107 -5.115 -5.115 1.00 0.60 C ATOM 1600 C ASP A 102 6.317 -3.808 -5.242 1.00 0.70 C ATOM 1601 O ASP A 102 5.085 -3.834 -5.242 1.00 0.89 O ATOM 1602 CB ASP A 102 6.984 -5.817 -6.475 1.00 0.75 C ATOM 1603 CG ASP A 102 7.929 -6.993 -6.701 1.00 0.97 C ATOM 1604 OD1 ASP A 102 9.161 -6.803 -6.653 1.00 2.01 O ATOM 1605 OD2 ASP A 102 7.406 -8.082 -7.041 1.00 1.57 O ATOM 0 H ASP A 102 5.665 -6.407 -4.351 1.00 0.51 H new ATOM 0 HA ASP A 102 8.155 -4.951 -4.863 1.00 0.60 H new ATOM 0 HB2 ASP A 102 5.959 -6.171 -6.589 1.00 0.75 H new ATOM 0 HB3 ASP A 102 7.156 -5.081 -7.260 1.00 0.75 H new ATOM 1610 N LEU A 103 7.005 -2.685 -5.453 1.00 0.65 N ATOM 1611 CA LEU A 103 6.426 -1.403 -5.852 1.00 0.62 C ATOM 1612 C LEU A 103 6.724 -1.163 -7.340 1.00 0.58 C ATOM 1613 O LEU A 103 7.889 -1.132 -7.741 1.00 0.70 O ATOM 1614 CB LEU A 103 7.038 -0.272 -5.005 1.00 0.71 C ATOM 1615 CG LEU A 103 6.602 -0.222 -3.527 1.00 0.78 C ATOM 1616 CD1 LEU A 103 7.257 -1.291 -2.638 1.00 0.93 C ATOM 1617 CD2 LEU A 103 6.966 1.161 -2.967 1.00 1.09 C ATOM 0 H LEU A 103 8.019 -2.643 -5.347 1.00 0.65 H new ATOM 0 HA LEU A 103 5.348 -1.418 -5.693 1.00 0.62 H new ATOM 0 HB2 LEU A 103 8.123 -0.366 -5.040 1.00 0.71 H new ATOM 0 HB3 LEU A 103 6.785 0.681 -5.470 1.00 0.71 H new ATOM 0 HG LEU A 103 5.530 -0.418 -3.509 1.00 0.78 H new ATOM 0 HD11 LEU A 103 6.896 -1.185 -1.615 1.00 0.93 H new ATOM 0 HD12 LEU A 103 7.001 -2.282 -3.012 1.00 0.93 H new ATOM 0 HD13 LEU A 103 8.340 -1.165 -2.655 1.00 0.93 H new ATOM 0 HD21 LEU A 103 6.667 1.220 -1.921 1.00 1.09 H new ATOM 0 HD22 LEU A 103 8.042 1.314 -3.046 1.00 1.09 H new ATOM 0 HD23 LEU A 103 6.448 1.932 -3.537 1.00 1.09 H new ATOM 1629 N LEU A 104 5.683 -0.969 -8.158 1.00 0.47 N ATOM 1630 CA LEU A 104 5.799 -0.733 -9.601 1.00 0.48 C ATOM 1631 C LEU A 104 5.799 0.773 -9.894 1.00 0.51 C ATOM 1632 O LEU A 104 4.806 1.484 -9.675 1.00 0.50 O ATOM 1633 CB LEU A 104 4.667 -1.465 -10.352 1.00 0.46 C ATOM 1634 CG LEU A 104 4.568 -2.988 -10.097 1.00 0.47 C ATOM 1635 CD1 LEU A 104 3.384 -3.563 -10.885 1.00 0.63 C ATOM 1636 CD2 LEU A 104 5.851 -3.733 -10.487 1.00 0.54 C ATOM 0 H LEU A 104 4.718 -0.972 -7.829 1.00 0.47 H new ATOM 0 HA LEU A 104 6.746 -1.137 -9.958 1.00 0.48 H new ATOM 0 HB2 LEU A 104 3.717 -1.007 -10.076 1.00 0.46 H new ATOM 0 HB3 LEU A 104 4.801 -1.302 -11.421 1.00 0.46 H new ATOM 0 HG LEU A 104 4.420 -3.130 -9.026 1.00 0.47 H new ATOM 0 HD11 LEU A 104 3.314 -4.636 -10.706 1.00 0.63 H new ATOM 0 HD12 LEU A 104 2.462 -3.080 -10.561 1.00 0.63 H new ATOM 0 HD13 LEU A 104 3.533 -3.382 -11.949 1.00 0.63 H new ATOM 0 HD21 LEU A 104 5.728 -4.798 -10.288 1.00 0.54 H new ATOM 0 HD22 LEU A 104 6.051 -3.583 -11.548 1.00 0.54 H new ATOM 0 HD23 LEU A 104 6.687 -3.349 -9.902 1.00 0.54 H new ATOM 1648 N PHE A 105 6.927 1.267 -10.398 1.00 0.60 N ATOM 1649 CA PHE A 105 7.204 2.683 -10.598 1.00 0.71 C ATOM 1650 C PHE A 105 7.229 3.042 -12.092 1.00 0.79 C ATOM 1651 O PHE A 105 8.122 2.620 -12.827 1.00 1.17 O ATOM 1652 CB PHE A 105 8.537 3.012 -9.925 1.00 0.80 C ATOM 1653 CG PHE A 105 8.466 3.043 -8.410 1.00 0.78 C ATOM 1654 CD1 PHE A 105 7.705 4.037 -7.762 1.00 2.00 C ATOM 1655 CD2 PHE A 105 9.179 2.104 -7.647 1.00 1.81 C ATOM 1656 CE1 PHE A 105 7.685 4.113 -6.358 1.00 2.11 C ATOM 1657 CE2 PHE A 105 9.160 2.184 -6.242 1.00 1.75 C ATOM 1658 CZ PHE A 105 8.424 3.190 -5.599 1.00 0.93 C ATOM 0 H PHE A 105 7.700 0.668 -10.688 1.00 0.60 H new ATOM 0 HA PHE A 105 6.410 3.279 -10.149 1.00 0.71 H new ATOM 0 HB2 PHE A 105 9.279 2.274 -10.230 1.00 0.80 H new ATOM 0 HB3 PHE A 105 8.885 3.981 -10.283 1.00 0.80 H new ATOM 0 HD1 PHE A 105 7.135 4.744 -8.347 1.00 2.00 H new ATOM 0 HD2 PHE A 105 9.741 1.322 -8.137 1.00 1.81 H new ATOM 0 HE1 PHE A 105 7.104 4.878 -5.865 1.00 2.11 H new ATOM 0 HE2 PHE A 105 9.715 1.467 -5.656 1.00 1.75 H new ATOM 0 HZ PHE A 105 8.425 3.255 -4.521 1.00 0.93 H new ATOM 1668 N ALA A 106 6.252 3.842 -12.537 1.00 0.63 N ATOM 1669 CA ALA A 106 6.071 4.288 -13.924 1.00 0.66 C ATOM 1670 C ALA A 106 6.078 3.121 -14.941 1.00 1.62 C ATOM 1671 O ALA A 106 6.554 3.271 -16.067 1.00 2.35 O ATOM 1672 CB ALA A 106 7.111 5.382 -14.229 1.00 1.47 C ATOM 0 H ALA A 106 5.535 4.212 -11.913 1.00 0.63 H new ATOM 0 HA ALA A 106 5.076 4.718 -14.035 1.00 0.66 H new ATOM 0 HB1 ALA A 106 6.989 5.724 -15.257 1.00 1.47 H new ATOM 0 HB2 ALA A 106 6.967 6.221 -13.548 1.00 1.47 H new ATOM 0 HB3 ALA A 106 8.114 4.977 -14.098 1.00 1.47 H new ATOM 1678 N GLY A 107 5.635 1.932 -14.511 1.00 2.74 N ATOM 1679 CA GLY A 107 5.768 0.667 -15.240 1.00 3.98 C ATOM 1680 C GLY A 107 7.196 0.122 -15.185 1.00 3.38 C ATOM 1681 O GLY A 107 7.454 -0.879 -14.523 1.00 4.66 O ATOM 0 H GLY A 107 5.158 1.822 -13.616 1.00 2.74 H new ATOM 0 HA2 GLY A 107 5.083 -0.068 -14.818 1.00 3.98 H new ATOM 0 HA3 GLY A 107 5.476 0.815 -16.280 1.00 3.98 H new ATOM 1685 N GLY A 108 8.117 0.783 -15.896 1.00 1.65 N ATOM 1686 CA GLY A 108 9.447 0.261 -16.258 1.00 1.41 C ATOM 1687 C GLY A 108 10.529 0.299 -15.172 1.00 1.20 C ATOM 1688 O GLY A 108 11.705 0.148 -15.496 1.00 1.68 O ATOM 0 H GLY A 108 7.955 1.727 -16.248 1.00 1.65 H new ATOM 0 HA2 GLY A 108 9.328 -0.773 -16.582 1.00 1.41 H new ATOM 0 HA3 GLY A 108 9.810 0.825 -17.117 1.00 1.41 H new ATOM 1692 N LYS A 109 10.176 0.533 -13.904 1.00 0.82 N ATOM 1693 CA LYS A 109 11.045 0.371 -12.729 1.00 0.72 C ATOM 1694 C LYS A 109 10.314 -0.416 -11.641 1.00 0.66 C ATOM 1695 O LYS A 109 9.121 -0.204 -11.438 1.00 0.71 O ATOM 1696 CB LYS A 109 11.454 1.752 -12.183 1.00 0.75 C ATOM 1697 CG LYS A 109 12.512 2.394 -13.079 1.00 1.01 C ATOM 1698 CD LYS A 109 12.578 3.916 -12.921 1.00 1.23 C ATOM 1699 CE LYS A 109 13.382 4.518 -14.082 1.00 2.03 C ATOM 1700 NZ LYS A 109 12.658 4.400 -15.375 1.00 3.29 N ATOM 0 H LYS A 109 9.240 0.853 -13.656 1.00 0.82 H new ATOM 0 HA LYS A 109 11.939 -0.177 -13.026 1.00 0.72 H new ATOM 0 HB2 LYS A 109 10.579 2.399 -12.124 1.00 0.75 H new ATOM 0 HB3 LYS A 109 11.843 1.648 -11.170 1.00 0.75 H new ATOM 0 HG2 LYS A 109 13.487 1.966 -12.846 1.00 1.01 H new ATOM 0 HG3 LYS A 109 12.297 2.150 -14.119 1.00 1.01 H new ATOM 0 HD2 LYS A 109 11.572 4.335 -12.906 1.00 1.23 H new ATOM 0 HD3 LYS A 109 13.044 4.173 -11.970 1.00 1.23 H new ATOM 0 HE2 LYS A 109 13.588 5.568 -13.875 1.00 2.03 H new ATOM 0 HE3 LYS A 109 14.345 4.013 -14.157 1.00 2.03 H new ATOM 0 HZ1 LYS A 109 13.020 5.111 -16.042 1.00 3.29 H new ATOM 0 HZ2 LYS A 109 12.805 3.449 -15.770 1.00 3.29 H new ATOM 0 HZ3 LYS A 109 11.642 4.557 -15.219 1.00 3.29 H new ATOM 1714 N VAL A 110 11.033 -1.262 -10.906 1.00 0.81 N ATOM 1715 CA VAL A 110 10.491 -2.076 -9.809 1.00 0.80 C ATOM 1716 C VAL A 110 11.438 -1.994 -8.609 1.00 0.86 C ATOM 1717 O VAL A 110 12.653 -1.923 -8.803 1.00 0.97 O ATOM 1718 CB VAL A 110 10.285 -3.554 -10.235 1.00 0.86 C ATOM 1719 CG1 VAL A 110 9.616 -4.390 -9.130 1.00 2.06 C ATOM 1720 CG2 VAL A 110 9.440 -3.657 -11.519 1.00 1.64 C ATOM 0 H VAL A 110 12.031 -1.407 -11.056 1.00 0.81 H new ATOM 0 HA VAL A 110 9.512 -1.681 -9.537 1.00 0.80 H new ATOM 0 HB VAL A 110 11.281 -3.955 -10.421 1.00 0.86 H new ATOM 0 HG11 VAL A 110 9.493 -5.417 -9.475 1.00 2.06 H new ATOM 0 HG12 VAL A 110 10.241 -4.379 -8.237 1.00 2.06 H new ATOM 0 HG13 VAL A 110 8.640 -3.967 -8.894 1.00 2.06 H new ATOM 0 HG21 VAL A 110 9.315 -4.706 -11.789 1.00 1.64 H new ATOM 0 HG22 VAL A 110 8.462 -3.207 -11.348 1.00 1.64 H new ATOM 0 HG23 VAL A 110 9.944 -3.131 -12.330 1.00 1.64 H new ATOM 1730 N LEU A 111 10.886 -2.004 -7.392 1.00 0.83 N ATOM 1731 CA LEU A 111 11.642 -2.137 -6.145 1.00 0.83 C ATOM 1732 C LEU A 111 10.939 -3.118 -5.203 1.00 0.71 C ATOM 1733 O LEU A 111 9.777 -2.929 -4.857 1.00 0.93 O ATOM 1734 CB LEU A 111 11.795 -0.748 -5.501 1.00 1.02 C ATOM 1735 CG LEU A 111 12.609 -0.721 -4.191 1.00 1.48 C ATOM 1736 CD1 LEU A 111 14.028 -1.289 -4.361 1.00 2.26 C ATOM 1737 CD2 LEU A 111 12.696 0.730 -3.700 1.00 1.90 C ATOM 0 H LEU A 111 9.880 -1.918 -7.244 1.00 0.83 H new ATOM 0 HA LEU A 111 12.635 -2.537 -6.352 1.00 0.83 H new ATOM 0 HB2 LEU A 111 12.271 -0.081 -6.220 1.00 1.02 H new ATOM 0 HB3 LEU A 111 10.802 -0.345 -5.302 1.00 1.02 H new ATOM 0 HG LEU A 111 12.097 -1.354 -3.466 1.00 1.48 H new ATOM 0 HD11 LEU A 111 14.554 -1.245 -3.407 1.00 2.26 H new ATOM 0 HD12 LEU A 111 13.968 -2.325 -4.695 1.00 2.26 H new ATOM 0 HD13 LEU A 111 14.569 -0.700 -5.102 1.00 2.26 H new ATOM 0 HD21 LEU A 111 13.269 0.767 -2.773 1.00 1.90 H new ATOM 0 HD22 LEU A 111 13.189 1.341 -4.456 1.00 1.90 H new ATOM 0 HD23 LEU A 111 11.692 1.114 -3.521 1.00 1.90 H new ATOM 1749 N LYS A 112 11.666 -4.158 -4.790 1.00 0.67 N ATOM 1750 CA LYS A 112 11.174 -5.228 -3.912 1.00 0.76 C ATOM 1751 C LYS A 112 11.614 -5.023 -2.451 1.00 0.92 C ATOM 1752 O LYS A 112 12.745 -4.604 -2.202 1.00 1.07 O ATOM 1753 CB LYS A 112 11.605 -6.586 -4.493 1.00 1.02 C ATOM 1754 CG LYS A 112 13.096 -6.934 -4.329 1.00 2.39 C ATOM 1755 CD LYS A 112 13.529 -8.075 -5.267 1.00 3.01 C ATOM 1756 CE LYS A 112 12.669 -9.342 -5.150 1.00 2.11 C ATOM 1757 NZ LYS A 112 12.791 -9.980 -3.819 1.00 2.32 N ATOM 0 H LYS A 112 12.640 -4.285 -5.063 1.00 0.67 H new ATOM 0 HA LYS A 112 10.085 -5.203 -3.880 1.00 0.76 H new ATOM 0 HB2 LYS A 112 11.013 -7.369 -4.019 1.00 1.02 H new ATOM 0 HB3 LYS A 112 11.361 -6.601 -5.555 1.00 1.02 H new ATOM 0 HG2 LYS A 112 13.699 -6.049 -4.532 1.00 2.39 H new ATOM 0 HG3 LYS A 112 13.290 -7.221 -3.296 1.00 2.39 H new ATOM 0 HD2 LYS A 112 13.493 -7.718 -6.296 1.00 3.01 H new ATOM 0 HD3 LYS A 112 14.567 -8.332 -5.054 1.00 3.01 H new ATOM 0 HE2 LYS A 112 11.625 -9.089 -5.335 1.00 2.11 H new ATOM 0 HE3 LYS A 112 12.966 -10.053 -5.921 1.00 2.11 H new ATOM 0 HZ1 LYS A 112 12.084 -10.738 -3.731 1.00 2.32 H new ATOM 0 HZ2 LYS A 112 13.744 -10.382 -3.713 1.00 2.32 H new ATOM 0 HZ3 LYS A 112 12.630 -9.269 -3.077 1.00 2.32 H new ATOM 1771 N VAL A 113 10.734 -5.315 -1.493 1.00 1.05 N ATOM 1772 CA VAL A 113 10.934 -5.062 -0.055 1.00 1.16 C ATOM 1773 C VAL A 113 10.216 -6.090 0.814 1.00 1.01 C ATOM 1774 O VAL A 113 9.057 -6.404 0.563 1.00 0.85 O ATOM 1775 CB VAL A 113 10.433 -3.662 0.379 1.00 1.28 C ATOM 1776 CG1 VAL A 113 11.515 -2.602 0.118 1.00 2.01 C ATOM 1777 CG2 VAL A 113 9.093 -3.248 -0.258 1.00 2.07 C ATOM 0 H VAL A 113 9.833 -5.748 -1.696 1.00 1.05 H new ATOM 0 HA VAL A 113 12.012 -5.130 0.091 1.00 1.16 H new ATOM 0 HB VAL A 113 10.238 -3.730 1.449 1.00 1.28 H new ATOM 0 HG11 VAL A 113 11.148 -1.624 0.428 1.00 2.01 H new ATOM 0 HG12 VAL A 113 12.412 -2.850 0.686 1.00 2.01 H new ATOM 0 HG13 VAL A 113 11.754 -2.580 -0.945 1.00 2.01 H new ATOM 0 HG21 VAL A 113 8.812 -2.256 0.097 1.00 2.07 H new ATOM 0 HG22 VAL A 113 9.196 -3.229 -1.343 1.00 2.07 H new ATOM 0 HG23 VAL A 113 8.321 -3.965 0.021 1.00 2.07 H new ATOM 1787 N VAL A 114 10.891 -6.533 1.878 1.00 1.41 N ATOM 1788 CA VAL A 114 10.276 -7.268 2.985 1.00 1.14 C ATOM 1789 C VAL A 114 9.645 -6.283 3.978 1.00 0.95 C ATOM 1790 O VAL A 114 10.219 -5.240 4.286 1.00 1.11 O ATOM 1791 CB VAL A 114 11.284 -8.229 3.662 1.00 1.33 C ATOM 1792 CG1 VAL A 114 12.441 -7.510 4.376 1.00 1.84 C ATOM 1793 CG2 VAL A 114 10.559 -9.197 4.607 1.00 2.71 C ATOM 0 H VAL A 114 11.894 -6.389 1.996 1.00 1.41 H new ATOM 0 HA VAL A 114 9.480 -7.899 2.589 1.00 1.14 H new ATOM 0 HB VAL A 114 11.748 -8.801 2.858 1.00 1.33 H new ATOM 0 HG11 VAL A 114 13.105 -8.248 4.826 1.00 1.84 H new ATOM 0 HG12 VAL A 114 12.998 -6.912 3.655 1.00 1.84 H new ATOM 0 HG13 VAL A 114 12.041 -6.860 5.154 1.00 1.84 H new ATOM 0 HG21 VAL A 114 11.285 -9.863 5.072 1.00 2.71 H new ATOM 0 HG22 VAL A 114 10.039 -8.630 5.380 1.00 2.71 H new ATOM 0 HG23 VAL A 114 9.837 -9.786 4.041 1.00 2.71 H new ATOM 1803 N LEU A 115 8.437 -6.606 4.435 1.00 0.77 N ATOM 1804 CA LEU A 115 7.607 -5.842 5.371 1.00 0.79 C ATOM 1805 C LEU A 115 7.043 -6.838 6.411 1.00 0.71 C ATOM 1806 O LEU A 115 6.630 -7.936 6.009 1.00 0.71 O ATOM 1807 CB LEU A 115 6.424 -5.244 4.588 1.00 0.98 C ATOM 1808 CG LEU A 115 6.788 -4.310 3.420 1.00 1.33 C ATOM 1809 CD1 LEU A 115 5.519 -4.019 2.617 1.00 1.87 C ATOM 1810 CD2 LEU A 115 7.390 -2.984 3.892 1.00 2.50 C ATOM 0 H LEU A 115 7.978 -7.468 4.142 1.00 0.77 H new ATOM 0 HA LEU A 115 8.183 -5.052 5.853 1.00 0.79 H new ATOM 0 HB2 LEU A 115 5.822 -6.064 4.197 1.00 0.98 H new ATOM 0 HB3 LEU A 115 5.795 -4.691 5.286 1.00 0.98 H new ATOM 0 HG LEU A 115 7.541 -4.813 2.813 1.00 1.33 H new ATOM 0 HD11 LEU A 115 5.759 -3.358 1.784 1.00 1.87 H new ATOM 0 HD12 LEU A 115 5.110 -4.953 2.232 1.00 1.87 H new ATOM 0 HD13 LEU A 115 4.783 -3.539 3.261 1.00 1.87 H new ATOM 0 HD21 LEU A 115 7.628 -2.364 3.027 1.00 2.50 H new ATOM 0 HD22 LEU A 115 6.672 -2.463 4.525 1.00 2.50 H new ATOM 0 HD23 LEU A 115 8.300 -3.179 4.460 1.00 2.50 H new ATOM 1822 N PRO A 116 6.924 -6.470 7.699 1.00 0.70 N ATOM 1823 CA PRO A 116 6.186 -7.259 8.679 1.00 0.69 C ATOM 1824 C PRO A 116 4.678 -7.216 8.416 1.00 0.69 C ATOM 1825 O PRO A 116 4.161 -6.246 7.851 1.00 0.74 O ATOM 1826 CB PRO A 116 6.543 -6.653 10.039 1.00 0.79 C ATOM 1827 CG PRO A 116 6.816 -5.187 9.699 1.00 0.79 C ATOM 1828 CD PRO A 116 7.473 -5.278 8.323 1.00 0.76 C ATOM 0 HA PRO A 116 6.455 -8.314 8.630 1.00 0.69 H new ATOM 0 HB2 PRO A 116 5.727 -6.757 10.754 1.00 0.79 H new ATOM 0 HB3 PRO A 116 7.416 -7.135 10.479 1.00 0.79 H new ATOM 0 HG2 PRO A 116 5.898 -4.600 9.671 1.00 0.79 H new ATOM 0 HG3 PRO A 116 7.473 -4.717 10.431 1.00 0.79 H new ATOM 0 HD2 PRO A 116 7.258 -4.391 7.728 1.00 0.76 H new ATOM 0 HD3 PRO A 116 8.557 -5.347 8.411 1.00 0.76 H new ATOM 1836 N VAL A 117 3.963 -8.250 8.872 1.00 0.74 N ATOM 1837 CA VAL A 117 2.498 -8.224 8.976 1.00 0.79 C ATOM 1838 C VAL A 117 2.075 -7.721 10.365 1.00 0.94 C ATOM 1839 O VAL A 117 2.479 -8.280 11.387 1.00 0.94 O ATOM 1840 CB VAL A 117 1.887 -9.608 8.695 1.00 0.75 C ATOM 1841 CG1 VAL A 117 0.348 -9.588 8.808 1.00 0.79 C ATOM 1842 CG2 VAL A 117 2.265 -10.128 7.300 1.00 0.79 C ATOM 0 H VAL A 117 4.382 -9.128 9.179 1.00 0.74 H new ATOM 0 HA VAL A 117 2.120 -7.537 8.219 1.00 0.79 H new ATOM 0 HB VAL A 117 2.298 -10.275 9.453 1.00 0.75 H new ATOM 0 HG11 VAL A 117 -0.045 -10.584 8.603 1.00 0.79 H new ATOM 0 HG12 VAL A 117 0.061 -9.285 9.815 1.00 0.79 H new ATOM 0 HG13 VAL A 117 -0.061 -8.881 8.086 1.00 0.79 H new ATOM 0 HG21 VAL A 117 1.813 -11.107 7.142 1.00 0.79 H new ATOM 0 HG22 VAL A 117 1.901 -9.434 6.542 1.00 0.79 H new ATOM 0 HG23 VAL A 117 3.349 -10.212 7.224 1.00 0.79 H new ATOM 1852 N GLU A 118 1.220 -6.692 10.397 1.00 1.21 N ATOM 1853 CA GLU A 118 0.617 -6.125 11.611 1.00 1.38 C ATOM 1854 C GLU A 118 -0.916 -6.253 11.626 1.00 1.44 C ATOM 1855 O GLU A 118 -1.592 -6.104 10.606 1.00 1.93 O ATOM 1856 CB GLU A 118 0.941 -4.631 11.756 1.00 1.82 C ATOM 1857 CG GLU A 118 2.415 -4.290 12.020 1.00 2.23 C ATOM 1858 CD GLU A 118 2.555 -2.808 12.371 1.00 3.41 C ATOM 1859 OE1 GLU A 118 1.839 -2.336 13.278 1.00 3.69 O ATOM 1860 OE2 GLU A 118 3.349 -2.077 11.750 1.00 4.66 O ATOM 0 H GLU A 118 0.918 -6.214 9.548 1.00 1.21 H new ATOM 0 HA GLU A 118 1.044 -6.699 12.433 1.00 1.38 H new ATOM 0 HB2 GLU A 118 0.627 -4.120 10.846 1.00 1.82 H new ATOM 0 HB3 GLU A 118 0.342 -4.226 12.572 1.00 1.82 H new ATOM 0 HG2 GLU A 118 2.798 -4.903 12.836 1.00 2.23 H new ATOM 0 HG3 GLU A 118 3.014 -4.522 11.139 1.00 2.23 H new