USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 623 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 75 LYS NZ :NH3+ -121:sc= 1.11 (180deg=0) USER MOD Set 1.2: A 79 GLN : amide:sc= 0.917 K(o=2,f=-1.7) USER MOD Set 2.1: A 44 HIS : no HD1:sc= 0.982 K(o=0.1,f=-7.4!) USER MOD Set 2.2: A 54 GLN : amide:sc= -0.878! K(o=0.1!,f=-3.3) USER MOD Single : A 7 GLN : amide:sc= -0.119 K(o=-0.12,f=-1.7!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 13 ASN : amide:sc= -0.384 K(o=-0.38,f=-6.6!) USER MOD Single : A 17 SER OG : rot -147:sc= 0.689 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 58:sc= 0.747 USER MOD Single : A 37 ASN : amide:sc= 0.221 X(o=0.22,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.213 K(o=0.21,f=-7.5!) USER MOD Single : A 45 SER OG : rot 171:sc= 0.121 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 165:sc= 0 (180deg=-0.143) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.16! C(o=-1.2!,f=-12!) USER MOD Single : A 66 LYS NZ :NH3+ -167:sc= -0.011 (180deg=-0.166) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0463 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 57 N GLU A 5 -7.204 -4.078 -4.540 1.00 2.01 N ATOM 58 CA GLU A 5 -8.472 -3.358 -4.638 1.00 1.95 C ATOM 59 C GLU A 5 -8.363 -2.193 -5.620 1.00 2.02 C ATOM 60 O GLU A 5 -7.734 -1.176 -5.324 1.00 2.45 O ATOM 61 CB GLU A 5 -8.914 -2.832 -3.269 1.00 2.25 C ATOM 62 CG GLU A 5 -8.255 -3.529 -2.090 1.00 2.50 C ATOM 63 CD GLU A 5 -7.304 -2.623 -1.333 1.00 3.01 C ATOM 64 OE1 GLU A 5 -7.433 -1.385 -1.455 1.00 3.44 O ATOM 65 OE2 GLU A 5 -6.426 -3.140 -0.608 1.00 3.47 O ATOM 0 HA GLU A 5 -9.219 -4.063 -5.003 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -8.695 -1.766 -3.214 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -9.995 -2.941 -3.183 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -9.026 -3.890 -1.409 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -7.711 -4.403 -2.448 1.00 2.50 H new ATOM 72 N ALA A 6 -8.974 -2.352 -6.785 1.00 1.93 N ATOM 73 CA ALA A 6 -8.964 -1.317 -7.809 1.00 2.21 C ATOM 74 C ALA A 6 -10.208 -0.440 -7.695 1.00 1.87 C ATOM 75 O ALA A 6 -11.056 -0.662 -6.825 1.00 2.34 O ATOM 76 CB ALA A 6 -8.879 -1.947 -9.191 1.00 3.01 C ATOM 0 H ALA A 6 -9.487 -3.194 -7.046 1.00 1.93 H new ATOM 0 HA ALA A 6 -8.087 -0.687 -7.660 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -8.872 -1.163 -9.948 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -7.964 -2.534 -9.268 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -9.740 -2.596 -9.348 1.00 3.01 H new ATOM 82 N GLN A 7 -10.322 0.548 -8.573 1.00 1.57 N ATOM 83 CA GLN A 7 -11.451 1.470 -8.539 1.00 1.65 C ATOM 84 C GLN A 7 -12.335 1.277 -9.764 1.00 1.53 C ATOM 85 O GLN A 7 -12.064 1.827 -10.833 1.00 1.80 O ATOM 86 CB GLN A 7 -10.954 2.916 -8.466 1.00 2.14 C ATOM 87 CG GLN A 7 -10.719 3.411 -7.047 1.00 2.64 C ATOM 88 CD GLN A 7 -9.337 3.065 -6.525 1.00 3.04 C ATOM 89 OE1 GLN A 7 -8.408 2.811 -7.296 1.00 3.51 O ATOM 90 NE2 GLN A 7 -9.188 3.063 -5.213 1.00 3.49 N ATOM 0 H GLN A 7 -9.648 0.732 -9.316 1.00 1.57 H new ATOM 0 HA GLN A 7 -12.043 1.258 -7.649 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -10.025 3.000 -9.029 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -11.682 3.566 -8.952 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -10.853 4.492 -7.017 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -11.471 2.978 -6.387 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -9.981 3.278 -4.609 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -8.279 2.846 -4.803 1.00 3.49 H new ATOM 99 N TYR A 8 -13.389 0.486 -9.607 1.00 1.48 N ATOM 100 CA TYR A 8 -14.286 0.179 -10.710 1.00 1.47 C ATOM 101 C TYR A 8 -15.670 -0.199 -10.186 1.00 1.56 C ATOM 102 O TYR A 8 -16.451 0.668 -9.797 1.00 2.27 O ATOM 103 CB TYR A 8 -13.709 -0.966 -11.544 1.00 1.61 C ATOM 104 CG TYR A 8 -14.133 -0.951 -12.995 1.00 1.62 C ATOM 105 CD1 TYR A 8 -13.984 0.190 -13.771 1.00 1.71 C ATOM 106 CD2 TYR A 8 -14.673 -2.083 -13.591 1.00 1.79 C ATOM 107 CE1 TYR A 8 -14.361 0.202 -15.098 1.00 1.89 C ATOM 108 CE2 TYR A 8 -15.054 -2.079 -14.920 1.00 2.00 C ATOM 109 CZ TYR A 8 -14.895 -0.933 -15.669 1.00 2.01 C ATOM 110 OH TYR A 8 -15.270 -0.922 -16.994 1.00 2.32 O ATOM 0 H TYR A 8 -13.643 0.045 -8.723 1.00 1.48 H new ATOM 0 HA TYR A 8 -14.385 1.065 -11.338 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -12.621 -0.924 -11.495 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -14.012 -1.914 -11.098 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -13.566 1.083 -13.329 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -14.798 -2.982 -13.006 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -14.238 1.098 -15.688 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -15.473 -2.968 -15.368 1.00 2.00 H new ATOM 0 HH TYR A 8 -15.626 -1.801 -17.240 1.00 2.32 H new ATOM 120 N VAL A 9 -15.961 -1.503 -10.193 1.00 1.35 N ATOM 121 CA VAL A 9 -17.236 -2.054 -9.714 1.00 1.47 C ATOM 122 C VAL A 9 -18.405 -1.726 -10.662 1.00 1.51 C ATOM 123 O VAL A 9 -19.509 -2.247 -10.498 1.00 2.13 O ATOM 124 CB VAL A 9 -17.547 -1.612 -8.251 1.00 1.74 C ATOM 125 CG1 VAL A 9 -18.736 -0.658 -8.160 1.00 2.00 C ATOM 126 CG2 VAL A 9 -17.789 -2.836 -7.381 1.00 2.05 C ATOM 0 H VAL A 9 -15.314 -2.214 -10.534 1.00 1.35 H new ATOM 0 HA VAL A 9 -17.123 -3.138 -9.710 1.00 1.47 H new ATOM 0 HB VAL A 9 -16.676 -1.065 -7.889 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -18.905 -0.385 -7.118 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -18.527 0.240 -8.741 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -19.626 -1.147 -8.556 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -18.006 -2.520 -6.361 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -18.635 -3.400 -7.774 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -16.900 -3.466 -7.385 1.00 2.05 H new ATOM 136 N ALA A 10 -18.149 -0.896 -11.666 1.00 1.41 N ATOM 137 CA ALA A 10 -19.174 -0.520 -12.631 1.00 1.50 C ATOM 138 C ALA A 10 -19.387 -1.633 -13.655 1.00 1.34 C ATOM 139 O ALA A 10 -18.495 -1.939 -14.448 1.00 1.73 O ATOM 140 CB ALA A 10 -18.791 0.778 -13.322 1.00 2.09 C ATOM 0 H ALA A 10 -17.238 -0.470 -11.833 1.00 1.41 H new ATOM 0 HA ALA A 10 -20.113 -0.368 -12.098 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -19.564 1.049 -14.041 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -18.692 1.570 -12.580 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -17.842 0.647 -13.842 1.00 2.09 H new ATOM 146 N PRO A 11 -20.569 -2.266 -13.637 1.00 1.24 N ATOM 147 CA PRO A 11 -20.897 -3.372 -14.526 1.00 1.52 C ATOM 148 C PRO A 11 -21.642 -2.931 -15.784 1.00 1.50 C ATOM 149 O PRO A 11 -22.036 -1.767 -15.916 1.00 1.83 O ATOM 150 CB PRO A 11 -21.816 -4.210 -13.647 1.00 1.87 C ATOM 151 CG PRO A 11 -22.564 -3.207 -12.827 1.00 1.88 C ATOM 152 CD PRO A 11 -21.690 -1.973 -12.729 1.00 1.45 C ATOM 0 HA PRO A 11 -20.009 -3.883 -14.899 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -22.494 -4.818 -14.247 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -21.248 -4.894 -13.017 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -23.520 -2.966 -13.291 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -22.782 -3.605 -11.836 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -22.228 -1.076 -13.034 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -21.346 -1.806 -11.708 1.00 1.45 H new ATOM 160 N THR A 12 -21.824 -3.866 -16.704 1.00 1.33 N ATOM 161 CA THR A 12 -22.655 -3.640 -17.873 1.00 1.44 C ATOM 162 C THR A 12 -24.041 -4.221 -17.619 1.00 1.40 C ATOM 163 O THR A 12 -25.060 -3.629 -17.977 1.00 1.90 O ATOM 164 CB THR A 12 -22.044 -4.279 -19.136 1.00 1.69 C ATOM 165 OG1 THR A 12 -20.923 -5.105 -18.776 1.00 1.79 O ATOM 166 CG2 THR A 12 -21.595 -3.207 -20.116 1.00 2.04 C ATOM 0 H THR A 12 -21.403 -4.794 -16.661 1.00 1.33 H new ATOM 0 HA THR A 12 -22.722 -2.566 -18.045 1.00 1.44 H new ATOM 0 HB THR A 12 -22.807 -4.893 -19.614 1.00 1.69 H new ATOM 0 HG1 THR A 12 -21.244 -5.984 -18.485 1.00 1.79 H new ATOM 0 HG21 THR A 12 -21.167 -3.679 -21.000 1.00 2.04 H new ATOM 0 HG22 THR A 12 -22.451 -2.599 -20.408 1.00 2.04 H new ATOM 0 HG23 THR A 12 -20.844 -2.573 -19.643 1.00 2.04 H new ATOM 174 N ASN A 13 -24.058 -5.385 -16.987 1.00 1.11 N ATOM 175 CA ASN A 13 -25.294 -6.018 -16.552 1.00 1.23 C ATOM 176 C ASN A 13 -25.268 -6.186 -15.036 1.00 1.03 C ATOM 177 O ASN A 13 -24.195 -6.313 -14.445 1.00 1.32 O ATOM 178 CB ASN A 13 -25.458 -7.378 -17.234 1.00 1.71 C ATOM 179 CG ASN A 13 -26.831 -7.982 -17.011 1.00 1.80 C ATOM 180 OD1 ASN A 13 -27.063 -8.681 -16.025 1.00 2.19 O ATOM 181 ND2 ASN A 13 -27.753 -7.718 -17.924 1.00 2.24 N ATOM 0 H ASN A 13 -23.217 -5.916 -16.762 1.00 1.11 H new ATOM 0 HA ASN A 13 -26.140 -5.390 -16.830 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -25.284 -7.267 -18.304 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -24.699 -8.063 -16.857 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -28.694 -8.099 -17.823 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -27.522 -7.134 -18.728 1.00 2.24 H new ATOM 188 N ALA A 14 -26.441 -6.184 -14.414 1.00 1.04 N ATOM 189 CA ALA A 14 -26.543 -6.275 -12.962 1.00 1.05 C ATOM 190 C ALA A 14 -25.888 -7.546 -12.423 1.00 0.96 C ATOM 191 O ALA A 14 -25.308 -7.538 -11.335 1.00 0.91 O ATOM 192 CB ALA A 14 -28.000 -6.209 -12.529 1.00 1.42 C ATOM 0 H ALA A 14 -27.338 -6.120 -14.895 1.00 1.04 H new ATOM 0 HA ALA A 14 -26.005 -5.425 -12.542 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -28.060 -6.278 -11.443 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -28.435 -5.265 -12.857 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -28.550 -7.037 -12.976 1.00 1.42 H new ATOM 198 N VAL A 15 -25.962 -8.627 -13.197 1.00 1.05 N ATOM 199 CA VAL A 15 -25.417 -9.912 -12.772 1.00 1.12 C ATOM 200 C VAL A 15 -23.894 -9.856 -12.624 1.00 0.97 C ATOM 201 O VAL A 15 -23.314 -10.583 -11.813 1.00 0.96 O ATOM 202 CB VAL A 15 -25.806 -11.048 -13.751 1.00 1.38 C ATOM 203 CG1 VAL A 15 -25.044 -10.939 -15.066 1.00 1.45 C ATOM 204 CG2 VAL A 15 -25.575 -12.407 -13.108 1.00 1.99 C ATOM 0 H VAL A 15 -26.394 -8.637 -14.121 1.00 1.05 H new ATOM 0 HA VAL A 15 -25.853 -10.129 -11.797 1.00 1.12 H new ATOM 0 HB VAL A 15 -26.867 -10.944 -13.976 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -25.342 -11.752 -15.728 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -25.271 -9.984 -15.540 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -23.973 -11.003 -14.872 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -25.853 -13.193 -13.809 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -24.522 -12.511 -12.845 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -26.184 -12.492 -12.208 1.00 1.99 H new ATOM 214 N GLU A 16 -23.257 -8.965 -13.382 1.00 0.95 N ATOM 215 CA GLU A 16 -21.803 -8.876 -13.399 1.00 0.94 C ATOM 216 C GLU A 16 -21.257 -8.512 -12.021 1.00 0.83 C ATOM 217 O GLU A 16 -20.485 -9.265 -11.425 1.00 0.86 O ATOM 218 CB GLU A 16 -21.345 -7.850 -14.434 1.00 1.06 C ATOM 219 CG GLU A 16 -20.698 -8.470 -15.659 1.00 1.37 C ATOM 220 CD GLU A 16 -21.389 -8.079 -16.949 1.00 1.45 C ATOM 221 OE1 GLU A 16 -21.751 -6.890 -17.096 1.00 1.53 O ATOM 222 OE2 GLU A 16 -21.580 -8.962 -17.816 1.00 1.93 O ATOM 0 H GLU A 16 -23.727 -8.296 -13.991 1.00 0.95 H new ATOM 0 HA GLU A 16 -21.410 -9.855 -13.672 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -22.203 -7.255 -14.748 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -20.637 -7.166 -13.966 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -19.652 -8.165 -15.705 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -20.710 -9.555 -15.560 1.00 1.37 H new ATOM 229 N SER A 17 -21.682 -7.370 -11.503 1.00 0.83 N ATOM 230 CA SER A 17 -21.191 -6.901 -10.217 1.00 0.89 C ATOM 231 C SER A 17 -21.892 -7.612 -9.064 1.00 0.85 C ATOM 232 O SER A 17 -21.454 -7.518 -7.918 1.00 0.88 O ATOM 233 CB SER A 17 -21.351 -5.388 -10.100 1.00 1.09 C ATOM 234 OG SER A 17 -20.374 -4.725 -10.884 1.00 1.48 O ATOM 0 H SER A 17 -22.361 -6.754 -11.950 1.00 0.83 H new ATOM 0 HA SER A 17 -20.129 -7.140 -10.156 1.00 0.89 H new ATOM 0 HB2 SER A 17 -22.349 -5.095 -10.427 1.00 1.09 H new ATOM 0 HB3 SER A 17 -21.256 -5.086 -9.057 1.00 1.09 H new ATOM 0 HG SER A 17 -20.118 -3.886 -10.447 1.00 1.48 H new ATOM 240 N LYS A 18 -22.976 -8.324 -9.359 1.00 0.85 N ATOM 241 CA LYS A 18 -23.630 -9.134 -8.344 1.00 0.92 C ATOM 242 C LYS A 18 -22.739 -10.316 -7.982 1.00 0.84 C ATOM 243 O LYS A 18 -22.442 -10.544 -6.811 1.00 0.85 O ATOM 244 CB LYS A 18 -24.999 -9.627 -8.817 1.00 1.07 C ATOM 245 CG LYS A 18 -26.128 -9.309 -7.843 1.00 1.38 C ATOM 246 CD LYS A 18 -26.190 -10.315 -6.699 1.00 1.76 C ATOM 247 CE LYS A 18 -25.620 -9.736 -5.412 1.00 2.42 C ATOM 248 NZ LYS A 18 -26.400 -10.153 -4.217 1.00 2.96 N ATOM 0 H LYS A 18 -23.413 -8.355 -10.280 1.00 0.85 H new ATOM 0 HA LYS A 18 -23.790 -8.514 -7.462 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -25.225 -9.176 -9.783 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -24.955 -10.705 -8.971 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -25.987 -8.307 -7.438 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -27.078 -9.307 -8.377 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -27.224 -10.618 -6.536 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -25.635 -11.212 -6.972 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -24.584 -10.057 -5.298 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -25.611 -8.648 -5.477 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -25.977 -9.736 -3.363 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -27.382 -9.825 -4.312 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -26.387 -11.190 -4.139 1.00 2.96 H new ATOM 262 N LEU A 19 -22.294 -11.046 -9.001 1.00 0.82 N ATOM 263 CA LEU A 19 -21.396 -12.177 -8.801 1.00 0.84 C ATOM 264 C LEU A 19 -20.077 -11.706 -8.199 1.00 0.80 C ATOM 265 O LEU A 19 -19.537 -12.335 -7.292 1.00 0.82 O ATOM 266 CB LEU A 19 -21.140 -12.895 -10.130 1.00 0.96 C ATOM 267 CG LEU A 19 -21.732 -14.304 -10.242 1.00 1.16 C ATOM 268 CD1 LEU A 19 -21.226 -15.187 -9.110 1.00 1.73 C ATOM 269 CD2 LEU A 19 -23.255 -14.247 -10.242 1.00 1.81 C ATOM 0 H LEU A 19 -22.542 -10.873 -9.975 1.00 0.82 H new ATOM 0 HA LEU A 19 -21.868 -12.875 -8.110 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -21.545 -12.284 -10.937 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -20.063 -12.958 -10.287 1.00 0.96 H new ATOM 0 HG LEU A 19 -21.407 -14.740 -11.187 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -21.657 -16.184 -9.206 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -20.139 -15.255 -9.160 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -21.519 -14.755 -8.153 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -23.657 -15.257 -10.322 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -23.602 -13.791 -9.315 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -23.597 -13.652 -11.089 1.00 1.81 H new ATOM 281 N ALA A 20 -19.579 -10.583 -8.703 1.00 0.82 N ATOM 282 CA ALA A 20 -18.350 -9.995 -8.193 1.00 0.91 C ATOM 283 C ALA A 20 -18.472 -9.688 -6.705 1.00 0.84 C ATOM 284 O ALA A 20 -17.617 -10.080 -5.912 1.00 0.87 O ATOM 285 CB ALA A 20 -18.010 -8.733 -8.970 1.00 1.08 C ATOM 0 H ALA A 20 -20.010 -10.062 -9.466 1.00 0.82 H new ATOM 0 HA ALA A 20 -17.544 -10.716 -8.325 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -17.088 -8.302 -8.579 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -17.877 -8.979 -10.024 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -18.821 -8.012 -8.865 1.00 1.08 H new ATOM 291 N GLU A 21 -19.561 -9.018 -6.329 1.00 0.85 N ATOM 292 CA GLU A 21 -19.791 -8.625 -4.942 1.00 0.94 C ATOM 293 C GLU A 21 -19.928 -9.846 -4.038 1.00 0.84 C ATOM 294 O GLU A 21 -19.568 -9.802 -2.862 1.00 0.85 O ATOM 295 CB GLU A 21 -21.044 -7.757 -4.839 1.00 1.13 C ATOM 296 CG GLU A 21 -21.069 -6.867 -3.611 1.00 1.72 C ATOM 297 CD GLU A 21 -22.468 -6.663 -3.076 1.00 2.05 C ATOM 298 OE1 GLU A 21 -23.216 -5.847 -3.650 1.00 2.69 O ATOM 299 OE2 GLU A 21 -22.827 -7.322 -2.077 1.00 2.14 O ATOM 0 H GLU A 21 -20.301 -8.735 -6.971 1.00 0.85 H new ATOM 0 HA GLU A 21 -18.927 -8.049 -4.609 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -21.118 -7.134 -5.730 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -21.922 -8.402 -4.827 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -20.446 -7.308 -2.833 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -20.633 -5.899 -3.858 1.00 1.72 H new ATOM 306 N ILE A 22 -20.454 -10.931 -4.585 1.00 0.83 N ATOM 307 CA ILE A 22 -20.584 -12.171 -3.836 1.00 0.91 C ATOM 308 C ILE A 22 -19.207 -12.687 -3.422 1.00 0.82 C ATOM 309 O ILE A 22 -19.001 -13.103 -2.286 1.00 0.86 O ATOM 310 CB ILE A 22 -21.325 -13.255 -4.659 1.00 1.09 C ATOM 311 CG1 ILE A 22 -22.823 -12.954 -4.702 1.00 1.25 C ATOM 312 CG2 ILE A 22 -21.080 -14.648 -4.088 1.00 1.40 C ATOM 313 CD1 ILE A 22 -23.519 -13.523 -5.921 1.00 1.91 C ATOM 0 H ILE A 22 -20.798 -10.978 -5.544 1.00 0.83 H new ATOM 0 HA ILE A 22 -21.174 -11.958 -2.944 1.00 0.91 H new ATOM 0 HB ILE A 22 -20.930 -13.235 -5.675 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -23.292 -13.357 -3.804 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -22.969 -11.874 -4.681 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -21.613 -15.386 -4.687 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -20.012 -14.867 -4.108 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -21.439 -14.688 -3.060 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -24.579 -13.271 -5.886 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -23.076 -13.101 -6.823 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -23.404 -14.607 -5.933 1.00 1.91 H new ATOM 325 N TRP A 23 -18.260 -12.619 -4.342 1.00 0.79 N ATOM 326 CA TRP A 23 -16.927 -13.156 -4.104 1.00 0.84 C ATOM 327 C TRP A 23 -16.074 -12.205 -3.266 1.00 0.82 C ATOM 328 O TRP A 23 -15.447 -12.620 -2.287 1.00 0.94 O ATOM 329 CB TRP A 23 -16.240 -13.447 -5.437 1.00 0.90 C ATOM 330 CG TRP A 23 -16.735 -14.700 -6.094 1.00 0.98 C ATOM 331 CD1 TRP A 23 -17.941 -14.890 -6.709 1.00 1.26 C ATOM 332 CD2 TRP A 23 -16.034 -15.942 -6.199 1.00 0.95 C ATOM 333 NE1 TRP A 23 -18.029 -16.172 -7.189 1.00 1.33 N ATOM 334 CE2 TRP A 23 -16.872 -16.838 -6.889 1.00 1.14 C ATOM 335 CE3 TRP A 23 -14.778 -16.382 -5.781 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -16.488 -18.146 -7.170 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -14.402 -17.683 -6.057 1.00 1.16 C ATOM 338 CH2 TRP A 23 -15.256 -18.551 -6.745 1.00 1.24 C ATOM 0 H TRP A 23 -18.388 -12.197 -5.262 1.00 0.79 H new ATOM 0 HA TRP A 23 -17.035 -14.082 -3.540 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -16.397 -12.605 -6.111 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -15.165 -13.530 -5.274 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -18.712 -14.140 -6.803 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -18.827 -16.565 -7.688 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -14.111 -15.718 -5.251 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -17.143 -18.817 -7.706 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -13.433 -18.035 -5.736 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -14.934 -19.562 -6.944 1.00 1.24 H new ATOM 349 N GLU A 24 -16.085 -10.930 -3.634 1.00 0.80 N ATOM 350 CA GLU A 24 -15.191 -9.940 -3.037 1.00 0.93 C ATOM 351 C GLU A 24 -15.636 -9.504 -1.642 1.00 0.90 C ATOM 352 O GLU A 24 -14.911 -8.781 -0.960 1.00 1.04 O ATOM 353 CB GLU A 24 -15.087 -8.712 -3.945 1.00 1.20 C ATOM 354 CG GLU A 24 -16.385 -7.928 -4.061 1.00 1.75 C ATOM 355 CD GLU A 24 -16.165 -6.433 -4.078 1.00 2.29 C ATOM 356 OE1 GLU A 24 -15.612 -5.925 -5.074 1.00 2.65 O ATOM 357 OE2 GLU A 24 -16.547 -5.758 -3.097 1.00 2.78 O ATOM 0 H GLU A 24 -16.708 -10.553 -4.349 1.00 0.80 H new ATOM 0 HA GLU A 24 -14.217 -10.418 -2.934 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -14.307 -8.053 -3.563 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -14.775 -9.031 -4.939 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -16.904 -8.225 -4.973 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -17.036 -8.186 -3.226 1.00 1.75 H new ATOM 364 N ARG A 25 -16.824 -9.915 -1.221 1.00 0.97 N ATOM 365 CA ARG A 25 -17.323 -9.524 0.096 1.00 1.16 C ATOM 366 C ARG A 25 -17.612 -10.739 0.975 1.00 1.21 C ATOM 367 O ARG A 25 -17.949 -10.595 2.150 1.00 1.50 O ATOM 368 CB ARG A 25 -18.577 -8.661 -0.039 1.00 1.41 C ATOM 369 CG ARG A 25 -18.426 -7.520 -1.035 1.00 1.99 C ATOM 370 CD ARG A 25 -18.713 -6.168 -0.406 1.00 2.67 C ATOM 371 NE ARG A 25 -17.873 -5.908 0.764 1.00 3.12 N ATOM 372 CZ ARG A 25 -16.651 -5.374 0.708 1.00 3.67 C ATOM 373 NH1 ARG A 25 -16.069 -5.126 -0.460 1.00 3.90 N ATOM 374 NH2 ARG A 25 -15.995 -5.111 1.832 1.00 4.40 N ATOM 0 H ARG A 25 -17.454 -10.510 -1.760 1.00 0.97 H new ATOM 0 HA ARG A 25 -16.540 -8.940 0.581 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -19.411 -9.292 -0.346 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -18.831 -8.249 0.937 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -17.413 -7.524 -1.438 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -19.104 -7.680 -1.874 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -18.553 -5.384 -1.146 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -19.762 -6.121 -0.114 1.00 2.67 H new ATOM 0 HE ARG A 25 -18.246 -6.151 1.682 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -16.556 -5.344 -1.329 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -15.135 -4.718 -0.488 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -16.425 -5.317 2.734 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -15.061 -4.703 1.794 1.00 4.40 H new ATOM 388 N VAL A 26 -17.477 -11.931 0.410 1.00 1.11 N ATOM 389 CA VAL A 26 -17.704 -13.156 1.171 1.00 1.34 C ATOM 390 C VAL A 26 -16.383 -13.874 1.433 1.00 1.36 C ATOM 391 O VAL A 26 -16.073 -14.235 2.571 1.00 1.78 O ATOM 392 CB VAL A 26 -18.689 -14.104 0.445 1.00 1.54 C ATOM 393 CG1 VAL A 26 -18.549 -15.544 0.930 1.00 2.01 C ATOM 394 CG2 VAL A 26 -20.118 -13.619 0.635 1.00 1.66 C ATOM 0 H VAL A 26 -17.214 -12.078 -0.564 1.00 1.11 H new ATOM 0 HA VAL A 26 -18.152 -12.872 2.124 1.00 1.34 H new ATOM 0 HB VAL A 26 -18.443 -14.090 -0.617 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -19.257 -16.178 0.397 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -17.534 -15.895 0.741 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -18.755 -15.589 1.999 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -20.803 -14.293 0.120 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -20.358 -13.601 1.698 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -20.219 -12.615 0.223 1.00 1.66 H new ATOM 404 N LEU A 27 -15.596 -14.062 0.379 1.00 1.20 N ATOM 405 CA LEU A 27 -14.325 -14.769 0.492 1.00 1.40 C ATOM 406 C LEU A 27 -13.177 -13.782 0.667 1.00 1.42 C ATOM 407 O LEU A 27 -12.772 -13.469 1.789 1.00 1.89 O ATOM 408 CB LEU A 27 -14.085 -15.640 -0.746 1.00 1.51 C ATOM 409 CG LEU A 27 -14.989 -16.868 -0.862 1.00 2.02 C ATOM 410 CD1 LEU A 27 -14.746 -17.579 -2.182 1.00 2.17 C ATOM 411 CD2 LEU A 27 -14.759 -17.815 0.309 1.00 2.85 C ATOM 0 H LEU A 27 -15.815 -13.735 -0.562 1.00 1.20 H new ATOM 0 HA LEU A 27 -14.369 -15.412 1.371 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -14.219 -15.024 -1.635 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -13.047 -15.972 -0.742 1.00 1.51 H new ATOM 0 HG LEU A 27 -16.027 -16.538 -0.834 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -15.396 -18.451 -2.251 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -14.962 -16.899 -3.006 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -13.705 -17.897 -2.237 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -15.411 -18.683 0.209 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -13.719 -18.141 0.314 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -14.982 -17.299 1.243 1.00 2.85 H new ATOM 423 N GLY A 28 -12.664 -13.288 -0.446 1.00 1.29 N ATOM 424 CA GLY A 28 -11.568 -12.349 -0.399 1.00 1.52 C ATOM 425 C GLY A 28 -12.062 -10.924 -0.359 1.00 1.37 C ATOM 426 O GLY A 28 -12.263 -10.300 -1.402 1.00 1.73 O ATOM 0 H GLY A 28 -12.989 -13.522 -1.384 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -10.955 -12.547 0.480 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -10.929 -12.489 -1.271 1.00 1.52 H new ATOM 430 N VAL A 29 -12.278 -10.415 0.845 1.00 1.31 N ATOM 431 CA VAL A 29 -12.755 -9.053 1.025 1.00 1.31 C ATOM 432 C VAL A 29 -11.734 -8.062 0.482 1.00 1.43 C ATOM 433 O VAL A 29 -10.680 -7.847 1.080 1.00 1.90 O ATOM 434 CB VAL A 29 -13.045 -8.748 2.510 1.00 1.49 C ATOM 435 CG1 VAL A 29 -13.560 -7.327 2.680 1.00 1.78 C ATOM 436 CG2 VAL A 29 -14.042 -9.748 3.072 1.00 1.92 C ATOM 0 H VAL A 29 -12.130 -10.927 1.714 1.00 1.31 H new ATOM 0 HA VAL A 29 -13.688 -8.951 0.470 1.00 1.31 H new ATOM 0 HB VAL A 29 -12.112 -8.839 3.066 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -13.757 -7.135 3.735 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -12.811 -6.623 2.317 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -14.481 -7.203 2.110 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -14.236 -9.519 4.120 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -14.974 -9.688 2.509 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -13.633 -10.755 2.990 1.00 1.92 H new ATOM 446 N SER A 30 -12.037 -7.482 -0.670 1.00 1.40 N ATOM 447 CA SER A 30 -11.113 -6.568 -1.321 1.00 1.56 C ATOM 448 C SER A 30 -11.820 -5.298 -1.785 1.00 1.53 C ATOM 449 O SER A 30 -11.545 -4.210 -1.280 1.00 2.21 O ATOM 450 CB SER A 30 -10.434 -7.260 -2.508 1.00 1.76 C ATOM 451 OG SER A 30 -10.304 -8.655 -2.279 1.00 1.94 O ATOM 0 H SER A 30 -12.913 -7.628 -1.171 1.00 1.40 H new ATOM 0 HA SER A 30 -10.355 -6.281 -0.592 1.00 1.56 H new ATOM 0 HB2 SER A 30 -11.016 -7.090 -3.414 1.00 1.76 H new ATOM 0 HB3 SER A 30 -9.450 -6.822 -2.674 1.00 1.76 H new ATOM 0 HG SER A 30 -11.189 -9.044 -2.118 1.00 1.94 H new ATOM 457 N GLY A 31 -12.741 -5.441 -2.732 1.00 1.30 N ATOM 458 CA GLY A 31 -13.406 -4.285 -3.303 1.00 1.27 C ATOM 459 C GLY A 31 -12.857 -3.953 -4.676 1.00 1.21 C ATOM 460 O GLY A 31 -11.961 -3.122 -4.814 1.00 1.58 O ATOM 0 H GLY A 31 -13.039 -6.338 -3.115 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -14.476 -4.478 -3.374 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -13.280 -3.428 -2.642 1.00 1.27 H new ATOM 464 N ILE A 32 -13.395 -4.608 -5.694 1.00 1.13 N ATOM 465 CA ILE A 32 -12.884 -4.465 -7.051 1.00 1.29 C ATOM 466 C ILE A 32 -14.011 -4.351 -8.066 1.00 1.38 C ATOM 467 O ILE A 32 -14.114 -3.358 -8.787 1.00 2.01 O ATOM 468 CB ILE A 32 -11.987 -5.658 -7.453 1.00 1.71 C ATOM 469 CG1 ILE A 32 -12.337 -6.904 -6.638 1.00 2.68 C ATOM 470 CG2 ILE A 32 -10.523 -5.306 -7.273 1.00 2.03 C ATOM 471 CD1 ILE A 32 -13.068 -7.962 -7.436 1.00 3.56 C ATOM 0 H ILE A 32 -14.187 -5.245 -5.607 1.00 1.13 H new ATOM 0 HA ILE A 32 -12.294 -3.548 -7.056 1.00 1.29 H new ATOM 0 HB ILE A 32 -12.167 -5.876 -8.506 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -11.420 -7.334 -6.234 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -12.953 -6.611 -5.788 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -9.906 -6.157 -7.561 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -10.275 -4.450 -7.900 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -10.334 -5.058 -6.229 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -13.284 -8.817 -6.795 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -14.002 -7.549 -7.818 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -12.445 -8.283 -8.271 1.00 3.56 H new ATOM 483 N GLY A 33 -14.858 -5.364 -8.112 1.00 1.59 N ATOM 484 CA GLY A 33 -15.873 -5.432 -9.140 1.00 1.93 C ATOM 485 C GLY A 33 -15.483 -6.397 -10.242 1.00 1.81 C ATOM 486 O GLY A 33 -14.947 -7.470 -9.972 1.00 2.28 O ATOM 0 H GLY A 33 -14.861 -6.143 -7.454 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -16.819 -5.745 -8.699 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -16.031 -4.440 -9.563 1.00 1.93 H new ATOM 490 N ILE A 34 -15.727 -6.013 -11.485 1.00 1.73 N ATOM 491 CA ILE A 34 -15.410 -6.866 -12.620 1.00 1.78 C ATOM 492 C ILE A 34 -14.418 -6.184 -13.555 1.00 1.93 C ATOM 493 O ILE A 34 -14.808 -5.440 -14.454 1.00 2.58 O ATOM 494 CB ILE A 34 -16.678 -7.257 -13.417 1.00 1.94 C ATOM 495 CG1 ILE A 34 -17.754 -6.176 -13.291 1.00 2.07 C ATOM 496 CG2 ILE A 34 -17.213 -8.598 -12.940 1.00 2.43 C ATOM 497 CD1 ILE A 34 -18.168 -5.579 -14.619 1.00 2.67 C ATOM 0 H ILE A 34 -16.144 -5.116 -11.734 1.00 1.73 H new ATOM 0 HA ILE A 34 -14.961 -7.773 -12.216 1.00 1.78 H new ATOM 0 HB ILE A 34 -16.406 -7.346 -14.469 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -18.631 -6.602 -12.804 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -17.385 -5.381 -12.643 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -18.105 -8.858 -13.511 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -16.453 -9.365 -13.085 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -17.466 -8.533 -11.882 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -18.933 -4.820 -14.454 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -17.302 -5.123 -15.099 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -18.567 -6.363 -15.262 1.00 2.67 H new ATOM 509 N LEU A 35 -13.133 -6.426 -13.333 1.00 1.70 N ATOM 510 CA LEU A 35 -12.100 -5.860 -14.189 1.00 1.89 C ATOM 511 C LEU A 35 -10.851 -6.740 -14.200 1.00 1.85 C ATOM 512 O LEU A 35 -10.525 -7.340 -15.227 1.00 2.19 O ATOM 513 CB LEU A 35 -11.772 -4.410 -13.776 1.00 2.03 C ATOM 514 CG LEU A 35 -11.058 -4.222 -12.432 1.00 1.96 C ATOM 515 CD1 LEU A 35 -10.172 -2.989 -12.472 1.00 2.44 C ATOM 516 CD2 LEU A 35 -12.061 -4.118 -11.293 1.00 2.46 C ATOM 0 H LEU A 35 -12.783 -7.007 -12.572 1.00 1.70 H new ATOM 0 HA LEU A 35 -12.485 -5.830 -15.208 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -11.153 -3.966 -14.555 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -12.704 -3.845 -13.748 1.00 2.03 H new ATOM 0 HG LEU A 35 -10.433 -5.097 -12.254 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -9.672 -2.869 -11.511 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -9.425 -3.103 -13.258 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -10.782 -2.109 -12.676 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -11.529 -3.985 -10.351 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -12.717 -3.264 -11.463 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -12.656 -5.030 -11.248 1.00 2.46 H new ATOM 528 N ASP A 36 -10.173 -6.844 -13.059 1.00 1.95 N ATOM 529 CA ASP A 36 -8.936 -7.606 -12.957 1.00 2.14 C ATOM 530 C ASP A 36 -8.439 -7.606 -11.514 1.00 1.49 C ATOM 531 O ASP A 36 -9.022 -6.941 -10.656 1.00 1.80 O ATOM 532 CB ASP A 36 -7.861 -7.004 -13.873 1.00 3.20 C ATOM 533 CG ASP A 36 -6.767 -7.990 -14.228 1.00 3.75 C ATOM 534 OD1 ASP A 36 -6.926 -8.742 -15.213 1.00 4.20 O ATOM 535 OD2 ASP A 36 -5.741 -8.022 -13.517 1.00 4.01 O ATOM 0 H ASP A 36 -10.465 -6.405 -12.186 1.00 1.95 H new ATOM 0 HA ASP A 36 -9.134 -8.631 -13.269 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -8.331 -6.646 -14.789 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -7.417 -6.138 -13.383 1.00 3.20 H new ATOM 540 N ASN A 37 -7.381 -8.377 -11.263 1.00 1.38 N ATOM 541 CA ASN A 37 -6.681 -8.398 -9.972 1.00 1.74 C ATOM 542 C ASN A 37 -7.545 -8.946 -8.839 1.00 1.40 C ATOM 543 O ASN A 37 -7.308 -8.646 -7.667 1.00 1.90 O ATOM 544 CB ASN A 37 -6.150 -7.008 -9.617 1.00 2.65 C ATOM 545 CG ASN A 37 -4.642 -6.926 -9.747 1.00 3.55 C ATOM 546 OD1 ASN A 37 -3.939 -6.627 -8.784 1.00 4.12 O ATOM 547 ND2 ASN A 37 -4.132 -7.190 -10.941 1.00 4.13 N ATOM 0 H ASN A 37 -6.980 -9.011 -11.954 1.00 1.38 H new ATOM 0 HA ASN A 37 -5.839 -9.081 -10.087 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -6.611 -6.266 -10.269 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -6.440 -6.759 -8.596 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -3.123 -7.149 -11.085 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -4.748 -7.435 -11.716 1.00 4.13 H new ATOM 554 N PHE A 38 -8.542 -9.743 -9.213 1.00 1.23 N ATOM 555 CA PHE A 38 -9.348 -10.522 -8.274 1.00 1.41 C ATOM 556 C PHE A 38 -10.490 -11.177 -9.025 1.00 1.51 C ATOM 557 O PHE A 38 -11.106 -10.548 -9.886 1.00 2.27 O ATOM 558 CB PHE A 38 -9.912 -9.681 -7.124 1.00 1.89 C ATOM 559 CG PHE A 38 -10.447 -10.525 -5.998 1.00 1.43 C ATOM 560 CD1 PHE A 38 -9.637 -11.441 -5.348 1.00 1.62 C ATOM 561 CD2 PHE A 38 -11.760 -10.388 -5.582 1.00 1.78 C ATOM 562 CE1 PHE A 38 -10.128 -12.205 -4.308 1.00 2.03 C ATOM 563 CE2 PHE A 38 -12.255 -11.146 -4.540 1.00 1.88 C ATOM 564 CZ PHE A 38 -11.429 -12.108 -3.937 1.00 1.97 C ATOM 0 H PHE A 38 -8.817 -9.868 -10.187 1.00 1.23 H new ATOM 0 HA PHE A 38 -8.692 -11.269 -7.828 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -9.130 -9.025 -6.741 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -10.708 -9.041 -7.503 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -8.609 -11.559 -5.658 1.00 1.62 H new ATOM 0 HD2 PHE A 38 -12.405 -9.679 -6.079 1.00 1.78 H new ATOM 0 HE1 PHE A 38 -9.471 -12.885 -3.786 1.00 2.03 H new ATOM 0 HE2 PHE A 38 -13.267 -11.001 -4.192 1.00 1.88 H new ATOM 0 HZ PHE A 38 -11.828 -12.768 -3.181 1.00 1.97 H new ATOM 574 N PHE A 39 -10.755 -12.441 -8.691 1.00 1.24 N ATOM 575 CA PHE A 39 -11.775 -13.249 -9.361 1.00 1.51 C ATOM 576 C PHE A 39 -11.369 -13.535 -10.807 1.00 1.25 C ATOM 577 O PHE A 39 -10.969 -14.652 -11.138 1.00 1.22 O ATOM 578 CB PHE A 39 -13.152 -12.569 -9.310 1.00 2.01 C ATOM 579 CG PHE A 39 -14.283 -13.475 -9.697 1.00 1.77 C ATOM 580 CD1 PHE A 39 -14.232 -14.828 -9.406 1.00 1.63 C ATOM 581 CD2 PHE A 39 -15.395 -12.974 -10.351 1.00 1.94 C ATOM 582 CE1 PHE A 39 -15.268 -15.666 -9.761 1.00 1.63 C ATOM 583 CE2 PHE A 39 -16.438 -13.807 -10.710 1.00 1.93 C ATOM 584 CZ PHE A 39 -16.374 -15.156 -10.413 1.00 1.75 C ATOM 0 H PHE A 39 -10.266 -12.935 -7.945 1.00 1.24 H new ATOM 0 HA PHE A 39 -11.853 -14.196 -8.827 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -13.326 -12.195 -8.301 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -13.146 -11.705 -9.974 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -13.370 -15.232 -8.895 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -15.448 -11.921 -10.583 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -15.215 -16.720 -9.530 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -17.301 -13.405 -11.221 1.00 1.93 H new ATOM 0 HZ PHE A 39 -17.188 -15.810 -10.690 1.00 1.75 H new ATOM 594 N GLN A 40 -11.435 -12.512 -11.649 1.00 1.25 N ATOM 595 CA GLN A 40 -11.057 -12.630 -13.049 1.00 1.25 C ATOM 596 C GLN A 40 -9.534 -12.599 -13.197 1.00 1.28 C ATOM 597 O GLN A 40 -8.973 -11.720 -13.854 1.00 1.93 O ATOM 598 CB GLN A 40 -11.695 -11.506 -13.871 1.00 1.46 C ATOM 599 CG GLN A 40 -11.665 -10.150 -13.184 1.00 1.85 C ATOM 600 CD GLN A 40 -13.034 -9.695 -12.719 1.00 1.75 C ATOM 601 OE1 GLN A 40 -13.962 -9.575 -13.513 1.00 2.39 O ATOM 602 NE2 GLN A 40 -13.167 -9.432 -11.426 1.00 1.80 N ATOM 0 H GLN A 40 -11.751 -11.580 -11.381 1.00 1.25 H new ATOM 0 HA GLN A 40 -11.422 -13.586 -13.425 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -11.178 -11.430 -14.828 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -12.730 -11.770 -14.088 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -10.993 -10.197 -12.327 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -11.255 -9.409 -13.871 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -12.371 -9.544 -10.798 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -14.065 -9.117 -11.059 1.00 1.80 H new ATOM 611 N ILE A 41 -8.876 -13.557 -12.560 1.00 1.12 N ATOM 612 CA ILE A 41 -7.428 -13.698 -12.649 1.00 1.27 C ATOM 613 C ILE A 41 -7.067 -15.067 -13.209 1.00 1.35 C ATOM 614 O ILE A 41 -6.265 -15.183 -14.135 1.00 1.77 O ATOM 615 CB ILE A 41 -6.726 -13.532 -11.279 1.00 1.70 C ATOM 616 CG1 ILE A 41 -7.743 -13.309 -10.159 1.00 2.36 C ATOM 617 CG2 ILE A 41 -5.731 -12.385 -11.325 1.00 2.27 C ATOM 618 CD1 ILE A 41 -7.396 -14.030 -8.872 1.00 3.23 C ATOM 0 H ILE A 41 -9.327 -14.256 -11.970 1.00 1.12 H new ATOM 0 HA ILE A 41 -7.082 -12.903 -13.310 1.00 1.27 H new ATOM 0 HB ILE A 41 -6.187 -14.455 -11.066 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -7.821 -12.241 -9.958 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -8.724 -13.641 -10.499 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -5.248 -12.284 -10.353 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -4.977 -12.587 -12.086 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -6.253 -11.460 -11.569 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -8.161 -13.826 -8.123 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -7.347 -15.103 -9.058 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -6.430 -13.680 -8.508 1.00 3.23 H new ATOM 630 N GLY A 42 -7.676 -16.100 -12.637 1.00 1.60 N ATOM 631 CA GLY A 42 -7.395 -17.455 -13.053 1.00 1.96 C ATOM 632 C GLY A 42 -6.778 -18.265 -11.935 1.00 1.64 C ATOM 633 O GLY A 42 -5.692 -17.941 -11.456 1.00 2.06 O ATOM 0 H GLY A 42 -8.363 -16.018 -11.888 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -8.317 -17.933 -13.383 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -6.719 -17.441 -13.908 1.00 1.96 H new ATOM 637 N GLY A 43 -7.477 -19.302 -11.501 1.00 1.60 N ATOM 638 CA GLY A 43 -6.971 -20.144 -10.440 1.00 1.92 C ATOM 639 C GLY A 43 -7.944 -21.242 -10.074 1.00 1.62 C ATOM 640 O GLY A 43 -8.823 -21.590 -10.867 1.00 2.17 O ATOM 0 H GLY A 43 -8.389 -19.576 -11.867 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -6.024 -20.587 -10.749 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -6.765 -19.534 -9.560 1.00 1.92 H new ATOM 644 N HIS A 44 -7.790 -21.785 -8.877 1.00 1.25 N ATOM 645 CA HIS A 44 -8.656 -22.854 -8.404 1.00 1.22 C ATOM 646 C HIS A 44 -9.278 -22.485 -7.064 1.00 1.13 C ATOM 647 O HIS A 44 -8.880 -23.003 -6.017 1.00 1.36 O ATOM 648 CB HIS A 44 -7.866 -24.161 -8.272 1.00 1.54 C ATOM 649 CG HIS A 44 -8.635 -25.375 -8.697 1.00 1.39 C ATOM 650 ND1 HIS A 44 -9.313 -26.179 -7.812 1.00 1.94 N ATOM 651 CD2 HIS A 44 -8.836 -25.915 -9.922 1.00 1.92 C ATOM 652 CE1 HIS A 44 -9.897 -27.161 -8.470 1.00 2.26 C ATOM 653 NE2 HIS A 44 -9.625 -27.028 -9.754 1.00 2.26 N ATOM 0 H HIS A 44 -7.070 -21.502 -8.212 1.00 1.25 H new ATOM 0 HA HIS A 44 -9.454 -22.996 -9.133 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -6.958 -24.089 -8.871 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -7.554 -24.284 -7.235 1.00 1.54 H new ATOM 0 HD2 HIS A 44 -8.448 -25.541 -10.858 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -10.498 -27.944 -8.031 1.00 2.26 H new ATOM 0 HE2 HIS A 44 -9.946 -27.648 -10.498 1.00 2.26 H new ATOM 662 N SER A 45 -10.240 -21.579 -7.097 1.00 1.01 N ATOM 663 CA SER A 45 -10.941 -21.163 -5.895 1.00 1.10 C ATOM 664 C SER A 45 -11.862 -22.276 -5.401 1.00 1.13 C ATOM 665 O SER A 45 -12.432 -23.025 -6.197 1.00 1.31 O ATOM 666 CB SER A 45 -11.740 -19.896 -6.188 1.00 1.19 C ATOM 667 OG SER A 45 -11.320 -19.311 -7.411 1.00 1.19 O ATOM 0 H SER A 45 -10.555 -21.115 -7.949 1.00 1.01 H new ATOM 0 HA SER A 45 -10.214 -20.954 -5.110 1.00 1.10 H new ATOM 0 HB2 SER A 45 -12.803 -20.133 -6.238 1.00 1.19 H new ATOM 0 HB3 SER A 45 -11.611 -19.182 -5.374 1.00 1.19 H new ATOM 0 HG SER A 45 -11.935 -18.588 -7.656 1.00 1.19 H new ATOM 673 N LEU A 46 -12.006 -22.388 -4.089 1.00 1.21 N ATOM 674 CA LEU A 46 -12.806 -23.452 -3.500 1.00 1.32 C ATOM 675 C LEU A 46 -14.250 -23.006 -3.277 1.00 1.35 C ATOM 676 O LEU A 46 -14.704 -22.887 -2.139 1.00 1.77 O ATOM 677 CB LEU A 46 -12.192 -23.912 -2.175 1.00 1.50 C ATOM 678 CG LEU A 46 -11.381 -25.210 -2.244 1.00 1.83 C ATOM 679 CD1 LEU A 46 -11.270 -25.840 -0.865 1.00 2.37 C ATOM 680 CD2 LEU A 46 -12.013 -26.187 -3.224 1.00 2.35 C ATOM 0 H LEU A 46 -11.580 -21.755 -3.412 1.00 1.21 H new ATOM 0 HA LEU A 46 -12.812 -24.287 -4.201 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -11.546 -23.119 -1.798 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -12.994 -24.042 -1.448 1.00 1.50 H new ATOM 0 HG LEU A 46 -10.379 -24.969 -2.598 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -10.691 -26.761 -0.931 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -10.772 -25.147 -0.187 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -12.267 -26.065 -0.486 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -11.422 -27.102 -3.258 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -13.027 -26.422 -2.901 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -12.044 -25.738 -4.217 1.00 2.35 H new ATOM 692 N LYS A 47 -14.968 -22.766 -4.366 1.00 1.23 N ATOM 693 CA LYS A 47 -16.375 -22.390 -4.286 1.00 1.28 C ATOM 694 C LYS A 47 -17.152 -23.001 -5.444 1.00 1.27 C ATOM 695 O LYS A 47 -16.576 -23.295 -6.489 1.00 1.27 O ATOM 696 CB LYS A 47 -16.536 -20.868 -4.289 1.00 1.30 C ATOM 697 CG LYS A 47 -16.863 -20.290 -2.922 1.00 1.49 C ATOM 698 CD LYS A 47 -18.295 -19.782 -2.857 1.00 1.72 C ATOM 699 CE LYS A 47 -18.778 -19.675 -1.418 1.00 1.61 C ATOM 700 NZ LYS A 47 -20.261 -19.607 -1.324 1.00 2.27 N ATOM 0 H LYS A 47 -14.600 -22.825 -5.316 1.00 1.23 H new ATOM 0 HA LYS A 47 -16.776 -22.775 -3.348 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -15.615 -20.414 -4.656 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -17.326 -20.596 -4.988 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -16.712 -21.053 -2.158 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -16.176 -19.474 -2.698 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -18.359 -18.806 -3.338 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -18.948 -20.455 -3.413 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -18.419 -20.535 -0.852 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -18.346 -18.787 -0.957 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -20.543 -19.535 -0.325 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -20.604 -18.773 -1.841 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -20.675 -20.466 -1.739 1.00 2.27 H new ATOM 714 N ALA A 48 -18.457 -23.180 -5.250 1.00 1.33 N ATOM 715 CA ALA A 48 -19.323 -23.820 -6.243 1.00 1.38 C ATOM 716 C ALA A 48 -19.187 -23.193 -7.626 1.00 1.18 C ATOM 717 O ALA A 48 -19.110 -23.902 -8.625 1.00 1.05 O ATOM 718 CB ALA A 48 -20.771 -23.763 -5.792 1.00 1.64 C ATOM 0 H ALA A 48 -18.945 -22.887 -4.403 1.00 1.33 H new ATOM 0 HA ALA A 48 -19.002 -24.859 -6.323 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -21.404 -24.242 -6.539 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -20.876 -24.283 -4.840 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -21.074 -22.723 -5.673 1.00 1.64 H new ATOM 724 N MET A 49 -19.153 -21.868 -7.678 1.00 1.20 N ATOM 725 CA MET A 49 -19.055 -21.158 -8.952 1.00 1.09 C ATOM 726 C MET A 49 -17.746 -21.487 -9.668 1.00 0.94 C ATOM 727 O MET A 49 -17.704 -21.577 -10.895 1.00 0.85 O ATOM 728 CB MET A 49 -19.168 -19.647 -8.734 1.00 1.22 C ATOM 729 CG MET A 49 -19.358 -18.850 -10.018 1.00 1.35 C ATOM 730 SD MET A 49 -21.090 -18.699 -10.492 1.00 1.95 S ATOM 731 CE MET A 49 -21.047 -19.403 -12.139 1.00 2.58 C ATOM 0 H MET A 49 -19.191 -21.263 -6.858 1.00 1.20 H new ATOM 0 HA MET A 49 -19.881 -21.488 -9.581 1.00 1.09 H new ATOM 0 HB2 MET A 49 -20.007 -19.448 -8.067 1.00 1.22 H new ATOM 0 HB3 MET A 49 -18.269 -19.295 -8.229 1.00 1.22 H new ATOM 0 HG2 MET A 49 -18.933 -17.855 -9.889 1.00 1.35 H new ATOM 0 HG3 MET A 49 -18.805 -19.331 -10.825 1.00 1.35 H new ATOM 0 HE1 MET A 49 -22.062 -19.628 -12.465 1.00 2.58 H new ATOM 0 HE2 MET A 49 -20.595 -18.690 -12.828 1.00 2.58 H new ATOM 0 HE3 MET A 49 -20.458 -20.320 -12.127 1.00 2.58 H new ATOM 741 N ALA A 50 -16.686 -21.684 -8.893 1.00 0.96 N ATOM 742 CA ALA A 50 -15.381 -22.003 -9.451 1.00 0.90 C ATOM 743 C ALA A 50 -15.333 -23.458 -9.896 1.00 0.84 C ATOM 744 O ALA A 50 -14.737 -23.785 -10.924 1.00 0.80 O ATOM 745 CB ALA A 50 -14.288 -21.721 -8.433 1.00 1.06 C ATOM 0 H ALA A 50 -16.707 -21.628 -7.875 1.00 0.96 H new ATOM 0 HA ALA A 50 -15.213 -21.371 -10.323 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -13.317 -21.964 -8.865 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -14.309 -20.666 -8.159 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -14.453 -22.330 -7.544 1.00 1.06 H new ATOM 751 N VAL A 51 -15.974 -24.323 -9.121 1.00 0.90 N ATOM 752 CA VAL A 51 -16.061 -25.737 -9.456 1.00 0.92 C ATOM 753 C VAL A 51 -16.860 -25.927 -10.741 1.00 0.84 C ATOM 754 O VAL A 51 -16.501 -26.734 -11.595 1.00 0.85 O ATOM 755 CB VAL A 51 -16.707 -26.552 -8.314 1.00 1.07 C ATOM 756 CG1 VAL A 51 -16.837 -28.020 -8.696 1.00 1.17 C ATOM 757 CG2 VAL A 51 -15.899 -26.411 -7.031 1.00 1.46 C ATOM 0 H VAL A 51 -16.443 -24.068 -8.252 1.00 0.90 H new ATOM 0 HA VAL A 51 -15.045 -26.104 -9.602 1.00 0.92 H new ATOM 0 HB VAL A 51 -17.707 -26.154 -8.143 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -17.295 -28.571 -7.874 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -17.461 -28.111 -9.585 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -15.849 -28.431 -8.902 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -16.370 -26.992 -6.238 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -14.886 -26.778 -7.197 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -15.862 -25.362 -6.738 1.00 1.46 H new ATOM 767 N ALA A 52 -17.932 -25.157 -10.881 1.00 0.84 N ATOM 768 CA ALA A 52 -18.768 -25.209 -12.072 1.00 0.85 C ATOM 769 C ALA A 52 -17.970 -24.830 -13.317 1.00 0.77 C ATOM 770 O ALA A 52 -18.172 -25.399 -14.388 1.00 0.83 O ATOM 771 CB ALA A 52 -19.972 -24.293 -11.916 1.00 0.97 C ATOM 0 H ALA A 52 -18.244 -24.485 -10.179 1.00 0.84 H new ATOM 0 HA ALA A 52 -19.121 -26.233 -12.193 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -20.587 -24.344 -12.815 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -20.561 -24.610 -11.055 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -19.632 -23.268 -11.766 1.00 0.97 H new ATOM 777 N ALA A 53 -17.061 -23.871 -13.168 1.00 0.72 N ATOM 778 CA ALA A 53 -16.191 -23.464 -14.266 1.00 0.74 C ATOM 779 C ALA A 53 -15.130 -24.527 -14.533 1.00 0.73 C ATOM 780 O ALA A 53 -14.750 -24.764 -15.678 1.00 0.93 O ATOM 781 CB ALA A 53 -15.538 -22.124 -13.959 1.00 0.82 C ATOM 0 H ALA A 53 -16.908 -23.361 -12.298 1.00 0.72 H new ATOM 0 HA ALA A 53 -16.799 -23.354 -15.164 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.892 -21.835 -14.788 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -16.310 -21.367 -13.819 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.944 -22.209 -13.049 1.00 0.82 H new ATOM 787 N GLN A 54 -14.671 -25.169 -13.466 1.00 0.71 N ATOM 788 CA GLN A 54 -13.667 -26.221 -13.563 1.00 0.83 C ATOM 789 C GLN A 54 -14.215 -27.429 -14.326 1.00 0.88 C ATOM 790 O GLN A 54 -13.501 -28.057 -15.110 1.00 1.07 O ATOM 791 CB GLN A 54 -13.202 -26.624 -12.153 1.00 0.99 C ATOM 792 CG GLN A 54 -13.105 -28.125 -11.913 1.00 1.27 C ATOM 793 CD GLN A 54 -11.692 -28.647 -12.067 1.00 1.30 C ATOM 794 OE1 GLN A 54 -11.039 -29.009 -11.090 1.00 1.76 O ATOM 795 NE2 GLN A 54 -11.209 -28.689 -13.297 1.00 1.86 N ATOM 0 H GLN A 54 -14.982 -24.977 -12.514 1.00 0.71 H new ATOM 0 HA GLN A 54 -12.810 -25.842 -14.120 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -12.225 -26.177 -11.967 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -13.891 -26.198 -11.424 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -13.466 -28.353 -10.910 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -13.759 -28.645 -12.613 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -11.783 -28.379 -14.081 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -10.262 -29.031 -13.462 1.00 1.86 H new ATOM 804 N VAL A 55 -15.483 -27.745 -14.088 1.00 0.88 N ATOM 805 CA VAL A 55 -16.138 -28.864 -14.751 1.00 0.98 C ATOM 806 C VAL A 55 -16.640 -28.448 -16.132 1.00 0.96 C ATOM 807 O VAL A 55 -16.779 -29.276 -17.030 1.00 1.10 O ATOM 808 CB VAL A 55 -17.314 -29.406 -13.902 1.00 1.13 C ATOM 809 CG1 VAL A 55 -17.952 -30.622 -14.559 1.00 1.82 C ATOM 810 CG2 VAL A 55 -16.843 -29.753 -12.498 1.00 1.36 C ATOM 0 H VAL A 55 -16.081 -27.237 -13.436 1.00 0.88 H new ATOM 0 HA VAL A 55 -15.402 -29.660 -14.865 1.00 0.98 H new ATOM 0 HB VAL A 55 -18.068 -28.621 -13.836 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -18.775 -30.980 -13.940 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -18.332 -30.347 -15.543 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -17.207 -31.411 -14.665 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -17.683 -30.132 -11.916 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -16.066 -30.515 -12.553 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -16.442 -28.860 -12.018 1.00 1.36 H new ATOM 820 N HIS A 56 -16.910 -27.156 -16.296 1.00 0.95 N ATOM 821 CA HIS A 56 -17.321 -26.622 -17.587 1.00 1.02 C ATOM 822 C HIS A 56 -16.177 -26.737 -18.583 1.00 0.97 C ATOM 823 O HIS A 56 -16.390 -27.031 -19.756 1.00 1.30 O ATOM 824 CB HIS A 56 -17.761 -25.164 -17.462 1.00 1.22 C ATOM 825 CG HIS A 56 -19.135 -24.900 -18.000 1.00 1.39 C ATOM 826 ND1 HIS A 56 -19.424 -24.861 -19.346 1.00 1.92 N ATOM 827 CD2 HIS A 56 -20.307 -24.667 -17.363 1.00 1.81 C ATOM 828 CE1 HIS A 56 -20.707 -24.611 -19.512 1.00 1.97 C ATOM 829 NE2 HIS A 56 -21.270 -24.491 -18.326 1.00 1.97 N ATOM 0 H HIS A 56 -16.851 -26.462 -15.551 1.00 0.95 H new ATOM 0 HA HIS A 56 -18.170 -27.205 -17.944 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -17.730 -24.873 -16.412 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -17.047 -24.532 -17.989 1.00 1.22 H new ATOM 0 HD2 HIS A 56 -20.457 -24.627 -16.294 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -21.213 -24.520 -20.462 1.00 1.97 H new ATOM 0 HE2 HIS A 56 -22.257 -24.299 -18.153 1.00 1.97 H new ATOM 838 N ARG A 57 -14.963 -26.503 -18.105 1.00 0.98 N ATOM 839 CA ARG A 57 -13.781 -26.693 -18.924 1.00 1.19 C ATOM 840 C ARG A 57 -13.361 -28.155 -18.875 1.00 1.33 C ATOM 841 O ARG A 57 -13.907 -28.943 -18.104 1.00 2.17 O ATOM 842 CB ARG A 57 -12.636 -25.797 -18.444 1.00 1.33 C ATOM 843 CG ARG A 57 -12.612 -24.427 -19.106 1.00 1.79 C ATOM 844 CD ARG A 57 -11.312 -24.191 -19.860 1.00 1.88 C ATOM 845 NE ARG A 57 -11.325 -24.809 -21.184 1.00 2.28 N ATOM 846 CZ ARG A 57 -11.642 -24.170 -22.311 1.00 2.79 C ATOM 847 NH1 ARG A 57 -11.926 -22.874 -22.299 1.00 3.10 N ATOM 848 NH2 ARG A 57 -11.660 -24.828 -23.455 1.00 3.57 N ATOM 0 H ARG A 57 -14.774 -26.182 -17.155 1.00 0.98 H new ATOM 0 HA ARG A 57 -14.017 -26.417 -19.952 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -12.716 -25.668 -17.365 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -11.688 -26.300 -18.636 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -13.453 -24.340 -19.794 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -12.739 -23.654 -18.348 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -11.142 -23.119 -19.962 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -10.480 -24.592 -19.281 1.00 1.88 H new ATOM 0 HE ARG A 57 -11.075 -25.796 -21.251 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -11.903 -22.355 -21.421 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -12.167 -22.397 -23.168 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -11.432 -25.822 -23.475 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -11.902 -24.343 -24.319 1.00 3.57 H new ATOM 862 N GLU A 58 -12.381 -28.512 -19.683 1.00 1.21 N ATOM 863 CA GLU A 58 -11.903 -29.883 -19.754 1.00 1.40 C ATOM 864 C GLU A 58 -10.918 -30.156 -18.626 1.00 1.22 C ATOM 865 O GLU A 58 -9.841 -30.712 -18.853 1.00 1.68 O ATOM 866 CB GLU A 58 -11.235 -30.141 -21.107 1.00 1.88 C ATOM 867 CG GLU A 58 -11.875 -29.388 -22.265 1.00 2.68 C ATOM 868 CD GLU A 58 -11.286 -28.004 -22.472 1.00 3.16 C ATOM 869 OE1 GLU A 58 -10.718 -27.447 -21.513 1.00 3.64 O ATOM 870 OE2 GLU A 58 -11.368 -27.470 -23.600 1.00 3.53 O ATOM 0 H GLU A 58 -11.895 -27.866 -20.305 1.00 1.21 H new ATOM 0 HA GLU A 58 -12.755 -30.555 -19.648 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -10.184 -29.861 -21.041 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -11.268 -31.210 -21.319 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -11.754 -29.969 -23.180 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -12.946 -29.297 -22.084 1.00 2.68 H new ATOM 877 N TYR A 59 -11.309 -29.773 -17.410 1.00 1.26 N ATOM 878 CA TYR A 59 -10.442 -29.862 -16.240 1.00 1.40 C ATOM 879 C TYR A 59 -9.147 -29.093 -16.499 1.00 1.33 C ATOM 880 O TYR A 59 -8.103 -29.667 -16.803 1.00 1.82 O ATOM 881 CB TYR A 59 -10.179 -31.326 -15.872 1.00 1.93 C ATOM 882 CG TYR A 59 -11.391 -32.006 -15.268 1.00 2.42 C ATOM 883 CD1 TYR A 59 -12.313 -32.665 -16.070 1.00 2.85 C ATOM 884 CD2 TYR A 59 -11.607 -32.000 -13.894 1.00 2.98 C ATOM 885 CE1 TYR A 59 -13.414 -33.296 -15.526 1.00 3.50 C ATOM 886 CE2 TYR A 59 -12.708 -32.628 -13.341 1.00 3.65 C ATOM 887 CZ TYR A 59 -13.627 -33.232 -14.152 1.00 3.80 C ATOM 888 OH TYR A 59 -14.706 -33.906 -13.618 1.00 4.58 O ATOM 0 H TYR A 59 -12.235 -29.393 -17.211 1.00 1.26 H new ATOM 0 HA TYR A 59 -10.939 -29.404 -15.385 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -9.870 -31.870 -16.764 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -9.351 -31.375 -15.165 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -12.166 -32.684 -17.140 1.00 2.85 H new ATOM 0 HD2 TYR A 59 -10.903 -31.496 -13.248 1.00 2.98 H new ATOM 0 HE1 TYR A 59 -14.103 -33.834 -16.160 1.00 3.50 H new ATOM 0 HE2 TYR A 59 -12.841 -32.641 -12.269 1.00 3.65 H new ATOM 0 HH TYR A 59 -14.728 -33.772 -12.647 1.00 4.58 H new ATOM 898 N GLN A 60 -9.248 -27.777 -16.363 1.00 1.24 N ATOM 899 CA GLN A 60 -8.202 -26.854 -16.787 1.00 1.28 C ATOM 900 C GLN A 60 -6.965 -26.902 -15.895 1.00 1.38 C ATOM 901 O GLN A 60 -5.930 -26.339 -16.253 1.00 1.94 O ATOM 902 CB GLN A 60 -8.762 -25.433 -16.808 1.00 1.68 C ATOM 903 CG GLN A 60 -8.938 -24.822 -15.424 1.00 1.83 C ATOM 904 CD GLN A 60 -10.345 -24.993 -14.881 1.00 2.07 C ATOM 905 OE1 GLN A 60 -11.062 -25.916 -15.263 1.00 2.80 O ATOM 906 NE2 GLN A 60 -10.744 -24.107 -13.982 1.00 2.27 N ATOM 0 H GLN A 60 -10.061 -27.317 -15.954 1.00 1.24 H new ATOM 0 HA GLN A 60 -7.886 -27.161 -17.784 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -8.096 -24.799 -17.393 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -9.726 -25.440 -17.317 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -8.229 -25.282 -14.736 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -8.697 -23.760 -15.467 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -10.117 -23.356 -13.693 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -11.678 -24.175 -13.579 1.00 2.27 H new ATOM 915 N VAL A 61 -7.077 -27.564 -14.744 1.00 1.49 N ATOM 916 CA VAL A 61 -5.989 -27.640 -13.771 1.00 1.90 C ATOM 917 C VAL A 61 -5.642 -26.253 -13.222 1.00 2.03 C ATOM 918 O VAL A 61 -6.120 -25.866 -12.154 1.00 2.77 O ATOM 919 CB VAL A 61 -4.720 -28.303 -14.363 1.00 2.42 C ATOM 920 CG1 VAL A 61 -3.657 -28.495 -13.290 1.00 3.13 C ATOM 921 CG2 VAL A 61 -5.065 -29.636 -15.011 1.00 2.70 C ATOM 0 H VAL A 61 -7.922 -28.061 -14.461 1.00 1.49 H new ATOM 0 HA VAL A 61 -6.346 -28.268 -12.954 1.00 1.90 H new ATOM 0 HB VAL A 61 -4.318 -27.639 -15.128 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -2.776 -28.962 -13.730 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -3.383 -27.526 -12.871 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -4.050 -29.134 -12.499 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -4.161 -30.086 -15.421 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -5.496 -30.303 -14.264 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -5.786 -29.475 -15.813 1.00 2.70 H new ATOM 931 N GLU A 62 -4.835 -25.496 -13.958 1.00 1.77 N ATOM 932 CA GLU A 62 -4.396 -24.185 -13.499 1.00 2.15 C ATOM 933 C GLU A 62 -4.575 -23.122 -14.583 1.00 1.95 C ATOM 934 O GLU A 62 -4.161 -21.977 -14.408 1.00 2.59 O ATOM 935 CB GLU A 62 -2.932 -24.242 -13.054 1.00 2.85 C ATOM 936 CG GLU A 62 -2.003 -24.915 -14.057 1.00 3.27 C ATOM 937 CD GLU A 62 -0.565 -24.969 -13.577 1.00 4.00 C ATOM 938 OE1 GLU A 62 -0.203 -24.177 -12.682 1.00 4.41 O ATOM 939 OE2 GLU A 62 0.211 -25.806 -14.088 1.00 4.56 O ATOM 0 H GLU A 62 -4.473 -25.768 -14.872 1.00 1.77 H new ATOM 0 HA GLU A 62 -5.019 -23.905 -12.649 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -2.579 -23.227 -12.872 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -2.872 -24.775 -12.105 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -2.356 -25.928 -14.250 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -2.046 -24.377 -15.004 1.00 3.27 H new ATOM 946 N LEU A 63 -5.193 -23.499 -15.696 1.00 1.62 N ATOM 947 CA LEU A 63 -5.392 -22.570 -16.807 1.00 1.78 C ATOM 948 C LEU A 63 -6.876 -22.436 -17.155 1.00 1.53 C ATOM 949 O LEU A 63 -7.351 -23.024 -18.124 1.00 1.50 O ATOM 950 CB LEU A 63 -4.606 -23.041 -18.038 1.00 2.34 C ATOM 951 CG LEU A 63 -3.654 -22.008 -18.652 1.00 2.46 C ATOM 952 CD1 LEU A 63 -4.438 -20.896 -19.329 1.00 2.93 C ATOM 953 CD2 LEU A 63 -2.723 -21.442 -17.593 1.00 3.01 C ATOM 0 H LEU A 63 -5.564 -24.436 -15.855 1.00 1.62 H new ATOM 0 HA LEU A 63 -5.024 -21.592 -16.498 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -4.027 -23.923 -17.762 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -5.317 -23.353 -18.803 1.00 2.34 H new ATOM 0 HG LEU A 63 -3.047 -22.507 -19.407 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -3.746 -20.172 -19.759 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -5.059 -21.318 -20.119 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -5.073 -20.399 -18.595 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -2.055 -20.711 -18.049 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -3.311 -20.959 -16.812 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -2.134 -22.249 -17.157 1.00 3.01 H new ATOM 965 N PRO A 64 -7.630 -21.652 -16.366 1.00 1.52 N ATOM 966 CA PRO A 64 -9.067 -21.450 -16.568 1.00 1.44 C ATOM 967 C PRO A 64 -9.359 -20.477 -17.707 1.00 1.43 C ATOM 968 O PRO A 64 -10.079 -19.488 -17.536 1.00 1.89 O ATOM 969 CB PRO A 64 -9.548 -20.867 -15.228 1.00 1.66 C ATOM 970 CG PRO A 64 -8.361 -20.891 -14.319 1.00 1.91 C ATOM 971 CD PRO A 64 -7.152 -20.897 -15.206 1.00 1.79 C ATOM 0 HA PRO A 64 -9.570 -22.377 -16.845 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -9.921 -19.851 -15.356 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -10.367 -21.458 -14.817 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -8.357 -20.021 -13.662 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -8.379 -21.774 -13.680 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -6.839 -19.888 -15.476 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -6.298 -21.379 -14.729 1.00 1.79 H new ATOM 979 N LEU A 65 -8.800 -20.777 -18.868 1.00 1.22 N ATOM 980 CA LEU A 65 -8.893 -19.909 -20.029 1.00 1.24 C ATOM 981 C LEU A 65 -10.320 -19.836 -20.567 1.00 1.19 C ATOM 982 O LEU A 65 -10.973 -20.863 -20.746 1.00 1.82 O ATOM 983 CB LEU A 65 -7.947 -20.408 -21.126 1.00 1.39 C ATOM 984 CG LEU A 65 -7.811 -19.493 -22.342 1.00 1.86 C ATOM 985 CD1 LEU A 65 -6.468 -18.775 -22.320 1.00 2.46 C ATOM 986 CD2 LEU A 65 -7.978 -20.289 -23.627 1.00 2.34 C ATOM 0 H LEU A 65 -8.268 -21.632 -19.032 1.00 1.22 H new ATOM 0 HA LEU A 65 -8.603 -18.905 -19.720 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -6.959 -20.554 -20.691 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -8.294 -21.384 -21.464 1.00 1.39 H new ATOM 0 HG LEU A 65 -8.600 -18.742 -22.302 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -6.387 -18.127 -23.193 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -6.392 -18.174 -21.414 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -5.663 -19.509 -22.337 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -7.878 -19.622 -24.484 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -7.212 -21.062 -23.678 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -8.964 -20.754 -23.642 1.00 2.34 H new ATOM 998 N LYS A 66 -10.786 -18.604 -20.782 1.00 0.89 N ATOM 999 CA LYS A 66 -12.054 -18.319 -21.464 1.00 0.89 C ATOM 1000 C LYS A 66 -13.213 -19.184 -20.969 1.00 0.88 C ATOM 1001 O LYS A 66 -13.877 -19.858 -21.757 1.00 1.21 O ATOM 1002 CB LYS A 66 -11.882 -18.493 -22.973 1.00 1.03 C ATOM 1003 CG LYS A 66 -11.570 -17.195 -23.697 1.00 1.47 C ATOM 1004 CD LYS A 66 -10.075 -17.005 -23.879 1.00 1.62 C ATOM 1005 CE LYS A 66 -9.764 -15.747 -24.674 1.00 1.99 C ATOM 1006 NZ LYS A 66 -10.231 -15.848 -26.081 1.00 2.42 N ATOM 0 H LYS A 66 -10.289 -17.765 -20.484 1.00 0.89 H new ATOM 0 HA LYS A 66 -12.312 -17.286 -21.229 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -11.080 -19.207 -23.160 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -12.794 -18.922 -23.388 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -12.059 -17.194 -24.671 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -11.979 -16.356 -23.134 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -9.593 -16.948 -22.903 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -9.657 -17.872 -24.390 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -10.237 -14.890 -24.196 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -8.689 -15.566 -24.661 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -9.813 -15.078 -26.642 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -9.939 -16.764 -26.479 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -11.268 -15.773 -26.109 1.00 2.42 H new ATOM 1020 N VAL A 67 -13.453 -19.163 -19.667 1.00 0.96 N ATOM 1021 CA VAL A 67 -14.582 -19.886 -19.096 1.00 1.08 C ATOM 1022 C VAL A 67 -15.297 -19.034 -18.047 1.00 1.15 C ATOM 1023 O VAL A 67 -16.515 -19.109 -17.901 1.00 1.70 O ATOM 1024 CB VAL A 67 -14.143 -21.241 -18.484 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -13.223 -21.042 -17.286 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -15.359 -22.074 -18.096 1.00 2.11 C ATOM 0 H VAL A 67 -12.885 -18.656 -18.988 1.00 0.96 H new ATOM 0 HA VAL A 67 -15.278 -20.097 -19.908 1.00 1.08 H new ATOM 0 HB VAL A 67 -13.581 -21.781 -19.246 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -12.935 -22.013 -16.883 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -12.330 -20.500 -17.599 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -13.744 -20.470 -16.518 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -15.030 -23.021 -17.668 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -15.953 -21.531 -17.361 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -15.965 -22.267 -18.981 1.00 2.11 H new ATOM 1036 N LEU A 68 -14.527 -18.213 -17.337 1.00 1.00 N ATOM 1037 CA LEU A 68 -15.065 -17.341 -16.298 1.00 1.15 C ATOM 1038 C LEU A 68 -13.971 -16.421 -15.770 1.00 1.14 C ATOM 1039 O LEU A 68 -14.034 -15.203 -15.924 1.00 1.53 O ATOM 1040 CB LEU A 68 -15.647 -18.167 -15.146 1.00 1.35 C ATOM 1041 CG LEU A 68 -17.099 -17.850 -14.791 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -17.921 -19.126 -14.712 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -17.172 -17.085 -13.477 1.00 2.02 C ATOM 0 H LEU A 68 -13.518 -18.134 -17.465 1.00 1.00 H new ATOM 0 HA LEU A 68 -15.863 -16.740 -16.734 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -15.575 -19.224 -15.404 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -15.030 -18.012 -14.261 1.00 1.35 H new ATOM 0 HG LEU A 68 -17.516 -17.222 -15.578 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -18.952 -18.880 -14.458 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -17.896 -19.635 -15.676 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -17.505 -19.780 -13.946 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -18.213 -16.868 -13.240 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -16.737 -17.688 -12.680 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -16.618 -16.151 -13.569 1.00 2.02 H new ATOM 1055 N PHE A 69 -12.948 -17.027 -15.177 1.00 1.04 N ATOM 1056 CA PHE A 69 -11.851 -16.280 -14.564 1.00 1.16 C ATOM 1057 C PHE A 69 -11.000 -15.574 -15.616 1.00 1.15 C ATOM 1058 O PHE A 69 -10.300 -14.614 -15.318 1.00 1.87 O ATOM 1059 CB PHE A 69 -10.969 -17.218 -13.735 1.00 1.30 C ATOM 1060 CG PHE A 69 -11.734 -18.060 -12.756 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -12.378 -17.477 -11.678 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -11.810 -19.435 -12.915 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -13.085 -18.249 -10.776 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -12.514 -20.211 -12.017 1.00 1.81 C ATOM 1065 CZ PHE A 69 -13.154 -19.616 -10.946 1.00 1.60 C ATOM 0 H PHE A 69 -12.854 -18.040 -15.107 1.00 1.04 H new ATOM 0 HA PHE A 69 -12.290 -15.523 -13.914 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -10.417 -17.873 -14.409 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -10.233 -16.625 -13.193 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -12.327 -16.407 -11.541 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -11.313 -19.904 -13.751 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -13.583 -17.783 -9.939 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -12.565 -21.281 -12.151 1.00 1.81 H new ATOM 0 HZ PHE A 69 -13.708 -20.221 -10.243 1.00 1.60 H new ATOM 1075 N ALA A 70 -11.059 -16.060 -16.845 1.00 0.92 N ATOM 1076 CA ALA A 70 -10.300 -15.460 -17.932 1.00 0.94 C ATOM 1077 C ALA A 70 -11.227 -14.886 -18.994 1.00 0.91 C ATOM 1078 O ALA A 70 -10.983 -15.039 -20.191 1.00 1.09 O ATOM 1079 CB ALA A 70 -9.347 -16.479 -18.540 1.00 1.03 C ATOM 0 H ALA A 70 -11.623 -16.866 -17.115 1.00 0.92 H new ATOM 0 HA ALA A 70 -9.712 -14.638 -17.524 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -8.787 -16.014 -19.352 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -8.654 -16.830 -17.776 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -9.917 -17.323 -18.929 1.00 1.03 H new ATOM 1085 N GLN A 71 -12.304 -14.253 -18.538 1.00 1.05 N ATOM 1086 CA GLN A 71 -13.252 -13.570 -19.418 1.00 1.14 C ATOM 1087 C GLN A 71 -14.227 -12.745 -18.580 1.00 1.04 C ATOM 1088 O GLN A 71 -15.319 -13.207 -18.252 1.00 1.19 O ATOM 1089 CB GLN A 71 -14.020 -14.572 -20.290 1.00 1.43 C ATOM 1090 CG GLN A 71 -13.621 -14.528 -21.758 1.00 1.89 C ATOM 1091 CD GLN A 71 -14.807 -14.574 -22.702 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -15.412 -15.628 -22.911 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -15.138 -13.435 -23.290 1.00 3.23 N ATOM 0 H GLN A 71 -12.546 -14.198 -17.549 1.00 1.05 H new ATOM 0 HA GLN A 71 -12.693 -12.909 -20.081 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -13.853 -15.578 -19.906 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -15.088 -14.372 -20.206 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -13.051 -13.618 -21.946 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -12.961 -15.368 -21.974 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -14.611 -12.585 -23.089 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -15.920 -13.407 -23.944 1.00 3.23 H new ATOM 1102 N PRO A 72 -13.832 -11.513 -18.213 1.00 1.11 N ATOM 1103 CA PRO A 72 -14.616 -10.632 -17.338 1.00 1.26 C ATOM 1104 C PRO A 72 -15.850 -10.044 -18.031 1.00 1.21 C ATOM 1105 O PRO A 72 -15.989 -8.828 -18.156 1.00 1.62 O ATOM 1106 CB PRO A 72 -13.631 -9.510 -16.962 1.00 1.60 C ATOM 1107 CG PRO A 72 -12.299 -9.953 -17.470 1.00 1.77 C ATOM 1108 CD PRO A 72 -12.577 -10.877 -18.618 1.00 1.38 C ATOM 0 HA PRO A 72 -15.009 -11.179 -16.481 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -13.926 -8.563 -17.413 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -13.607 -9.356 -15.883 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -11.702 -9.100 -17.792 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -11.734 -10.461 -16.689 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -12.681 -10.336 -19.559 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -11.778 -11.606 -18.756 1.00 1.38 H new ATOM 1116 N THR A 73 -16.729 -10.914 -18.498 1.00 1.29 N ATOM 1117 CA THR A 73 -17.985 -10.506 -19.107 1.00 1.40 C ATOM 1118 C THR A 73 -19.049 -11.564 -18.831 1.00 1.25 C ATOM 1119 O THR A 73 -19.351 -12.394 -19.685 1.00 1.55 O ATOM 1120 CB THR A 73 -17.837 -10.298 -20.630 1.00 1.86 C ATOM 1121 OG1 THR A 73 -16.452 -10.127 -20.967 1.00 2.46 O ATOM 1122 CG2 THR A 73 -18.623 -9.080 -21.091 1.00 2.01 C ATOM 0 H THR A 73 -16.593 -11.924 -18.466 1.00 1.29 H new ATOM 0 HA THR A 73 -18.282 -9.554 -18.668 1.00 1.40 H new ATOM 0 HB THR A 73 -18.233 -11.180 -21.134 1.00 1.86 H new ATOM 0 HG1 THR A 73 -16.364 -9.997 -21.934 1.00 2.46 H new ATOM 0 HG21 THR A 73 -18.502 -8.955 -22.167 1.00 2.01 H new ATOM 0 HG22 THR A 73 -19.679 -9.219 -20.858 1.00 2.01 H new ATOM 0 HG23 THR A 73 -18.252 -8.192 -20.579 1.00 2.01 H new ATOM 1130 N ILE A 74 -19.609 -11.517 -17.628 1.00 1.12 N ATOM 1131 CA ILE A 74 -20.481 -12.578 -17.129 1.00 1.13 C ATOM 1132 C ILE A 74 -21.737 -12.753 -17.981 1.00 1.08 C ATOM 1133 O ILE A 74 -22.138 -13.881 -18.268 1.00 1.12 O ATOM 1134 CB ILE A 74 -20.872 -12.324 -15.657 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -19.608 -12.245 -14.794 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -21.801 -13.418 -15.145 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -19.868 -11.842 -13.360 1.00 2.08 C ATOM 0 H ILE A 74 -19.474 -10.747 -16.973 1.00 1.12 H new ATOM 0 HA ILE A 74 -19.910 -13.504 -17.194 1.00 1.13 H new ATOM 0 HB ILE A 74 -21.406 -11.376 -15.595 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -19.112 -13.216 -14.804 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -18.918 -11.530 -15.242 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -22.062 -13.217 -14.106 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -22.708 -13.438 -15.750 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -21.299 -14.383 -15.212 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -18.925 -11.809 -12.815 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -20.335 -10.857 -13.338 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -20.532 -12.569 -12.892 1.00 2.08 H new ATOM 1149 N LYS A 75 -22.352 -11.655 -18.400 1.00 1.07 N ATOM 1150 CA LYS A 75 -23.550 -11.749 -19.229 1.00 1.12 C ATOM 1151 C LYS A 75 -23.211 -12.356 -20.588 1.00 1.02 C ATOM 1152 O LYS A 75 -23.910 -13.251 -21.073 1.00 1.06 O ATOM 1153 CB LYS A 75 -24.212 -10.379 -19.404 1.00 1.25 C ATOM 1154 CG LYS A 75 -25.648 -10.456 -19.909 1.00 1.80 C ATOM 1155 CD LYS A 75 -26.570 -11.121 -18.895 1.00 2.44 C ATOM 1156 CE LYS A 75 -26.852 -12.573 -19.257 1.00 3.14 C ATOM 1157 NZ LYS A 75 -27.988 -12.706 -20.209 1.00 3.80 N ATOM 0 H LYS A 75 -22.050 -10.705 -18.186 1.00 1.07 H new ATOM 0 HA LYS A 75 -24.260 -12.402 -18.721 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -24.199 -9.854 -18.449 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -23.621 -9.786 -20.102 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -26.011 -9.451 -20.126 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -25.675 -11.014 -20.845 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -26.116 -11.074 -17.905 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -27.509 -10.570 -18.841 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -25.958 -13.016 -19.697 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -27.073 -13.135 -18.350 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -28.731 -13.296 -19.783 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -28.374 -11.764 -20.423 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -27.654 -13.151 -21.088 1.00 3.80 H new ATOM 1171 N ALA A 76 -22.118 -11.892 -21.180 1.00 0.97 N ATOM 1172 CA ALA A 76 -21.658 -12.418 -22.459 1.00 0.98 C ATOM 1173 C ALA A 76 -21.270 -13.886 -22.329 1.00 0.91 C ATOM 1174 O ALA A 76 -21.464 -14.670 -23.255 1.00 0.97 O ATOM 1175 CB ALA A 76 -20.486 -11.604 -22.987 1.00 1.08 C ATOM 0 H ALA A 76 -21.533 -11.151 -20.794 1.00 0.97 H new ATOM 0 HA ALA A 76 -22.479 -12.340 -23.172 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -20.159 -12.014 -23.942 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -20.795 -10.568 -23.124 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -19.663 -11.646 -22.273 1.00 1.08 H new ATOM 1181 N LEU A 77 -20.733 -14.254 -21.168 1.00 0.91 N ATOM 1182 CA LEU A 77 -20.365 -15.638 -20.888 1.00 0.97 C ATOM 1183 C LEU A 77 -21.591 -16.544 -20.928 1.00 1.04 C ATOM 1184 O LEU A 77 -21.497 -17.714 -21.307 1.00 1.11 O ATOM 1185 CB LEU A 77 -19.696 -15.746 -19.517 1.00 1.15 C ATOM 1186 CG LEU A 77 -18.195 -15.455 -19.491 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -17.700 -15.353 -18.058 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -17.427 -16.533 -20.244 1.00 1.94 C ATOM 0 H LEU A 77 -20.542 -13.608 -20.402 1.00 0.91 H new ATOM 0 HA LEU A 77 -19.663 -15.960 -21.657 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -20.194 -15.057 -18.834 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -19.860 -16.752 -19.131 1.00 1.15 H new ATOM 0 HG LEU A 77 -18.021 -14.500 -19.987 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -16.630 -15.146 -18.057 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -18.227 -14.547 -17.548 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -17.888 -16.294 -17.540 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -16.361 -16.308 -20.214 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -17.607 -17.501 -19.777 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -17.763 -16.562 -21.281 1.00 1.94 H new ATOM 1200 N ALA A 78 -22.737 -15.995 -20.544 1.00 1.13 N ATOM 1201 CA ALA A 78 -23.986 -16.743 -20.541 1.00 1.34 C ATOM 1202 C ALA A 78 -24.479 -16.988 -21.962 1.00 1.34 C ATOM 1203 O ALA A 78 -25.246 -17.912 -22.216 1.00 1.53 O ATOM 1204 CB ALA A 78 -25.039 -16.006 -19.729 1.00 1.57 C ATOM 0 H ALA A 78 -22.826 -15.029 -20.229 1.00 1.13 H new ATOM 0 HA ALA A 78 -23.803 -17.712 -20.078 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -25.968 -16.576 -19.735 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -24.691 -15.890 -18.703 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -25.214 -15.023 -20.167 1.00 1.57 H new ATOM 1210 N GLN A 79 -24.027 -16.159 -22.893 1.00 1.27 N ATOM 1211 CA GLN A 79 -24.383 -16.339 -24.297 1.00 1.42 C ATOM 1212 C GLN A 79 -23.236 -16.996 -25.057 1.00 1.44 C ATOM 1213 O GLN A 79 -23.304 -17.164 -26.276 1.00 1.79 O ATOM 1214 CB GLN A 79 -24.740 -15.000 -24.960 1.00 1.53 C ATOM 1215 CG GLN A 79 -25.018 -13.869 -23.980 1.00 1.65 C ATOM 1216 CD GLN A 79 -26.495 -13.708 -23.676 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -26.939 -13.944 -22.555 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -27.265 -13.301 -24.674 1.00 2.74 N ATOM 0 H GLN A 79 -23.419 -15.362 -22.706 1.00 1.27 H new ATOM 0 HA GLN A 79 -25.259 -16.986 -24.334 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -23.922 -14.703 -25.616 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -25.618 -15.143 -25.590 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -24.479 -14.057 -23.052 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -24.632 -12.936 -24.390 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -26.857 -13.116 -25.590 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -28.266 -13.173 -24.526 1.00 2.74 H new ATOM 1227 N TYR A 80 -22.191 -17.384 -24.335 1.00 1.23 N ATOM 1228 CA TYR A 80 -20.985 -17.914 -24.964 1.00 1.38 C ATOM 1229 C TYR A 80 -20.697 -19.342 -24.506 1.00 1.39 C ATOM 1230 O TYR A 80 -20.930 -20.300 -25.243 1.00 1.59 O ATOM 1231 CB TYR A 80 -19.781 -17.024 -24.637 1.00 1.43 C ATOM 1232 CG TYR A 80 -19.544 -15.903 -25.627 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -20.385 -15.711 -26.717 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -18.475 -15.030 -25.464 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -20.166 -14.683 -27.615 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -18.250 -14.001 -26.357 1.00 2.18 C ATOM 1237 CZ TYR A 80 -19.098 -13.831 -27.431 1.00 2.42 C ATOM 1238 OH TYR A 80 -18.877 -12.805 -28.321 1.00 2.85 O ATOM 0 H TYR A 80 -22.153 -17.342 -23.317 1.00 1.23 H new ATOM 0 HA TYR A 80 -21.154 -17.924 -26.041 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -19.922 -16.593 -23.646 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -18.887 -17.646 -24.590 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -21.223 -16.376 -26.865 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -17.808 -15.159 -24.624 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -20.829 -14.548 -28.457 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -17.414 -13.332 -26.215 1.00 2.18 H new ATOM 0 HH TYR A 80 -18.085 -12.298 -28.046 1.00 2.85 H new ATOM 1248 N VAL A 81 -20.186 -19.471 -23.287 1.00 1.29 N ATOM 1249 CA VAL A 81 -19.748 -20.759 -22.764 1.00 1.39 C ATOM 1250 C VAL A 81 -20.828 -21.403 -21.900 1.00 1.35 C ATOM 1251 O VAL A 81 -21.131 -22.585 -22.044 1.00 1.49 O ATOM 1252 CB VAL A 81 -18.456 -20.617 -21.925 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -17.720 -21.945 -21.844 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -17.548 -19.538 -22.498 1.00 1.72 C ATOM 0 H VAL A 81 -20.064 -18.693 -22.639 1.00 1.29 H new ATOM 0 HA VAL A 81 -19.549 -21.395 -23.626 1.00 1.39 H new ATOM 0 HB VAL A 81 -18.742 -20.318 -20.916 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -16.814 -21.823 -21.250 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -18.364 -22.690 -21.376 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -17.453 -22.275 -22.848 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -16.647 -19.459 -21.889 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -17.273 -19.799 -23.520 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -18.072 -18.582 -22.496 1.00 1.72 H new ATOM 1264 N ALA A 82 -21.411 -20.619 -21.005 1.00 1.42 N ATOM 1265 CA ALA A 82 -22.431 -21.126 -20.098 1.00 1.52 C ATOM 1266 C ALA A 82 -23.819 -20.760 -20.606 1.00 1.59 C ATOM 1267 O ALA A 82 -24.530 -19.968 -19.992 1.00 1.90 O ATOM 1268 CB ALA A 82 -22.207 -20.579 -18.695 1.00 1.66 C ATOM 0 H ALA A 82 -21.195 -19.629 -20.887 1.00 1.42 H new ATOM 0 HA ALA A 82 -22.358 -22.213 -20.058 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -22.976 -20.966 -18.027 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -21.225 -20.889 -18.336 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -22.259 -19.490 -18.716 1.00 1.66 H new ATOM 1274 N THR A 83 -24.198 -21.349 -21.730 1.00 1.64 N ATOM 1275 CA THR A 83 -25.459 -21.015 -22.374 1.00 1.83 C ATOM 1276 C THR A 83 -26.461 -22.159 -22.250 1.00 2.01 C ATOM 1277 O THR A 83 -27.664 -21.946 -22.404 1.00 2.41 O ATOM 1278 CB THR A 83 -25.245 -20.663 -23.870 1.00 2.14 C ATOM 1279 OG1 THR A 83 -26.495 -20.659 -24.576 1.00 2.59 O ATOM 1280 CG2 THR A 83 -24.290 -21.648 -24.533 1.00 2.65 C ATOM 0 H THR A 83 -23.651 -22.060 -22.215 1.00 1.64 H new ATOM 0 HA THR A 83 -25.863 -20.141 -21.863 1.00 1.83 H new ATOM 0 HB THR A 83 -24.807 -19.666 -23.913 1.00 2.14 H new ATOM 0 HG1 THR A 83 -26.339 -20.433 -25.517 1.00 2.59 H new ATOM 0 HG21 THR A 83 -24.158 -21.378 -25.581 1.00 2.65 H new ATOM 0 HG22 THR A 83 -23.326 -21.617 -24.026 1.00 2.65 H new ATOM 0 HG23 THR A 83 -24.702 -22.655 -24.467 1.00 2.65 H new