USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 671 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 71 GLN : amide:sc= 1.04 K(o=2.4,f=-1.4!) USER MOD Set 1.2: A 73 THR OG1 : rot 86:sc= 1.32 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0407 (180deg=-0.189) USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00302 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.148 USER MOD Single : A 13 ASN : amide:sc= -0.0391 X(o=-0.039,f=-0.023) USER MOD Single : A 17 SER OG : rot -160:sc= -0.609 USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.17) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -1.59 K(o=-1.6,f=-3.2!) USER MOD Single : A 40 GLN : amide:sc= 0.086 K(o=0.086,f=-1.1) USER MOD Single : A 44 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=-0.031) USER MOD Single : A 45 SER OG : rot 148:sc= 1.1 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0.759 K(o=0.76,f=-3.1!) USER MOD Single : A 56 HIS : no HD1:sc= -0.203 X(o=-0.2,f=0.027) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0.323 K(o=0.32,f=-6.4!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -90:sc= 1.23 USER MOD Single : A 85 SER OG : rot 180:sc= -0.154 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.506 -9.643 -9.282 1.00 6.70 N ATOM 2 CA MET A 1 -3.367 -10.779 -9.676 1.00 6.30 C ATOM 3 C MET A 1 -4.469 -11.009 -8.643 1.00 5.83 C ATOM 4 O MET A 1 -5.527 -11.545 -8.964 1.00 6.14 O ATOM 5 CB MET A 1 -2.522 -12.055 -9.862 1.00 6.81 C ATOM 6 CG MET A 1 -2.531 -13.002 -8.668 1.00 7.17 C ATOM 7 SD MET A 1 -3.405 -14.544 -9.005 1.00 7.86 S ATOM 8 CE MET A 1 -3.754 -15.101 -7.338 1.00 8.54 C ATOM 0 H1 MET A 1 -1.898 -9.374 -10.082 1.00 6.70 H new ATOM 0 H2 MET A 1 -3.101 -8.834 -9.012 1.00 6.70 H new ATOM 0 H3 MET A 1 -1.912 -9.921 -8.475 1.00 6.70 H new ATOM 0 HA MET A 1 -3.840 -10.536 -10.627 1.00 6.30 H new ATOM 0 HB2 MET A 1 -2.887 -12.592 -10.738 1.00 6.81 H new ATOM 0 HB3 MET A 1 -1.492 -11.766 -10.072 1.00 6.81 H new ATOM 0 HG2 MET A 1 -1.504 -13.227 -8.381 1.00 7.17 H new ATOM 0 HG3 MET A 1 -2.997 -12.504 -7.818 1.00 7.17 H new ATOM 0 HE1 MET A 1 -4.294 -16.047 -7.376 1.00 8.54 H new ATOM 0 HE2 MET A 1 -2.818 -15.238 -6.797 1.00 8.54 H new ATOM 0 HE3 MET A 1 -4.363 -14.356 -6.826 1.00 8.54 H new ATOM 20 N GLY A 2 -4.223 -10.603 -7.401 1.00 5.41 N ATOM 21 CA GLY A 2 -5.222 -10.779 -6.367 1.00 5.21 C ATOM 22 C GLY A 2 -4.816 -10.138 -5.058 1.00 4.76 C ATOM 23 O GLY A 2 -5.049 -10.700 -3.991 1.00 5.03 O ATOM 0 H GLY A 2 -3.357 -10.159 -7.096 1.00 5.41 H new ATOM 0 HA2 GLY A 2 -6.166 -10.350 -6.701 1.00 5.21 H new ATOM 0 HA3 GLY A 2 -5.394 -11.844 -6.209 1.00 5.21 H new ATOM 27 N VAL A 3 -4.188 -8.968 -5.141 1.00 4.46 N ATOM 28 CA VAL A 3 -3.747 -8.247 -3.948 1.00 4.34 C ATOM 29 C VAL A 3 -3.700 -6.747 -4.214 1.00 3.47 C ATOM 30 O VAL A 3 -2.790 -6.053 -3.763 1.00 3.74 O ATOM 31 CB VAL A 3 -2.352 -8.709 -3.456 1.00 5.24 C ATOM 32 CG1 VAL A 3 -2.484 -9.687 -2.299 1.00 6.05 C ATOM 33 CG2 VAL A 3 -1.540 -9.321 -4.591 1.00 5.84 C ATOM 0 H VAL A 3 -3.973 -8.499 -6.021 1.00 4.46 H new ATOM 0 HA VAL A 3 -4.476 -8.470 -3.169 1.00 4.34 H new ATOM 0 HB VAL A 3 -1.817 -7.829 -3.101 1.00 5.24 H new ATOM 0 HG11 VAL A 3 -1.492 -9.998 -1.970 1.00 6.05 H new ATOM 0 HG12 VAL A 3 -3.006 -9.205 -1.472 1.00 6.05 H new ATOM 0 HG13 VAL A 3 -3.049 -10.561 -2.624 1.00 6.05 H new ATOM 0 HG21 VAL A 3 -0.567 -9.635 -4.214 1.00 5.84 H new ATOM 0 HG22 VAL A 3 -2.070 -10.185 -4.993 1.00 5.84 H new ATOM 0 HG23 VAL A 3 -1.402 -8.581 -5.380 1.00 5.84 H new ATOM 43 N THR A 4 -4.678 -6.257 -4.958 1.00 2.94 N ATOM 44 CA THR A 4 -4.748 -4.845 -5.299 1.00 2.60 C ATOM 45 C THR A 4 -6.196 -4.371 -5.319 1.00 2.42 C ATOM 46 O THR A 4 -7.060 -5.020 -5.912 1.00 3.09 O ATOM 47 CB THR A 4 -4.107 -4.571 -6.674 1.00 2.97 C ATOM 48 OG1 THR A 4 -2.834 -5.232 -6.764 1.00 3.36 O ATOM 49 CG2 THR A 4 -3.931 -3.077 -6.906 1.00 3.59 C ATOM 0 H THR A 4 -5.439 -6.820 -5.339 1.00 2.94 H new ATOM 0 HA THR A 4 -4.195 -4.297 -4.536 1.00 2.60 H new ATOM 0 HB THR A 4 -4.773 -4.962 -7.443 1.00 2.97 H new ATOM 0 HG1 THR A 4 -2.434 -5.054 -7.641 1.00 3.36 H new ATOM 0 HG21 THR A 4 -3.477 -2.912 -7.883 1.00 3.59 H new ATOM 0 HG22 THR A 4 -4.904 -2.586 -6.870 1.00 3.59 H new ATOM 0 HG23 THR A 4 -3.286 -2.662 -6.131 1.00 3.59 H new ATOM 57 N GLU A 5 -6.459 -3.254 -4.660 1.00 2.01 N ATOM 58 CA GLU A 5 -7.792 -2.679 -4.642 1.00 1.95 C ATOM 59 C GLU A 5 -7.983 -1.742 -5.831 1.00 2.02 C ATOM 60 O GLU A 5 -7.085 -0.979 -6.187 1.00 2.45 O ATOM 61 CB GLU A 5 -8.027 -1.922 -3.337 1.00 2.25 C ATOM 62 CG GLU A 5 -9.068 -2.566 -2.441 1.00 2.50 C ATOM 63 CD GLU A 5 -8.484 -3.620 -1.527 1.00 3.01 C ATOM 64 OE1 GLU A 5 -7.665 -3.267 -0.654 1.00 3.44 O ATOM 65 OE2 GLU A 5 -8.857 -4.805 -1.661 1.00 3.47 O ATOM 0 H GLU A 5 -5.765 -2.727 -4.130 1.00 2.01 H new ATOM 0 HA GLU A 5 -8.517 -3.489 -4.714 1.00 1.95 H new ATOM 0 HB2 GLU A 5 -7.085 -1.851 -2.793 1.00 2.25 H new ATOM 0 HB3 GLU A 5 -8.339 -0.904 -3.568 1.00 2.25 H new ATOM 0 HG2 GLU A 5 -9.549 -1.795 -1.839 1.00 2.50 H new ATOM 0 HG3 GLU A 5 -9.844 -3.017 -3.059 1.00 2.50 H new ATOM 72 N ALA A 6 -9.155 -1.808 -6.439 1.00 1.93 N ATOM 73 CA ALA A 6 -9.473 -0.979 -7.587 1.00 2.21 C ATOM 74 C ALA A 6 -10.874 -0.406 -7.446 1.00 1.87 C ATOM 75 O ALA A 6 -11.853 -1.151 -7.411 1.00 2.34 O ATOM 76 CB ALA A 6 -9.357 -1.789 -8.869 1.00 3.01 C ATOM 0 H ALA A 6 -9.908 -2.434 -6.153 1.00 1.93 H new ATOM 0 HA ALA A 6 -8.762 -0.154 -7.633 1.00 2.21 H new ATOM 0 HB1 ALA A 6 -9.598 -1.156 -9.723 1.00 3.01 H new ATOM 0 HB2 ALA A 6 -8.339 -2.164 -8.972 1.00 3.01 H new ATOM 0 HB3 ALA A 6 -10.051 -2.629 -8.833 1.00 3.01 H new ATOM 82 N GLN A 7 -10.968 0.916 -7.389 1.00 1.57 N ATOM 83 CA GLN A 7 -12.244 1.587 -7.168 1.00 1.65 C ATOM 84 C GLN A 7 -13.050 1.694 -8.460 1.00 1.53 C ATOM 85 O GLN A 7 -13.916 2.554 -8.592 1.00 1.80 O ATOM 86 CB GLN A 7 -12.015 2.978 -6.576 1.00 2.14 C ATOM 87 CG GLN A 7 -11.761 2.959 -5.078 1.00 2.64 C ATOM 88 CD GLN A 7 -10.711 3.964 -4.649 1.00 3.04 C ATOM 89 OE1 GLN A 7 -9.740 3.620 -3.973 1.00 3.51 O ATOM 90 NE2 GLN A 7 -10.896 5.216 -5.038 1.00 3.49 N ATOM 0 H GLN A 7 -10.174 1.547 -7.493 1.00 1.57 H new ATOM 0 HA GLN A 7 -12.818 0.986 -6.462 1.00 1.65 H new ATOM 0 HB2 GLN A 7 -11.165 3.443 -7.076 1.00 2.14 H new ATOM 0 HB3 GLN A 7 -12.885 3.601 -6.782 1.00 2.14 H new ATOM 0 HG2 GLN A 7 -12.693 3.168 -4.553 1.00 2.64 H new ATOM 0 HG3 GLN A 7 -11.444 1.959 -4.780 1.00 2.64 H new ATOM 0 HE21 GLN A 7 -11.713 5.461 -5.597 1.00 3.49 H new ATOM 0 HE22 GLN A 7 -10.221 5.936 -4.779 1.00 3.49 H new ATOM 99 N TYR A 8 -12.751 0.819 -9.412 1.00 1.48 N ATOM 100 CA TYR A 8 -13.522 0.735 -10.640 1.00 1.47 C ATOM 101 C TYR A 8 -14.926 0.246 -10.313 1.00 1.56 C ATOM 102 O TYR A 8 -15.904 0.934 -10.602 1.00 2.27 O ATOM 103 CB TYR A 8 -12.833 -0.217 -11.626 1.00 1.61 C ATOM 104 CG TYR A 8 -13.618 -0.497 -12.894 1.00 1.62 C ATOM 105 CD1 TYR A 8 -13.635 0.415 -13.940 1.00 1.71 C ATOM 106 CD2 TYR A 8 -14.329 -1.682 -13.048 1.00 1.79 C ATOM 107 CE1 TYR A 8 -14.340 0.158 -15.101 1.00 1.89 C ATOM 108 CE2 TYR A 8 -15.036 -1.948 -14.204 1.00 2.00 C ATOM 109 CZ TYR A 8 -15.037 -1.026 -15.229 1.00 2.01 C ATOM 110 OH TYR A 8 -15.740 -1.291 -16.383 1.00 2.32 O ATOM 0 H TYR A 8 -11.977 0.157 -9.354 1.00 1.48 H new ATOM 0 HA TYR A 8 -13.586 1.719 -11.105 1.00 1.47 H new ATOM 0 HB2 TYR A 8 -11.866 0.204 -11.900 1.00 1.61 H new ATOM 0 HB3 TYR A 8 -12.638 -1.163 -11.120 1.00 1.61 H new ATOM 0 HD1 TYR A 8 -13.088 1.341 -13.845 1.00 1.71 H new ATOM 0 HD2 TYR A 8 -14.328 -2.408 -12.248 1.00 1.79 H new ATOM 0 HE1 TYR A 8 -14.345 0.880 -15.904 1.00 1.89 H new ATOM 0 HE2 TYR A 8 -15.585 -2.873 -14.305 1.00 2.00 H new ATOM 0 HH TYR A 8 -16.172 -2.167 -16.309 1.00 2.32 H new ATOM 120 N VAL A 9 -14.978 -0.931 -9.665 1.00 1.35 N ATOM 121 CA VAL A 9 -16.219 -1.602 -9.239 1.00 1.47 C ATOM 122 C VAL A 9 -17.456 -1.148 -10.034 1.00 1.51 C ATOM 123 O VAL A 9 -18.383 -0.522 -9.512 1.00 2.13 O ATOM 124 CB VAL A 9 -16.435 -1.447 -7.706 1.00 1.74 C ATOM 125 CG1 VAL A 9 -16.561 0.015 -7.294 1.00 2.00 C ATOM 126 CG2 VAL A 9 -17.639 -2.256 -7.237 1.00 2.05 C ATOM 0 H VAL A 9 -14.138 -1.455 -9.417 1.00 1.35 H new ATOM 0 HA VAL A 9 -16.094 -2.661 -9.463 1.00 1.47 H new ATOM 0 HB VAL A 9 -15.548 -1.845 -7.213 1.00 1.74 H new ATOM 0 HG11 VAL A 9 -16.711 0.078 -6.216 1.00 2.00 H new ATOM 0 HG12 VAL A 9 -15.651 0.549 -7.566 1.00 2.00 H new ATOM 0 HG13 VAL A 9 -17.412 0.465 -7.805 1.00 2.00 H new ATOM 0 HG21 VAL A 9 -17.766 -2.129 -6.162 1.00 2.05 H new ATOM 0 HG22 VAL A 9 -18.534 -1.908 -7.752 1.00 2.05 H new ATOM 0 HG23 VAL A 9 -17.479 -3.311 -7.461 1.00 2.05 H new ATOM 136 N ALA A 10 -17.458 -1.466 -11.319 1.00 1.41 N ATOM 137 CA ALA A 10 -18.561 -1.097 -12.187 1.00 1.50 C ATOM 138 C ALA A 10 -19.023 -2.285 -13.016 1.00 1.34 C ATOM 139 O ALA A 10 -18.695 -2.391 -14.197 1.00 1.73 O ATOM 140 CB ALA A 10 -18.161 0.059 -13.090 1.00 2.09 C ATOM 0 H ALA A 10 -16.708 -1.979 -11.782 1.00 1.41 H new ATOM 0 HA ALA A 10 -19.394 -0.778 -11.560 1.00 1.50 H new ATOM 0 HB1 ALA A 10 -18.999 0.324 -13.735 1.00 2.09 H new ATOM 0 HB2 ALA A 10 -17.887 0.919 -12.480 1.00 2.09 H new ATOM 0 HB3 ALA A 10 -17.310 -0.236 -13.704 1.00 2.09 H new ATOM 146 N PRO A 11 -19.766 -3.216 -12.401 1.00 1.24 N ATOM 147 CA PRO A 11 -20.371 -4.334 -13.122 1.00 1.52 C ATOM 148 C PRO A 11 -21.419 -3.830 -14.105 1.00 1.50 C ATOM 149 O PRO A 11 -22.432 -3.253 -13.702 1.00 1.83 O ATOM 150 CB PRO A 11 -21.021 -5.178 -12.022 1.00 1.87 C ATOM 151 CG PRO A 11 -20.400 -4.710 -10.750 1.00 1.88 C ATOM 152 CD PRO A 11 -20.079 -3.262 -10.966 1.00 1.45 C ATOM 0 HA PRO A 11 -19.647 -4.899 -13.709 1.00 1.52 H new ATOM 0 HB2 PRO A 11 -22.102 -5.039 -12.007 1.00 1.87 H new ATOM 0 HB3 PRO A 11 -20.838 -6.241 -12.182 1.00 1.87 H new ATOM 0 HG2 PRO A 11 -21.083 -4.839 -9.910 1.00 1.88 H new ATOM 0 HG3 PRO A 11 -19.500 -5.281 -10.520 1.00 1.88 H new ATOM 0 HD2 PRO A 11 -20.921 -2.618 -10.714 1.00 1.45 H new ATOM 0 HD3 PRO A 11 -19.236 -2.938 -10.356 1.00 1.45 H new ATOM 160 N THR A 12 -21.167 -4.037 -15.384 1.00 1.33 N ATOM 161 CA THR A 12 -21.994 -3.458 -16.427 1.00 1.44 C ATOM 162 C THR A 12 -23.386 -4.085 -16.466 1.00 1.40 C ATOM 163 O THR A 12 -24.373 -3.404 -16.752 1.00 1.90 O ATOM 164 CB THR A 12 -21.315 -3.597 -17.798 1.00 1.69 C ATOM 165 OG1 THR A 12 -20.152 -4.430 -17.682 1.00 1.79 O ATOM 166 CG2 THR A 12 -20.912 -2.235 -18.336 1.00 2.04 C ATOM 0 H THR A 12 -20.392 -4.605 -15.727 1.00 1.33 H new ATOM 0 HA THR A 12 -22.112 -2.400 -16.193 1.00 1.44 H new ATOM 0 HB THR A 12 -22.024 -4.052 -18.490 1.00 1.69 H new ATOM 0 HG1 THR A 12 -19.723 -4.517 -18.559 1.00 1.79 H new ATOM 0 HG21 THR A 12 -20.433 -2.355 -19.308 1.00 2.04 H new ATOM 0 HG22 THR A 12 -21.798 -1.609 -18.443 1.00 2.04 H new ATOM 0 HG23 THR A 12 -20.215 -1.762 -17.644 1.00 2.04 H new ATOM 174 N ASN A 13 -23.469 -5.375 -16.171 1.00 1.11 N ATOM 175 CA ASN A 13 -24.753 -6.061 -16.155 1.00 1.23 C ATOM 176 C ASN A 13 -25.170 -6.404 -14.731 1.00 1.03 C ATOM 177 O ASN A 13 -24.324 -6.621 -13.862 1.00 1.32 O ATOM 178 CB ASN A 13 -24.697 -7.327 -17.006 1.00 1.71 C ATOM 179 CG ASN A 13 -25.925 -7.480 -17.880 1.00 1.80 C ATOM 180 OD1 ASN A 13 -27.003 -7.831 -17.399 1.00 2.19 O ATOM 181 ND2 ASN A 13 -25.773 -7.217 -19.169 1.00 2.24 N ATOM 0 H ASN A 13 -22.669 -5.964 -15.941 1.00 1.11 H new ATOM 0 HA ASN A 13 -25.498 -5.387 -16.578 1.00 1.23 H new ATOM 0 HB2 ASN A 13 -23.806 -7.302 -17.634 1.00 1.71 H new ATOM 0 HB3 ASN A 13 -24.605 -8.197 -16.356 1.00 1.71 H new ATOM 0 HD21 ASN A 13 -26.567 -7.302 -19.804 1.00 2.24 H new ATOM 0 HD22 ASN A 13 -24.862 -6.929 -19.527 1.00 2.24 H new ATOM 188 N ALA A 14 -26.481 -6.457 -14.505 1.00 1.04 N ATOM 189 CA ALA A 14 -27.042 -6.721 -13.180 1.00 1.05 C ATOM 190 C ALA A 14 -26.557 -8.051 -12.608 1.00 0.96 C ATOM 191 O ALA A 14 -26.346 -8.180 -11.400 1.00 0.91 O ATOM 192 CB ALA A 14 -28.562 -6.700 -13.242 1.00 1.42 C ATOM 0 H ALA A 14 -27.183 -6.319 -15.232 1.00 1.04 H new ATOM 0 HA ALA A 14 -26.695 -5.932 -12.513 1.00 1.05 H new ATOM 0 HB1 ALA A 14 -28.969 -6.898 -12.250 1.00 1.42 H new ATOM 0 HB2 ALA A 14 -28.899 -5.721 -13.584 1.00 1.42 H new ATOM 0 HB3 ALA A 14 -28.908 -7.466 -13.936 1.00 1.42 H new ATOM 198 N VAL A 15 -26.376 -9.031 -13.481 1.00 1.05 N ATOM 199 CA VAL A 15 -25.917 -10.352 -13.070 1.00 1.12 C ATOM 200 C VAL A 15 -24.521 -10.271 -12.453 1.00 0.97 C ATOM 201 O VAL A 15 -24.211 -10.966 -11.480 1.00 0.96 O ATOM 202 CB VAL A 15 -25.886 -11.336 -14.260 1.00 1.38 C ATOM 203 CG1 VAL A 15 -26.024 -12.768 -13.773 1.00 1.45 C ATOM 204 CG2 VAL A 15 -26.979 -11.005 -15.270 1.00 1.99 C ATOM 0 H VAL A 15 -26.541 -8.937 -14.483 1.00 1.05 H new ATOM 0 HA VAL A 15 -26.625 -10.721 -12.328 1.00 1.12 H new ATOM 0 HB VAL A 15 -24.922 -11.233 -14.759 1.00 1.38 H new ATOM 0 HG11 VAL A 15 -26.000 -13.446 -14.626 1.00 1.45 H new ATOM 0 HG12 VAL A 15 -25.201 -13.004 -13.098 1.00 1.45 H new ATOM 0 HG13 VAL A 15 -26.970 -12.883 -13.245 1.00 1.45 H new ATOM 0 HG21 VAL A 15 -26.936 -11.712 -16.098 1.00 1.99 H new ATOM 0 HG22 VAL A 15 -27.954 -11.072 -14.786 1.00 1.99 H new ATOM 0 HG23 VAL A 15 -26.830 -9.994 -15.649 1.00 1.99 H new ATOM 214 N GLU A 16 -23.700 -9.392 -13.006 1.00 0.95 N ATOM 215 CA GLU A 16 -22.319 -9.261 -12.577 1.00 0.94 C ATOM 216 C GLU A 16 -22.218 -8.444 -11.294 1.00 0.83 C ATOM 217 O GLU A 16 -21.249 -8.570 -10.548 1.00 0.86 O ATOM 218 CB GLU A 16 -21.480 -8.616 -13.678 1.00 1.06 C ATOM 219 CG GLU A 16 -21.360 -9.479 -14.923 1.00 1.37 C ATOM 220 CD GLU A 16 -21.345 -8.672 -16.204 1.00 1.45 C ATOM 221 OE1 GLU A 16 -21.478 -7.434 -16.130 1.00 1.53 O ATOM 222 OE2 GLU A 16 -21.200 -9.273 -17.288 1.00 1.93 O ATOM 0 H GLU A 16 -23.969 -8.756 -13.757 1.00 0.95 H new ATOM 0 HA GLU A 16 -21.933 -10.260 -12.376 1.00 0.94 H new ATOM 0 HB2 GLU A 16 -21.923 -7.658 -13.949 1.00 1.06 H new ATOM 0 HB3 GLU A 16 -20.483 -8.408 -13.291 1.00 1.06 H new ATOM 0 HG2 GLU A 16 -20.446 -10.070 -14.862 1.00 1.37 H new ATOM 0 HG3 GLU A 16 -22.193 -10.182 -14.953 1.00 1.37 H new ATOM 229 N SER A 17 -23.220 -7.610 -11.036 1.00 0.83 N ATOM 230 CA SER A 17 -23.233 -6.800 -9.825 1.00 0.89 C ATOM 231 C SER A 17 -23.485 -7.675 -8.603 1.00 0.85 C ATOM 232 O SER A 17 -22.791 -7.563 -7.591 1.00 0.88 O ATOM 233 CB SER A 17 -24.299 -5.707 -9.928 1.00 1.09 C ATOM 234 OG SER A 17 -24.824 -5.632 -11.242 1.00 1.48 O ATOM 0 H SER A 17 -24.028 -7.478 -11.645 1.00 0.83 H new ATOM 0 HA SER A 17 -22.258 -6.325 -9.715 1.00 0.89 H new ATOM 0 HB2 SER A 17 -25.104 -5.911 -9.222 1.00 1.09 H new ATOM 0 HB3 SER A 17 -23.867 -4.746 -9.650 1.00 1.09 H new ATOM 0 HG SER A 17 -25.248 -4.759 -11.376 1.00 1.48 H new ATOM 240 N LYS A 18 -24.463 -8.569 -8.713 1.00 0.85 N ATOM 241 CA LYS A 18 -24.795 -9.479 -7.622 1.00 0.92 C ATOM 242 C LYS A 18 -23.626 -10.414 -7.326 1.00 0.84 C ATOM 243 O LYS A 18 -23.336 -10.726 -6.167 1.00 0.85 O ATOM 244 CB LYS A 18 -26.038 -10.298 -7.967 1.00 1.07 C ATOM 245 CG LYS A 18 -27.319 -9.724 -7.388 1.00 1.38 C ATOM 246 CD LYS A 18 -27.335 -9.813 -5.871 1.00 1.76 C ATOM 247 CE LYS A 18 -28.399 -8.906 -5.272 1.00 2.42 C ATOM 248 NZ LYS A 18 -28.099 -8.555 -3.858 1.00 2.96 N ATOM 0 H LYS A 18 -25.039 -8.683 -9.547 1.00 0.85 H new ATOM 0 HA LYS A 18 -25.000 -8.881 -6.734 1.00 0.92 H new ATOM 0 HB2 LYS A 18 -26.134 -10.360 -9.051 1.00 1.07 H new ATOM 0 HB3 LYS A 18 -25.907 -11.316 -7.600 1.00 1.07 H new ATOM 0 HG2 LYS A 18 -27.423 -8.683 -7.693 1.00 1.38 H new ATOM 0 HG3 LYS A 18 -28.176 -10.262 -7.794 1.00 1.38 H new ATOM 0 HD2 LYS A 18 -27.521 -10.843 -5.568 1.00 1.76 H new ATOM 0 HD3 LYS A 18 -26.356 -9.536 -5.479 1.00 1.76 H new ATOM 0 HE2 LYS A 18 -28.473 -7.994 -5.864 1.00 2.42 H new ATOM 0 HE3 LYS A 18 -29.369 -9.400 -5.325 1.00 2.42 H new ATOM 0 HZ1 LYS A 18 -28.857 -7.950 -3.482 1.00 2.96 H new ATOM 0 HZ2 LYS A 18 -28.036 -9.424 -3.290 1.00 2.96 H new ATOM 0 HZ3 LYS A 18 -27.194 -8.045 -3.811 1.00 2.96 H new ATOM 262 N LEU A 19 -22.959 -10.860 -8.383 1.00 0.82 N ATOM 263 CA LEU A 19 -21.786 -11.706 -8.234 1.00 0.84 C ATOM 264 C LEU A 19 -20.678 -10.943 -7.516 1.00 0.80 C ATOM 265 O LEU A 19 -20.085 -11.442 -6.561 1.00 0.82 O ATOM 266 CB LEU A 19 -21.298 -12.189 -9.604 1.00 0.96 C ATOM 267 CG LEU A 19 -21.338 -13.705 -9.814 1.00 1.16 C ATOM 268 CD1 LEU A 19 -22.610 -14.295 -9.221 1.00 1.73 C ATOM 269 CD2 LEU A 19 -21.233 -14.038 -11.295 1.00 1.81 C ATOM 0 H LEU A 19 -23.211 -10.650 -9.349 1.00 0.82 H new ATOM 0 HA LEU A 19 -22.057 -12.577 -7.637 1.00 0.84 H new ATOM 0 HB2 LEU A 19 -21.905 -11.715 -10.376 1.00 0.96 H new ATOM 0 HB3 LEU A 19 -20.274 -11.845 -9.749 1.00 0.96 H new ATOM 0 HG LEU A 19 -20.485 -14.147 -9.299 1.00 1.16 H new ATOM 0 HD11 LEU A 19 -22.620 -15.373 -9.380 1.00 1.73 H new ATOM 0 HD12 LEU A 19 -22.644 -14.086 -8.152 1.00 1.73 H new ATOM 0 HD13 LEU A 19 -23.478 -13.849 -9.706 1.00 1.73 H new ATOM 0 HD21 LEU A 19 -21.263 -15.119 -11.428 1.00 1.81 H new ATOM 0 HD22 LEU A 19 -22.067 -13.584 -11.830 1.00 1.81 H new ATOM 0 HD23 LEU A 19 -20.294 -13.650 -11.690 1.00 1.81 H new ATOM 281 N ALA A 20 -20.437 -9.715 -7.963 1.00 0.82 N ATOM 282 CA ALA A 20 -19.415 -8.863 -7.371 1.00 0.91 C ATOM 283 C ALA A 20 -19.682 -8.636 -5.890 1.00 0.84 C ATOM 284 O ALA A 20 -18.752 -8.551 -5.097 1.00 0.87 O ATOM 285 CB ALA A 20 -19.340 -7.531 -8.104 1.00 1.08 C ATOM 0 H ALA A 20 -20.941 -9.286 -8.739 1.00 0.82 H new ATOM 0 HA ALA A 20 -18.456 -9.372 -7.470 1.00 0.91 H new ATOM 0 HB1 ALA A 20 -18.571 -6.907 -7.648 1.00 1.08 H new ATOM 0 HB2 ALA A 20 -19.092 -7.705 -9.151 1.00 1.08 H new ATOM 0 HB3 ALA A 20 -20.303 -7.025 -8.039 1.00 1.08 H new ATOM 291 N GLU A 21 -20.956 -8.545 -5.525 1.00 0.85 N ATOM 292 CA GLU A 21 -21.350 -8.365 -4.132 1.00 0.94 C ATOM 293 C GLU A 21 -20.779 -9.476 -3.258 1.00 0.84 C ATOM 294 O GLU A 21 -20.089 -9.214 -2.272 1.00 0.85 O ATOM 295 CB GLU A 21 -22.872 -8.341 -4.005 1.00 1.13 C ATOM 296 CG GLU A 21 -23.502 -7.047 -4.490 1.00 1.72 C ATOM 297 CD GLU A 21 -24.971 -6.939 -4.135 1.00 2.05 C ATOM 298 OE1 GLU A 21 -25.551 -7.933 -3.649 1.00 2.14 O ATOM 299 OE2 GLU A 21 -25.552 -5.854 -4.341 1.00 2.69 O ATOM 0 H GLU A 21 -21.738 -8.593 -6.178 1.00 0.85 H new ATOM 0 HA GLU A 21 -20.949 -7.411 -3.791 1.00 0.94 H new ATOM 0 HB2 GLU A 21 -23.289 -9.173 -4.572 1.00 1.13 H new ATOM 0 HB3 GLU A 21 -23.144 -8.499 -2.961 1.00 1.13 H new ATOM 0 HG2 GLU A 21 -22.965 -6.203 -4.057 1.00 1.72 H new ATOM 0 HG3 GLU A 21 -23.388 -6.976 -5.572 1.00 1.72 H new ATOM 306 N ILE A 22 -21.046 -10.716 -3.641 1.00 0.83 N ATOM 307 CA ILE A 22 -20.592 -11.861 -2.864 1.00 0.91 C ATOM 308 C ILE A 22 -19.071 -12.008 -2.927 1.00 0.82 C ATOM 309 O ILE A 22 -18.410 -12.232 -1.906 1.00 0.86 O ATOM 310 CB ILE A 22 -21.252 -13.168 -3.354 1.00 1.09 C ATOM 311 CG1 ILE A 22 -22.777 -13.030 -3.367 1.00 1.25 C ATOM 312 CG2 ILE A 22 -20.832 -14.344 -2.484 1.00 1.40 C ATOM 313 CD1 ILE A 22 -23.391 -12.819 -1.997 1.00 1.91 C ATOM 0 H ILE A 22 -21.572 -10.955 -4.481 1.00 0.83 H new ATOM 0 HA ILE A 22 -20.888 -11.680 -1.831 1.00 0.91 H new ATOM 0 HB ILE A 22 -20.914 -13.358 -4.373 1.00 1.09 H new ATOM 0 HG12 ILE A 22 -23.050 -12.192 -4.009 1.00 1.25 H new ATOM 0 HG13 ILE A 22 -23.208 -13.926 -3.813 1.00 1.25 H new ATOM 0 HG21 ILE A 22 -21.309 -15.254 -2.848 1.00 1.40 H new ATOM 0 HG22 ILE A 22 -19.749 -14.460 -2.527 1.00 1.40 H new ATOM 0 HG23 ILE A 22 -21.137 -14.161 -1.454 1.00 1.40 H new ATOM 0 HD11 ILE A 22 -24.473 -12.731 -2.093 1.00 1.91 H new ATOM 0 HD12 ILE A 22 -23.151 -13.668 -1.356 1.00 1.91 H new ATOM 0 HD13 ILE A 22 -22.990 -11.907 -1.555 1.00 1.91 H new ATOM 325 N TRP A 23 -18.517 -11.850 -4.120 1.00 0.79 N ATOM 326 CA TRP A 23 -17.104 -12.123 -4.348 1.00 0.84 C ATOM 327 C TRP A 23 -16.191 -11.074 -3.708 1.00 0.82 C ATOM 328 O TRP A 23 -15.155 -11.422 -3.145 1.00 0.94 O ATOM 329 CB TRP A 23 -16.825 -12.242 -5.846 1.00 0.90 C ATOM 330 CG TRP A 23 -17.250 -13.570 -6.411 1.00 0.98 C ATOM 331 CD1 TRP A 23 -18.499 -13.914 -6.848 1.00 1.26 C ATOM 332 CD2 TRP A 23 -16.432 -14.733 -6.581 1.00 0.95 C ATOM 333 NE1 TRP A 23 -18.506 -15.217 -7.279 1.00 1.33 N ATOM 334 CE2 TRP A 23 -17.250 -15.742 -7.127 1.00 1.14 C ATOM 335 CE3 TRP A 23 -15.087 -15.019 -6.331 1.00 0.97 C ATOM 336 CZ2 TRP A 23 -16.764 -17.012 -7.425 1.00 1.24 C ATOM 337 CZ3 TRP A 23 -14.610 -16.281 -6.624 1.00 1.16 C ATOM 338 CH2 TRP A 23 -15.446 -17.265 -7.166 1.00 1.24 C ATOM 0 H TRP A 23 -19.024 -11.534 -4.947 1.00 0.79 H new ATOM 0 HA TRP A 23 -16.876 -13.072 -3.863 1.00 0.84 H new ATOM 0 HB2 TRP A 23 -17.347 -11.443 -6.373 1.00 0.90 H new ATOM 0 HB3 TRP A 23 -15.759 -12.099 -6.026 1.00 0.90 H new ATOM 0 HD1 TRP A 23 -19.355 -13.256 -6.853 1.00 1.26 H new ATOM 0 HE1 TRP A 23 -19.315 -15.714 -7.652 1.00 1.33 H new ATOM 0 HE3 TRP A 23 -14.433 -14.266 -5.916 1.00 0.97 H new ATOM 0 HZ2 TRP A 23 -17.406 -17.771 -7.846 1.00 1.24 H new ATOM 0 HZ3 TRP A 23 -13.573 -16.514 -6.432 1.00 1.16 H new ATOM 0 HH2 TRP A 23 -15.042 -18.243 -7.384 1.00 1.24 H new ATOM 349 N GLU A 24 -16.569 -9.805 -3.772 1.00 0.80 N ATOM 350 CA GLU A 24 -15.723 -8.741 -3.232 1.00 0.93 C ATOM 351 C GLU A 24 -15.813 -8.676 -1.707 1.00 0.90 C ATOM 352 O GLU A 24 -14.829 -8.377 -1.036 1.00 1.04 O ATOM 353 CB GLU A 24 -16.086 -7.382 -3.856 1.00 1.20 C ATOM 354 CG GLU A 24 -17.232 -6.656 -3.162 1.00 1.75 C ATOM 355 CD GLU A 24 -17.135 -5.147 -3.266 1.00 2.29 C ATOM 356 OE1 GLU A 24 -16.013 -4.615 -3.389 1.00 2.65 O ATOM 357 OE2 GLU A 24 -18.192 -4.479 -3.218 1.00 2.78 O ATOM 0 H GLU A 24 -17.445 -9.486 -4.187 1.00 0.80 H new ATOM 0 HA GLU A 24 -14.691 -8.975 -3.495 1.00 0.93 H new ATOM 0 HB2 GLU A 24 -15.204 -6.742 -3.840 1.00 1.20 H new ATOM 0 HB3 GLU A 24 -16.350 -7.535 -4.902 1.00 1.20 H new ATOM 0 HG2 GLU A 24 -18.177 -6.983 -3.596 1.00 1.75 H new ATOM 0 HG3 GLU A 24 -17.249 -6.941 -2.110 1.00 1.75 H new ATOM 364 N ARG A 25 -16.984 -8.986 -1.158 1.00 0.97 N ATOM 365 CA ARG A 25 -17.212 -8.834 0.273 1.00 1.16 C ATOM 366 C ARG A 25 -16.854 -10.098 1.050 1.00 1.21 C ATOM 367 O ARG A 25 -16.013 -10.068 1.951 1.00 1.50 O ATOM 368 CB ARG A 25 -18.672 -8.456 0.544 1.00 1.41 C ATOM 369 CG ARG A 25 -19.044 -7.067 0.053 1.00 1.99 C ATOM 370 CD ARG A 25 -18.955 -6.035 1.167 1.00 2.67 C ATOM 371 NE ARG A 25 -17.580 -5.845 1.634 1.00 3.12 N ATOM 372 CZ ARG A 25 -16.720 -4.979 1.097 1.00 3.67 C ATOM 373 NH1 ARG A 25 -17.099 -4.192 0.097 1.00 3.90 N ATOM 374 NH2 ARG A 25 -15.481 -4.891 1.572 1.00 4.40 N ATOM 0 H ARG A 25 -17.785 -9.342 -1.680 1.00 0.97 H new ATOM 0 HA ARG A 25 -16.557 -8.034 0.618 1.00 1.16 H new ATOM 0 HB2 ARG A 25 -19.323 -9.188 0.065 1.00 1.41 H new ATOM 0 HB3 ARG A 25 -18.861 -8.516 1.616 1.00 1.41 H new ATOM 0 HG2 ARG A 25 -18.381 -6.780 -0.763 1.00 1.99 H new ATOM 0 HG3 ARG A 25 -20.057 -7.082 -0.349 1.00 1.99 H new ATOM 0 HD2 ARG A 25 -19.351 -5.084 0.812 1.00 2.67 H new ATOM 0 HD3 ARG A 25 -19.581 -6.349 2.002 1.00 2.67 H new ATOM 0 HE ARG A 25 -17.260 -6.411 2.420 1.00 3.12 H new ATOM 0 HH11 ARG A 25 -18.051 -4.248 -0.264 1.00 3.90 H new ATOM 0 HH12 ARG A 25 -16.438 -3.531 -0.311 1.00 3.90 H new ATOM 0 HH21 ARG A 25 -15.189 -5.486 2.347 1.00 4.40 H new ATOM 0 HH22 ARG A 25 -14.823 -4.229 1.161 1.00 4.40 H new ATOM 388 N VAL A 26 -17.480 -11.212 0.697 1.00 1.11 N ATOM 389 CA VAL A 26 -17.348 -12.431 1.486 1.00 1.34 C ATOM 390 C VAL A 26 -16.278 -13.363 0.926 1.00 1.36 C ATOM 391 O VAL A 26 -15.485 -13.924 1.678 1.00 1.78 O ATOM 392 CB VAL A 26 -18.685 -13.202 1.584 1.00 1.54 C ATOM 393 CG1 VAL A 26 -18.887 -13.726 2.995 1.00 2.01 C ATOM 394 CG2 VAL A 26 -19.863 -12.327 1.170 1.00 1.66 C ATOM 0 H VAL A 26 -18.080 -11.298 -0.123 1.00 1.11 H new ATOM 0 HA VAL A 26 -17.049 -12.108 2.483 1.00 1.34 H new ATOM 0 HB VAL A 26 -18.637 -14.045 0.895 1.00 1.54 H new ATOM 0 HG11 VAL A 26 -19.832 -14.267 3.051 1.00 2.01 H new ATOM 0 HG12 VAL A 26 -18.069 -14.398 3.254 1.00 2.01 H new ATOM 0 HG13 VAL A 26 -18.906 -12.890 3.694 1.00 2.01 H new ATOM 0 HG21 VAL A 26 -20.787 -12.899 1.250 1.00 1.66 H new ATOM 0 HG22 VAL A 26 -19.917 -11.457 1.824 1.00 1.66 H new ATOM 0 HG23 VAL A 26 -19.728 -11.999 0.139 1.00 1.66 H new ATOM 404 N LEU A 27 -16.256 -13.524 -0.387 1.00 1.20 N ATOM 405 CA LEU A 27 -15.355 -14.484 -1.020 1.00 1.40 C ATOM 406 C LEU A 27 -13.897 -14.035 -0.944 1.00 1.42 C ATOM 407 O LEU A 27 -13.088 -14.624 -0.224 1.00 1.89 O ATOM 408 CB LEU A 27 -15.757 -14.696 -2.481 1.00 1.51 C ATOM 409 CG LEU A 27 -16.489 -16.007 -2.780 1.00 2.02 C ATOM 410 CD1 LEU A 27 -15.523 -17.182 -2.758 1.00 2.17 C ATOM 411 CD2 LEU A 27 -17.625 -16.225 -1.790 1.00 2.85 C ATOM 0 H LEU A 27 -16.848 -13.006 -1.037 1.00 1.20 H new ATOM 0 HA LEU A 27 -15.442 -15.424 -0.474 1.00 1.40 H new ATOM 0 HB2 LEU A 27 -16.394 -13.866 -2.788 1.00 1.51 H new ATOM 0 HB3 LEU A 27 -14.859 -14.653 -3.097 1.00 1.51 H new ATOM 0 HG LEU A 27 -16.916 -15.938 -3.781 1.00 2.02 H new ATOM 0 HD11 LEU A 27 -16.065 -18.103 -2.973 1.00 2.17 H new ATOM 0 HD12 LEU A 27 -14.750 -17.032 -3.512 1.00 2.17 H new ATOM 0 HD13 LEU A 27 -15.061 -17.255 -1.774 1.00 2.17 H new ATOM 0 HD21 LEU A 27 -18.133 -17.162 -2.019 1.00 2.85 H new ATOM 0 HD22 LEU A 27 -17.222 -16.269 -0.778 1.00 2.85 H new ATOM 0 HD23 LEU A 27 -18.334 -15.401 -1.863 1.00 2.85 H new ATOM 423 N GLY A 28 -13.566 -12.990 -1.686 1.00 1.29 N ATOM 424 CA GLY A 28 -12.188 -12.552 -1.782 1.00 1.52 C ATOM 425 C GLY A 28 -11.817 -11.507 -0.754 1.00 1.37 C ATOM 426 O GLY A 28 -10.639 -11.350 -0.431 1.00 1.73 O ATOM 0 H GLY A 28 -14.230 -12.435 -2.226 1.00 1.29 H new ATOM 0 HA2 GLY A 28 -11.532 -13.414 -1.666 1.00 1.52 H new ATOM 0 HA3 GLY A 28 -12.011 -12.149 -2.779 1.00 1.52 H new ATOM 430 N VAL A 29 -12.818 -10.802 -0.231 1.00 1.31 N ATOM 431 CA VAL A 29 -12.589 -9.727 0.733 1.00 1.31 C ATOM 432 C VAL A 29 -11.627 -8.694 0.148 1.00 1.43 C ATOM 433 O VAL A 29 -10.608 -8.348 0.746 1.00 1.90 O ATOM 434 CB VAL A 29 -12.037 -10.256 2.082 1.00 1.49 C ATOM 435 CG1 VAL A 29 -12.227 -9.223 3.182 1.00 1.78 C ATOM 436 CG2 VAL A 29 -12.708 -11.568 2.467 1.00 1.92 C ATOM 0 H VAL A 29 -13.800 -10.957 -0.460 1.00 1.31 H new ATOM 0 HA VAL A 29 -13.554 -9.261 0.933 1.00 1.31 H new ATOM 0 HB VAL A 29 -10.970 -10.440 1.959 1.00 1.49 H new ATOM 0 HG11 VAL A 29 -11.833 -9.614 4.120 1.00 1.78 H new ATOM 0 HG12 VAL A 29 -11.696 -8.309 2.918 1.00 1.78 H new ATOM 0 HG13 VAL A 29 -13.289 -9.005 3.297 1.00 1.78 H new ATOM 0 HG21 VAL A 29 -12.304 -11.918 3.417 1.00 1.92 H new ATOM 0 HG22 VAL A 29 -13.782 -11.412 2.565 1.00 1.92 H new ATOM 0 HG23 VAL A 29 -12.519 -12.314 1.695 1.00 1.92 H new ATOM 446 N SER A 30 -11.957 -8.222 -1.040 1.00 1.40 N ATOM 447 CA SER A 30 -11.113 -7.280 -1.749 1.00 1.56 C ATOM 448 C SER A 30 -11.969 -6.259 -2.479 1.00 1.53 C ATOM 449 O SER A 30 -13.020 -6.597 -3.024 1.00 2.21 O ATOM 450 CB SER A 30 -10.216 -8.021 -2.745 1.00 1.76 C ATOM 451 OG SER A 30 -10.493 -9.412 -2.744 1.00 1.94 O ATOM 0 H SER A 30 -12.810 -8.478 -1.537 1.00 1.40 H new ATOM 0 HA SER A 30 -10.483 -6.761 -1.027 1.00 1.56 H new ATOM 0 HB2 SER A 30 -10.368 -7.617 -3.746 1.00 1.76 H new ATOM 0 HB3 SER A 30 -9.169 -7.855 -2.490 1.00 1.76 H new ATOM 0 HG SER A 30 -9.909 -9.862 -3.389 1.00 1.94 H new ATOM 457 N GLY A 31 -11.521 -5.015 -2.490 1.00 1.30 N ATOM 458 CA GLY A 31 -12.240 -3.980 -3.200 1.00 1.27 C ATOM 459 C GLY A 31 -11.916 -3.998 -4.675 1.00 1.21 C ATOM 460 O GLY A 31 -11.135 -3.181 -5.158 1.00 1.58 O ATOM 0 H GLY A 31 -10.672 -4.703 -2.020 1.00 1.30 H new ATOM 0 HA2 GLY A 31 -13.312 -4.118 -3.060 1.00 1.27 H new ATOM 0 HA3 GLY A 31 -11.986 -3.006 -2.782 1.00 1.27 H new ATOM 464 N ILE A 32 -12.507 -4.943 -5.388 1.00 1.13 N ATOM 465 CA ILE A 32 -12.216 -5.134 -6.798 1.00 1.29 C ATOM 466 C ILE A 32 -13.465 -4.934 -7.649 1.00 1.38 C ATOM 467 O ILE A 32 -14.333 -4.123 -7.322 1.00 2.01 O ATOM 468 CB ILE A 32 -11.636 -6.543 -7.063 1.00 1.71 C ATOM 469 CG1 ILE A 32 -12.272 -7.576 -6.124 1.00 2.68 C ATOM 470 CG2 ILE A 32 -10.125 -6.532 -6.891 1.00 2.03 C ATOM 471 CD1 ILE A 32 -13.281 -8.480 -6.801 1.00 3.56 C ATOM 0 H ILE A 32 -13.196 -5.593 -5.009 1.00 1.13 H new ATOM 0 HA ILE A 32 -11.473 -4.387 -7.076 1.00 1.29 H new ATOM 0 HB ILE A 32 -11.870 -6.824 -8.090 1.00 1.71 H new ATOM 0 HG12 ILE A 32 -11.484 -8.190 -5.688 1.00 2.68 H new ATOM 0 HG13 ILE A 32 -12.761 -7.053 -5.302 1.00 2.68 H new ATOM 0 HG21 ILE A 32 -9.730 -7.530 -7.080 1.00 2.03 H new ATOM 0 HG22 ILE A 32 -9.684 -5.827 -7.596 1.00 2.03 H new ATOM 0 HG23 ILE A 32 -9.877 -6.231 -5.873 1.00 2.03 H new ATOM 0 HD11 ILE A 32 -13.686 -9.182 -6.073 1.00 3.56 H new ATOM 0 HD12 ILE A 32 -14.090 -7.877 -7.213 1.00 3.56 H new ATOM 0 HD13 ILE A 32 -12.794 -9.032 -7.605 1.00 3.56 H new ATOM 483 N GLY A 33 -13.546 -5.676 -8.742 1.00 1.59 N ATOM 484 CA GLY A 33 -14.687 -5.591 -9.620 1.00 1.93 C ATOM 485 C GLY A 33 -14.489 -6.431 -10.859 1.00 1.81 C ATOM 486 O GLY A 33 -13.489 -7.143 -10.978 1.00 2.28 O ATOM 0 H GLY A 33 -12.832 -6.342 -9.037 1.00 1.59 H new ATOM 0 HA2 GLY A 33 -15.581 -5.923 -9.092 1.00 1.93 H new ATOM 0 HA3 GLY A 33 -14.853 -4.552 -9.905 1.00 1.93 H new ATOM 490 N ILE A 34 -15.430 -6.348 -11.785 1.00 1.73 N ATOM 491 CA ILE A 34 -15.339 -7.098 -13.030 1.00 1.78 C ATOM 492 C ILE A 34 -14.417 -6.384 -14.011 1.00 1.93 C ATOM 493 O ILE A 34 -14.869 -5.619 -14.864 1.00 2.58 O ATOM 494 CB ILE A 34 -16.724 -7.304 -13.682 1.00 1.94 C ATOM 495 CG1 ILE A 34 -17.801 -7.553 -12.613 1.00 2.07 C ATOM 496 CG2 ILE A 34 -16.676 -8.456 -14.680 1.00 2.43 C ATOM 497 CD1 ILE A 34 -17.591 -8.820 -11.805 1.00 2.67 C ATOM 0 H ILE A 34 -16.266 -5.770 -11.700 1.00 1.73 H new ATOM 0 HA ILE A 34 -14.930 -8.079 -12.787 1.00 1.78 H new ATOM 0 HB ILE A 34 -16.989 -6.393 -14.220 1.00 1.94 H new ATOM 0 HG12 ILE A 34 -17.826 -6.701 -11.933 1.00 2.07 H new ATOM 0 HG13 ILE A 34 -18.775 -7.602 -13.099 1.00 2.07 H new ATOM 0 HG21 ILE A 34 -17.660 -8.588 -15.131 1.00 2.43 H new ATOM 0 HG22 ILE A 34 -15.947 -8.232 -15.459 1.00 2.43 H new ATOM 0 HG23 ILE A 34 -16.387 -9.372 -14.165 1.00 2.43 H new ATOM 0 HD11 ILE A 34 -18.393 -8.922 -11.074 1.00 2.67 H new ATOM 0 HD12 ILE A 34 -17.596 -9.682 -12.472 1.00 2.67 H new ATOM 0 HD13 ILE A 34 -16.633 -8.767 -11.288 1.00 2.67 H new ATOM 509 N LEU A 35 -13.119 -6.615 -13.858 1.00 1.70 N ATOM 510 CA LEU A 35 -12.119 -6.008 -14.725 1.00 1.89 C ATOM 511 C LEU A 35 -10.778 -6.733 -14.593 1.00 1.85 C ATOM 512 O LEU A 35 -10.199 -7.156 -15.590 1.00 2.19 O ATOM 513 CB LEU A 35 -11.972 -4.506 -14.415 1.00 2.03 C ATOM 514 CG LEU A 35 -11.127 -4.144 -13.184 1.00 1.96 C ATOM 515 CD1 LEU A 35 -10.370 -2.847 -13.418 1.00 2.44 C ATOM 516 CD2 LEU A 35 -11.997 -4.032 -11.942 1.00 2.46 C ATOM 0 H LEU A 35 -12.733 -7.223 -13.136 1.00 1.70 H new ATOM 0 HA LEU A 35 -12.452 -6.107 -15.758 1.00 1.89 H new ATOM 0 HB2 LEU A 35 -11.534 -4.018 -15.286 1.00 2.03 H new ATOM 0 HB3 LEU A 35 -12.969 -4.085 -14.282 1.00 2.03 H new ATOM 0 HG LEU A 35 -10.405 -4.944 -13.024 1.00 1.96 H new ATOM 0 HD11 LEU A 35 -9.777 -2.607 -12.535 1.00 2.44 H new ATOM 0 HD12 LEU A 35 -9.710 -2.961 -14.278 1.00 2.44 H new ATOM 0 HD13 LEU A 35 -11.079 -2.041 -13.609 1.00 2.44 H new ATOM 0 HD21 LEU A 35 -11.375 -3.775 -11.084 1.00 2.46 H new ATOM 0 HD22 LEU A 35 -12.747 -3.256 -12.092 1.00 2.46 H new ATOM 0 HD23 LEU A 35 -12.493 -4.985 -11.758 1.00 2.46 H new ATOM 528 N ASP A 36 -10.309 -6.895 -13.355 1.00 1.95 N ATOM 529 CA ASP A 36 -9.018 -7.523 -13.084 1.00 2.14 C ATOM 530 C ASP A 36 -8.745 -7.519 -11.586 1.00 1.49 C ATOM 531 O ASP A 36 -9.612 -7.132 -10.797 1.00 1.80 O ATOM 532 CB ASP A 36 -7.886 -6.776 -13.803 1.00 3.20 C ATOM 533 CG ASP A 36 -6.757 -7.691 -14.248 1.00 3.75 C ATOM 534 OD1 ASP A 36 -6.461 -8.679 -13.541 1.00 4.01 O ATOM 535 OD2 ASP A 36 -6.144 -7.413 -15.298 1.00 4.20 O ATOM 0 H ASP A 36 -10.810 -6.597 -12.518 1.00 1.95 H new ATOM 0 HA ASP A 36 -9.055 -8.548 -13.452 1.00 2.14 H new ATOM 0 HB2 ASP A 36 -8.293 -6.262 -14.673 1.00 3.20 H new ATOM 0 HB3 ASP A 36 -7.485 -6.010 -13.139 1.00 3.20 H new ATOM 540 N ASN A 37 -7.547 -7.974 -11.214 1.00 1.38 N ATOM 541 CA ASN A 37 -7.056 -7.941 -9.830 1.00 1.74 C ATOM 542 C ASN A 37 -7.730 -8.994 -8.965 1.00 1.40 C ATOM 543 O ASN A 37 -7.384 -9.152 -7.797 1.00 1.90 O ATOM 544 CB ASN A 37 -7.232 -6.552 -9.210 1.00 2.65 C ATOM 545 CG ASN A 37 -6.038 -5.662 -9.468 1.00 3.55 C ATOM 546 OD1 ASN A 37 -4.902 -6.134 -9.542 1.00 4.12 O ATOM 547 ND2 ASN A 37 -6.281 -4.371 -9.613 1.00 4.13 N ATOM 0 H ASN A 37 -6.881 -8.381 -11.871 1.00 1.38 H new ATOM 0 HA ASN A 37 -5.991 -8.170 -9.868 1.00 1.74 H new ATOM 0 HB2 ASN A 37 -8.128 -6.084 -9.618 1.00 2.65 H new ATOM 0 HB3 ASN A 37 -7.385 -6.651 -8.135 1.00 2.65 H new ATOM 0 HD21 ASN A 37 -5.513 -3.725 -9.794 1.00 4.13 H new ATOM 0 HD22 ASN A 37 -7.237 -4.021 -9.544 1.00 4.13 H new ATOM 554 N PHE A 38 -8.679 -9.708 -9.555 1.00 1.23 N ATOM 555 CA PHE A 38 -9.393 -10.786 -8.885 1.00 1.41 C ATOM 556 C PHE A 38 -10.431 -11.366 -9.831 1.00 1.51 C ATOM 557 O PHE A 38 -10.761 -10.738 -10.842 1.00 2.27 O ATOM 558 CB PHE A 38 -10.082 -10.293 -7.605 1.00 1.89 C ATOM 559 CG PHE A 38 -10.277 -11.371 -6.576 1.00 1.43 C ATOM 560 CD1 PHE A 38 -9.188 -11.935 -5.930 1.00 1.62 C ATOM 561 CD2 PHE A 38 -11.547 -11.826 -6.262 1.00 1.78 C ATOM 562 CE1 PHE A 38 -9.364 -12.930 -4.989 1.00 2.03 C ATOM 563 CE2 PHE A 38 -11.730 -12.823 -5.324 1.00 1.88 C ATOM 564 CZ PHE A 38 -10.637 -13.375 -4.686 1.00 1.97 C ATOM 0 H PHE A 38 -8.977 -9.554 -10.518 1.00 1.23 H new ATOM 0 HA PHE A 38 -8.670 -11.552 -8.605 1.00 1.41 H new ATOM 0 HB2 PHE A 38 -9.489 -9.489 -7.169 1.00 1.89 H new ATOM 0 HB3 PHE A 38 -11.052 -9.869 -7.864 1.00 1.89 H new ATOM 0 HD1 PHE A 38 -8.191 -11.592 -6.165 1.00 1.62 H new ATOM 0 HD2 PHE A 38 -12.405 -11.396 -6.757 1.00 1.78 H new ATOM 0 HE1 PHE A 38 -8.508 -13.360 -4.490 1.00 2.03 H new ATOM 0 HE2 PHE A 38 -12.726 -13.170 -5.090 1.00 1.88 H new ATOM 0 HZ PHE A 38 -10.777 -14.154 -3.951 1.00 1.97 H new ATOM 574 N PHE A 39 -10.932 -12.558 -9.498 1.00 1.24 N ATOM 575 CA PHE A 39 -11.954 -13.247 -10.290 1.00 1.51 C ATOM 576 C PHE A 39 -11.376 -13.750 -11.612 1.00 1.25 C ATOM 577 O PHE A 39 -11.194 -14.950 -11.798 1.00 1.22 O ATOM 578 CB PHE A 39 -13.164 -12.335 -10.543 1.00 2.01 C ATOM 579 CG PHE A 39 -14.481 -13.059 -10.579 1.00 1.77 C ATOM 580 CD1 PHE A 39 -14.574 -14.386 -10.189 1.00 1.63 C ATOM 581 CD2 PHE A 39 -15.628 -12.408 -11.001 1.00 1.94 C ATOM 582 CE1 PHE A 39 -15.785 -15.048 -10.224 1.00 1.63 C ATOM 583 CE2 PHE A 39 -16.842 -13.066 -11.036 1.00 1.93 C ATOM 584 CZ PHE A 39 -16.921 -14.388 -10.647 1.00 1.75 C ATOM 0 H PHE A 39 -10.639 -13.074 -8.669 1.00 1.24 H new ATOM 0 HA PHE A 39 -12.292 -14.109 -9.716 1.00 1.51 H new ATOM 0 HB2 PHE A 39 -13.201 -11.574 -9.764 1.00 2.01 H new ATOM 0 HB3 PHE A 39 -13.022 -11.815 -11.490 1.00 2.01 H new ATOM 0 HD1 PHE A 39 -13.690 -14.908 -9.854 1.00 1.63 H new ATOM 0 HD2 PHE A 39 -15.573 -11.374 -11.306 1.00 1.94 H new ATOM 0 HE1 PHE A 39 -15.843 -16.083 -9.920 1.00 1.63 H new ATOM 0 HE2 PHE A 39 -17.729 -12.546 -11.368 1.00 1.93 H new ATOM 0 HZ PHE A 39 -17.869 -14.905 -10.674 1.00 1.75 H new ATOM 594 N GLN A 40 -11.069 -12.828 -12.509 1.00 1.25 N ATOM 595 CA GLN A 40 -10.533 -13.175 -13.817 1.00 1.25 C ATOM 596 C GLN A 40 -9.022 -13.376 -13.740 1.00 1.28 C ATOM 597 O GLN A 40 -8.249 -12.543 -14.215 1.00 1.93 O ATOM 598 CB GLN A 40 -10.878 -12.089 -14.845 1.00 1.46 C ATOM 599 CG GLN A 40 -10.870 -10.672 -14.282 1.00 1.85 C ATOM 600 CD GLN A 40 -12.265 -10.139 -14.008 1.00 1.75 C ATOM 601 OE1 GLN A 40 -13.098 -10.047 -14.906 1.00 2.39 O ATOM 602 NE2 GLN A 40 -12.530 -9.777 -12.760 1.00 1.80 N ATOM 0 H GLN A 40 -11.182 -11.826 -12.355 1.00 1.25 H new ATOM 0 HA GLN A 40 -10.989 -14.111 -14.138 1.00 1.25 H new ATOM 0 HB2 GLN A 40 -10.166 -12.145 -15.669 1.00 1.46 H new ATOM 0 HB3 GLN A 40 -11.864 -12.298 -15.261 1.00 1.46 H new ATOM 0 HG2 GLN A 40 -10.292 -10.657 -13.358 1.00 1.85 H new ATOM 0 HG3 GLN A 40 -10.365 -10.010 -14.985 1.00 1.85 H new ATOM 0 HE21 GLN A 40 -11.814 -9.867 -12.040 1.00 1.80 H new ATOM 0 HE22 GLN A 40 -13.450 -9.408 -12.520 1.00 1.80 H new ATOM 611 N ILE A 41 -8.608 -14.479 -13.130 1.00 1.12 N ATOM 612 CA ILE A 41 -7.192 -14.796 -12.987 1.00 1.27 C ATOM 613 C ILE A 41 -6.958 -16.299 -13.106 1.00 1.35 C ATOM 614 O ILE A 41 -7.908 -17.082 -13.152 1.00 1.77 O ATOM 615 CB ILE A 41 -6.612 -14.303 -11.642 1.00 1.70 C ATOM 616 CG1 ILE A 41 -7.714 -14.145 -10.589 1.00 2.36 C ATOM 617 CG2 ILE A 41 -5.870 -12.992 -11.842 1.00 2.27 C ATOM 618 CD1 ILE A 41 -7.402 -14.834 -9.278 1.00 3.23 C ATOM 0 H ILE A 41 -9.236 -15.173 -12.724 1.00 1.12 H new ATOM 0 HA ILE A 41 -6.678 -14.274 -13.794 1.00 1.27 H new ATOM 0 HB ILE A 41 -5.910 -15.053 -11.277 1.00 1.70 H new ATOM 0 HG12 ILE A 41 -7.877 -13.084 -10.402 1.00 2.36 H new ATOM 0 HG13 ILE A 41 -8.646 -14.545 -10.988 1.00 2.36 H new ATOM 0 HG21 ILE A 41 -5.465 -12.654 -10.888 1.00 2.27 H new ATOM 0 HG22 ILE A 41 -5.055 -13.140 -12.550 1.00 2.27 H new ATOM 0 HG23 ILE A 41 -6.557 -12.241 -12.232 1.00 2.27 H new ATOM 0 HD11 ILE A 41 -8.226 -14.680 -8.581 1.00 3.23 H new ATOM 0 HD12 ILE A 41 -7.268 -15.902 -9.451 1.00 3.23 H new ATOM 0 HD13 ILE A 41 -6.487 -14.417 -8.857 1.00 3.23 H new ATOM 630 N GLY A 42 -5.690 -16.692 -13.148 1.00 1.60 N ATOM 631 CA GLY A 42 -5.346 -18.093 -13.301 1.00 1.96 C ATOM 632 C GLY A 42 -5.526 -18.887 -12.023 1.00 1.64 C ATOM 633 O GLY A 42 -4.635 -18.918 -11.171 1.00 2.06 O ATOM 0 H GLY A 42 -4.891 -16.062 -13.078 1.00 1.60 H new ATOM 0 HA2 GLY A 42 -5.965 -18.530 -14.085 1.00 1.96 H new ATOM 0 HA3 GLY A 42 -4.310 -18.174 -13.630 1.00 1.96 H new ATOM 637 N GLY A 43 -6.684 -19.515 -11.879 1.00 1.60 N ATOM 638 CA GLY A 43 -6.940 -20.349 -10.724 1.00 1.92 C ATOM 639 C GLY A 43 -8.400 -20.723 -10.608 1.00 1.62 C ATOM 640 O GLY A 43 -9.138 -20.664 -11.590 1.00 2.17 O ATOM 0 H GLY A 43 -7.454 -19.461 -12.546 1.00 1.60 H new ATOM 0 HA2 GLY A 43 -6.338 -21.255 -10.791 1.00 1.92 H new ATOM 0 HA3 GLY A 43 -6.627 -19.824 -9.821 1.00 1.92 H new ATOM 644 N HIS A 44 -8.812 -21.112 -9.408 1.00 1.25 N ATOM 645 CA HIS A 44 -10.197 -21.485 -9.142 1.00 1.22 C ATOM 646 C HIS A 44 -10.449 -21.538 -7.640 1.00 1.13 C ATOM 647 O HIS A 44 -9.703 -22.175 -6.895 1.00 1.36 O ATOM 648 CB HIS A 44 -10.554 -22.835 -9.795 1.00 1.54 C ATOM 649 CG HIS A 44 -9.746 -24.010 -9.310 1.00 1.39 C ATOM 650 ND1 HIS A 44 -10.264 -24.999 -8.497 1.00 1.94 N ATOM 651 CD2 HIS A 44 -8.455 -24.357 -9.537 1.00 1.92 C ATOM 652 CE1 HIS A 44 -9.331 -25.899 -8.254 1.00 2.26 C ATOM 653 NE2 HIS A 44 -8.228 -25.534 -8.870 1.00 2.26 N ATOM 0 H HIS A 44 -8.200 -21.178 -8.595 1.00 1.25 H new ATOM 0 HA HIS A 44 -10.840 -20.723 -9.584 1.00 1.22 H new ATOM 0 HB2 HIS A 44 -11.609 -23.040 -9.616 1.00 1.54 H new ATOM 0 HB3 HIS A 44 -10.425 -22.745 -10.874 1.00 1.54 H new ATOM 0 HD2 HIS A 44 -7.739 -23.809 -10.132 1.00 1.92 H new ATOM 0 HE1 HIS A 44 -9.452 -26.786 -7.651 1.00 2.26 H new ATOM 0 HE2 HIS A 44 -7.345 -26.044 -8.854 1.00 2.26 H new ATOM 662 N SER A 45 -11.480 -20.842 -7.200 1.00 1.01 N ATOM 663 CA SER A 45 -11.841 -20.805 -5.793 1.00 1.10 C ATOM 664 C SER A 45 -12.665 -22.031 -5.408 1.00 1.13 C ATOM 665 O SER A 45 -13.217 -22.717 -6.268 1.00 1.31 O ATOM 666 CB SER A 45 -12.621 -19.525 -5.510 1.00 1.19 C ATOM 667 OG SER A 45 -12.560 -18.652 -6.626 1.00 1.19 O ATOM 0 H SER A 45 -12.089 -20.289 -7.803 1.00 1.01 H new ATOM 0 HA SER A 45 -10.932 -20.817 -5.192 1.00 1.10 H new ATOM 0 HB2 SER A 45 -13.660 -19.767 -5.286 1.00 1.19 H new ATOM 0 HB3 SER A 45 -12.212 -19.029 -4.630 1.00 1.19 H new ATOM 0 HG SER A 45 -13.393 -18.139 -6.686 1.00 1.19 H new ATOM 673 N LEU A 46 -12.746 -22.305 -4.119 1.00 1.21 N ATOM 674 CA LEU A 46 -13.457 -23.478 -3.637 1.00 1.32 C ATOM 675 C LEU A 46 -14.890 -23.128 -3.259 1.00 1.35 C ATOM 676 O LEU A 46 -15.256 -23.159 -2.084 1.00 1.77 O ATOM 677 CB LEU A 46 -12.725 -24.086 -2.439 1.00 1.50 C ATOM 678 CG LEU A 46 -11.200 -24.118 -2.555 1.00 1.83 C ATOM 679 CD1 LEU A 46 -10.560 -23.593 -1.280 1.00 2.37 C ATOM 680 CD2 LEU A 46 -10.715 -25.527 -2.859 1.00 2.35 C ATOM 0 H LEU A 46 -12.329 -21.732 -3.386 1.00 1.21 H new ATOM 0 HA LEU A 46 -13.487 -24.213 -4.441 1.00 1.32 H new ATOM 0 HB2 LEU A 46 -12.994 -23.523 -1.545 1.00 1.50 H new ATOM 0 HB3 LEU A 46 -13.084 -25.105 -2.293 1.00 1.50 H new ATOM 0 HG LEU A 46 -10.903 -23.471 -3.380 1.00 1.83 H new ATOM 0 HD11 LEU A 46 -9.475 -23.622 -1.379 1.00 2.37 H new ATOM 0 HD12 LEU A 46 -10.881 -22.566 -1.108 1.00 2.37 H new ATOM 0 HD13 LEU A 46 -10.865 -24.214 -0.438 1.00 2.37 H new ATOM 0 HD21 LEU A 46 -9.628 -25.529 -2.938 1.00 2.35 H new ATOM 0 HD22 LEU A 46 -11.022 -26.198 -2.057 1.00 2.35 H new ATOM 0 HD23 LEU A 46 -11.147 -25.865 -3.801 1.00 2.35 H new ATOM 692 N LYS A 47 -15.693 -22.778 -4.255 1.00 1.23 N ATOM 693 CA LYS A 47 -17.099 -22.483 -4.026 1.00 1.28 C ATOM 694 C LYS A 47 -17.902 -22.562 -5.321 1.00 1.27 C ATOM 695 O LYS A 47 -17.518 -21.964 -6.329 1.00 1.27 O ATOM 696 CB LYS A 47 -17.272 -21.102 -3.390 1.00 1.30 C ATOM 697 CG LYS A 47 -18.223 -21.103 -2.202 1.00 1.49 C ATOM 698 CD LYS A 47 -18.295 -19.739 -1.536 1.00 1.72 C ATOM 699 CE LYS A 47 -18.099 -19.842 -0.032 1.00 1.61 C ATOM 700 NZ LYS A 47 -19.393 -19.979 0.688 1.00 2.27 N ATOM 0 H LYS A 47 -15.395 -22.692 -5.227 1.00 1.23 H new ATOM 0 HA LYS A 47 -17.480 -23.238 -3.338 1.00 1.28 H new ATOM 0 HB2 LYS A 47 -16.298 -20.733 -3.067 1.00 1.30 H new ATOM 0 HB3 LYS A 47 -17.642 -20.406 -4.143 1.00 1.30 H new ATOM 0 HG2 LYS A 47 -19.218 -21.399 -2.533 1.00 1.49 H new ATOM 0 HG3 LYS A 47 -17.895 -21.846 -1.475 1.00 1.49 H new ATOM 0 HD2 LYS A 47 -17.532 -19.086 -1.959 1.00 1.72 H new ATOM 0 HD3 LYS A 47 -19.261 -19.280 -1.747 1.00 1.72 H new ATOM 0 HE2 LYS A 47 -17.466 -20.700 0.194 1.00 1.61 H new ATOM 0 HE3 LYS A 47 -17.576 -18.956 0.327 1.00 1.61 H new ATOM 0 HZ1 LYS A 47 -19.216 -20.046 1.711 1.00 2.27 H new ATOM 0 HZ2 LYS A 47 -19.988 -19.149 0.494 1.00 2.27 H new ATOM 0 HZ3 LYS A 47 -19.881 -20.838 0.364 1.00 2.27 H new ATOM 714 N ALA A 48 -18.979 -23.351 -5.261 1.00 1.33 N ATOM 715 CA ALA A 48 -20.011 -23.472 -6.307 1.00 1.38 C ATOM 716 C ALA A 48 -19.543 -23.087 -7.713 1.00 1.18 C ATOM 717 O ALA A 48 -18.978 -23.911 -8.434 1.00 1.05 O ATOM 718 CB ALA A 48 -21.230 -22.650 -5.915 1.00 1.64 C ATOM 0 H ALA A 48 -19.167 -23.947 -4.455 1.00 1.33 H new ATOM 0 HA ALA A 48 -20.259 -24.532 -6.366 1.00 1.38 H new ATOM 0 HB1 ALA A 48 -21.993 -22.739 -6.688 1.00 1.64 H new ATOM 0 HB2 ALA A 48 -21.627 -23.017 -4.969 1.00 1.64 H new ATOM 0 HB3 ALA A 48 -20.944 -21.604 -5.807 1.00 1.64 H new ATOM 724 N MET A 49 -19.784 -21.827 -8.085 1.00 1.20 N ATOM 725 CA MET A 49 -19.527 -21.331 -9.439 1.00 1.09 C ATOM 726 C MET A 49 -18.091 -21.592 -9.887 1.00 0.94 C ATOM 727 O MET A 49 -17.853 -22.003 -11.020 1.00 0.85 O ATOM 728 CB MET A 49 -19.830 -19.831 -9.512 1.00 1.22 C ATOM 729 CG MET A 49 -19.643 -19.236 -10.901 1.00 1.35 C ATOM 730 SD MET A 49 -20.749 -17.845 -11.221 1.00 1.95 S ATOM 731 CE MET A 49 -21.257 -18.202 -12.901 1.00 2.58 C ATOM 0 H MET A 49 -20.164 -21.121 -7.454 1.00 1.20 H new ATOM 0 HA MET A 49 -20.185 -21.876 -10.116 1.00 1.09 H new ATOM 0 HB2 MET A 49 -20.857 -19.661 -9.189 1.00 1.22 H new ATOM 0 HB3 MET A 49 -19.183 -19.304 -8.811 1.00 1.22 H new ATOM 0 HG2 MET A 49 -18.610 -18.907 -11.014 1.00 1.35 H new ATOM 0 HG3 MET A 49 -19.814 -20.010 -11.649 1.00 1.35 H new ATOM 0 HE1 MET A 49 -21.945 -17.430 -13.245 1.00 2.58 H new ATOM 0 HE2 MET A 49 -20.381 -18.222 -13.549 1.00 2.58 H new ATOM 0 HE3 MET A 49 -21.754 -19.172 -12.933 1.00 2.58 H new ATOM 741 N ALA A 50 -17.142 -21.368 -8.991 1.00 0.96 N ATOM 742 CA ALA A 50 -15.735 -21.522 -9.322 1.00 0.90 C ATOM 743 C ALA A 50 -15.382 -22.991 -9.518 1.00 0.84 C ATOM 744 O ALA A 50 -14.573 -23.339 -10.384 1.00 0.80 O ATOM 745 CB ALA A 50 -14.872 -20.904 -8.239 1.00 1.06 C ATOM 0 H ALA A 50 -17.321 -21.079 -8.029 1.00 0.96 H new ATOM 0 HA ALA A 50 -15.542 -21.002 -10.260 1.00 0.90 H new ATOM 0 HB1 ALA A 50 -13.820 -21.026 -8.498 1.00 1.06 H new ATOM 0 HB2 ALA A 50 -15.104 -19.843 -8.151 1.00 1.06 H new ATOM 0 HB3 ALA A 50 -15.071 -21.399 -7.288 1.00 1.06 H new ATOM 751 N VAL A 51 -15.999 -23.854 -8.719 1.00 0.90 N ATOM 752 CA VAL A 51 -15.790 -25.290 -8.853 1.00 0.92 C ATOM 753 C VAL A 51 -16.355 -25.771 -10.184 1.00 0.84 C ATOM 754 O VAL A 51 -15.694 -26.490 -10.929 1.00 0.85 O ATOM 755 CB VAL A 51 -16.445 -26.085 -7.703 1.00 1.07 C ATOM 756 CG1 VAL A 51 -16.041 -27.551 -7.764 1.00 1.17 C ATOM 757 CG2 VAL A 51 -16.080 -25.488 -6.354 1.00 1.46 C ATOM 0 H VAL A 51 -16.644 -23.586 -7.976 1.00 0.90 H new ATOM 0 HA VAL A 51 -14.715 -25.467 -8.811 1.00 0.92 H new ATOM 0 HB VAL A 51 -17.527 -26.020 -7.822 1.00 1.07 H new ATOM 0 HG11 VAL A 51 -16.513 -28.093 -6.945 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -16.362 -27.978 -8.714 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -14.958 -27.634 -7.677 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -16.554 -26.066 -5.560 1.00 1.46 H new ATOM 0 HG22 VAL A 51 -14.998 -25.514 -6.225 1.00 1.46 H new ATOM 0 HG23 VAL A 51 -16.426 -24.456 -6.307 1.00 1.46 H new ATOM 767 N ALA A 52 -17.569 -25.328 -10.490 1.00 0.84 N ATOM 768 CA ALA A 52 -18.236 -25.692 -11.732 1.00 0.85 C ATOM 769 C ALA A 52 -17.489 -25.138 -12.943 1.00 0.77 C ATOM 770 O ALA A 52 -17.590 -25.674 -14.044 1.00 0.83 O ATOM 771 CB ALA A 52 -19.675 -25.196 -11.719 1.00 0.97 C ATOM 0 H ALA A 52 -18.114 -24.711 -9.888 1.00 0.84 H new ATOM 0 HA ALA A 52 -18.238 -26.779 -11.811 1.00 0.85 H new ATOM 0 HB1 ALA A 52 -20.164 -25.474 -12.653 1.00 0.97 H new ATOM 0 HB2 ALA A 52 -20.208 -25.647 -10.882 1.00 0.97 H new ATOM 0 HB3 ALA A 52 -19.685 -24.111 -11.613 1.00 0.97 H new ATOM 777 N ALA A 53 -16.739 -24.062 -12.734 1.00 0.72 N ATOM 778 CA ALA A 53 -15.931 -23.477 -13.795 1.00 0.74 C ATOM 779 C ALA A 53 -14.782 -24.405 -14.165 1.00 0.73 C ATOM 780 O ALA A 53 -14.314 -24.410 -15.304 1.00 0.93 O ATOM 781 CB ALA A 53 -15.401 -22.116 -13.376 1.00 0.82 C ATOM 0 H ALA A 53 -16.674 -23.578 -11.839 1.00 0.72 H new ATOM 0 HA ALA A 53 -16.563 -23.344 -14.673 1.00 0.74 H new ATOM 0 HB1 ALA A 53 -14.800 -21.696 -14.182 1.00 0.82 H new ATOM 0 HB2 ALA A 53 -16.237 -21.450 -13.162 1.00 0.82 H new ATOM 0 HB3 ALA A 53 -14.785 -22.224 -12.483 1.00 0.82 H new ATOM 787 N GLN A 54 -14.336 -25.197 -13.199 1.00 0.71 N ATOM 788 CA GLN A 54 -13.282 -26.175 -13.441 1.00 0.83 C ATOM 789 C GLN A 54 -13.850 -27.402 -14.150 1.00 0.88 C ATOM 790 O GLN A 54 -13.139 -28.115 -14.859 1.00 1.07 O ATOM 791 CB GLN A 54 -12.619 -26.581 -12.126 1.00 0.99 C ATOM 792 CG GLN A 54 -11.115 -26.373 -12.118 1.00 1.27 C ATOM 793 CD GLN A 54 -10.359 -27.602 -11.655 1.00 1.30 C ATOM 794 OE1 GLN A 54 -10.954 -28.609 -11.273 1.00 1.76 O ATOM 795 NE2 GLN A 54 -9.040 -27.524 -11.678 1.00 1.86 N ATOM 0 H GLN A 54 -14.687 -25.182 -12.241 1.00 0.71 H new ATOM 0 HA GLN A 54 -12.528 -25.720 -14.083 1.00 0.83 H new ATOM 0 HB2 GLN A 54 -13.062 -26.007 -11.312 1.00 0.99 H new ATOM 0 HB3 GLN A 54 -12.834 -27.631 -11.929 1.00 0.99 H new ATOM 0 HG2 GLN A 54 -10.784 -26.104 -13.121 1.00 1.27 H new ATOM 0 HG3 GLN A 54 -10.871 -25.534 -11.466 1.00 1.27 H new ATOM 0 HE21 GLN A 54 -8.585 -26.670 -12.002 1.00 1.86 H new ATOM 0 HE22 GLN A 54 -8.477 -28.317 -11.372 1.00 1.86 H new ATOM 804 N VAL A 55 -15.142 -27.635 -13.958 1.00 0.88 N ATOM 805 CA VAL A 55 -15.840 -28.733 -14.620 1.00 0.98 C ATOM 806 C VAL A 55 -16.475 -28.245 -15.921 1.00 0.96 C ATOM 807 O VAL A 55 -17.314 -28.921 -16.518 1.00 1.10 O ATOM 808 CB VAL A 55 -16.929 -29.358 -13.719 1.00 1.13 C ATOM 809 CG1 VAL A 55 -17.091 -30.839 -14.028 1.00 1.82 C ATOM 810 CG2 VAL A 55 -16.604 -29.159 -12.246 1.00 1.36 C ATOM 0 H VAL A 55 -15.733 -27.074 -13.344 1.00 0.88 H new ATOM 0 HA VAL A 55 -15.099 -29.503 -14.833 1.00 0.98 H new ATOM 0 HB VAL A 55 -17.870 -28.850 -13.930 1.00 1.13 H new ATOM 0 HG11 VAL A 55 -17.862 -31.263 -13.384 1.00 1.82 H new ATOM 0 HG12 VAL A 55 -17.381 -30.963 -15.071 1.00 1.82 H new ATOM 0 HG13 VAL A 55 -16.147 -31.353 -13.850 1.00 1.82 H new ATOM 0 HG21 VAL A 55 -17.388 -29.609 -11.636 1.00 1.36 H new ATOM 0 HG22 VAL A 55 -15.649 -29.632 -12.017 1.00 1.36 H new ATOM 0 HG23 VAL A 55 -16.542 -28.093 -12.028 1.00 1.36 H new ATOM 820 N HIS A 56 -16.065 -27.060 -16.353 1.00 0.95 N ATOM 821 CA HIS A 56 -16.528 -26.499 -17.616 1.00 1.02 C ATOM 822 C HIS A 56 -15.597 -26.928 -18.739 1.00 0.97 C ATOM 823 O HIS A 56 -15.736 -26.496 -19.884 1.00 1.30 O ATOM 824 CB HIS A 56 -16.587 -24.974 -17.540 1.00 1.22 C ATOM 825 CG HIS A 56 -17.978 -24.429 -17.555 1.00 1.39 C ATOM 826 ND1 HIS A 56 -18.654 -24.125 -18.715 1.00 1.92 N ATOM 827 CD2 HIS A 56 -18.825 -24.135 -16.541 1.00 1.81 C ATOM 828 CE1 HIS A 56 -19.854 -23.668 -18.416 1.00 1.97 C ATOM 829 NE2 HIS A 56 -19.984 -23.663 -17.104 1.00 1.97 N ATOM 0 H HIS A 56 -15.410 -26.466 -15.845 1.00 0.95 H new ATOM 0 HA HIS A 56 -17.532 -26.872 -17.816 1.00 1.02 H new ATOM 0 HB2 HIS A 56 -16.086 -24.644 -16.630 1.00 1.22 H new ATOM 0 HB3 HIS A 56 -16.032 -24.555 -18.379 1.00 1.22 H new ATOM 0 HD2 HIS A 56 -18.626 -24.250 -15.486 1.00 1.81 H new ATOM 0 HE1 HIS A 56 -20.604 -23.351 -19.126 1.00 1.97 H new ATOM 0 HE2 HIS A 56 -20.811 -23.358 -16.591 1.00 1.97 H new ATOM 838 N ARG A 57 -14.645 -27.776 -18.386 1.00 0.98 N ATOM 839 CA ARG A 57 -13.675 -28.307 -19.326 1.00 1.19 C ATOM 840 C ARG A 57 -13.158 -29.643 -18.810 1.00 1.33 C ATOM 841 O ARG A 57 -13.730 -30.220 -17.885 1.00 2.17 O ATOM 842 CB ARG A 57 -12.511 -27.330 -19.508 1.00 1.33 C ATOM 843 CG ARG A 57 -12.408 -26.749 -20.909 1.00 1.79 C ATOM 844 CD ARG A 57 -11.627 -25.450 -20.904 1.00 1.88 C ATOM 845 NE ARG A 57 -10.866 -25.245 -22.138 1.00 2.28 N ATOM 846 CZ ARG A 57 -11.163 -24.315 -23.050 1.00 2.79 C ATOM 847 NH1 ARG A 57 -12.263 -23.578 -22.925 1.00 3.10 N ATOM 848 NH2 ARG A 57 -10.373 -24.135 -24.103 1.00 3.57 N ATOM 0 H ARG A 57 -14.524 -28.117 -17.432 1.00 0.98 H new ATOM 0 HA ARG A 57 -14.156 -28.448 -20.294 1.00 1.19 H new ATOM 0 HB2 ARG A 57 -12.620 -26.514 -18.794 1.00 1.33 H new ATOM 0 HB3 ARG A 57 -11.579 -27.842 -19.268 1.00 1.33 H new ATOM 0 HG2 ARG A 57 -11.921 -27.467 -21.569 1.00 1.79 H new ATOM 0 HG3 ARG A 57 -13.407 -26.575 -21.308 1.00 1.79 H new ATOM 0 HD2 ARG A 57 -12.316 -24.617 -20.764 1.00 1.88 H new ATOM 0 HD3 ARG A 57 -10.943 -25.445 -20.055 1.00 1.88 H new ATOM 0 HE ARG A 57 -10.062 -25.848 -22.312 1.00 2.28 H new ATOM 0 HH11 ARG A 57 -12.885 -23.721 -22.130 1.00 3.10 H new ATOM 0 HH12 ARG A 57 -12.484 -22.869 -23.625 1.00 3.10 H new ATOM 0 HH21 ARG A 57 -9.537 -24.708 -24.217 1.00 3.57 H new ATOM 0 HH22 ARG A 57 -10.603 -23.424 -24.797 1.00 3.57 H new ATOM 862 N GLU A 58 -12.064 -30.112 -19.385 1.00 1.21 N ATOM 863 CA GLU A 58 -11.461 -31.383 -19.005 1.00 1.40 C ATOM 864 C GLU A 58 -10.626 -31.250 -17.724 1.00 1.22 C ATOM 865 O GLU A 58 -9.575 -31.889 -17.583 1.00 1.68 O ATOM 866 CB GLU A 58 -10.589 -31.890 -20.160 1.00 1.88 C ATOM 867 CG GLU A 58 -9.313 -31.083 -20.382 1.00 2.68 C ATOM 868 CD GLU A 58 -9.496 -29.893 -21.303 1.00 3.16 C ATOM 869 OE1 GLU A 58 -10.638 -29.430 -21.479 1.00 3.64 O ATOM 870 OE2 GLU A 58 -8.486 -29.406 -21.849 1.00 3.53 O ATOM 0 H GLU A 58 -11.566 -29.624 -20.130 1.00 1.21 H new ATOM 0 HA GLU A 58 -12.257 -32.099 -18.801 1.00 1.40 H new ATOM 0 HB2 GLU A 58 -10.320 -32.929 -19.968 1.00 1.88 H new ATOM 0 HB3 GLU A 58 -11.178 -31.877 -21.077 1.00 1.88 H new ATOM 0 HG2 GLU A 58 -8.944 -30.732 -19.418 1.00 2.68 H new ATOM 0 HG3 GLU A 58 -8.547 -31.738 -20.797 1.00 2.68 H new ATOM 877 N TYR A 59 -11.123 -30.451 -16.779 1.00 1.26 N ATOM 878 CA TYR A 59 -10.379 -30.105 -15.569 1.00 1.40 C ATOM 879 C TYR A 59 -9.092 -29.386 -15.951 1.00 1.33 C ATOM 880 O TYR A 59 -8.003 -29.963 -15.946 1.00 1.82 O ATOM 881 CB TYR A 59 -10.084 -31.351 -14.723 1.00 1.93 C ATOM 882 CG TYR A 59 -11.326 -32.105 -14.304 1.00 2.42 C ATOM 883 CD1 TYR A 59 -12.107 -31.656 -13.246 1.00 2.98 C ATOM 884 CD2 TYR A 59 -11.718 -33.264 -14.964 1.00 2.85 C ATOM 885 CE1 TYR A 59 -13.242 -32.340 -12.856 1.00 3.65 C ATOM 886 CE2 TYR A 59 -12.853 -33.953 -14.579 1.00 3.50 C ATOM 887 CZ TYR A 59 -13.611 -33.495 -13.541 1.00 3.80 C ATOM 888 OH TYR A 59 -14.744 -34.168 -13.138 1.00 4.58 O ATOM 0 H TYR A 59 -12.049 -30.027 -16.831 1.00 1.26 H new ATOM 0 HA TYR A 59 -10.990 -29.439 -14.960 1.00 1.40 H new ATOM 0 HB2 TYR A 59 -9.437 -32.020 -15.290 1.00 1.93 H new ATOM 0 HB3 TYR A 59 -9.532 -31.053 -13.832 1.00 1.93 H new ATOM 0 HD1 TYR A 59 -11.822 -30.757 -12.720 1.00 2.98 H new ATOM 0 HD2 TYR A 59 -11.127 -33.632 -15.790 1.00 2.85 H new ATOM 0 HE1 TYR A 59 -13.837 -31.983 -12.028 1.00 3.65 H new ATOM 0 HE2 TYR A 59 -13.140 -34.854 -15.100 1.00 3.50 H new ATOM 0 HH TYR A 59 -14.878 -34.954 -13.708 1.00 4.58 H new ATOM 898 N GLN A 60 -9.240 -28.109 -16.275 1.00 1.24 N ATOM 899 CA GLN A 60 -8.162 -27.307 -16.846 1.00 1.28 C ATOM 900 C GLN A 60 -7.141 -26.851 -15.798 1.00 1.38 C ATOM 901 O GLN A 60 -6.432 -25.867 -16.012 1.00 1.94 O ATOM 902 CB GLN A 60 -8.762 -26.084 -17.548 1.00 1.68 C ATOM 903 CG GLN A 60 -9.390 -25.081 -16.588 1.00 1.83 C ATOM 904 CD GLN A 60 -10.877 -25.302 -16.380 1.00 2.07 C ATOM 905 OE1 GLN A 60 -11.398 -26.389 -16.616 1.00 2.80 O ATOM 906 NE2 GLN A 60 -11.570 -24.269 -15.926 1.00 2.27 N ATOM 0 H GLN A 60 -10.113 -27.597 -16.150 1.00 1.24 H new ATOM 0 HA GLN A 60 -7.627 -27.937 -17.557 1.00 1.28 H new ATOM 0 HB2 GLN A 60 -7.982 -25.585 -18.123 1.00 1.68 H new ATOM 0 HB3 GLN A 60 -9.518 -26.417 -18.259 1.00 1.68 H new ATOM 0 HG2 GLN A 60 -8.882 -25.142 -15.625 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -9.229 -24.073 -16.970 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -11.101 -23.382 -15.742 1.00 2.27 H new ATOM 0 HE22 GLN A 60 -12.572 -24.360 -15.760 1.00 2.27 H new ATOM 915 N VAL A 61 -7.056 -27.575 -14.683 1.00 1.49 N ATOM 916 CA VAL A 61 -6.136 -27.235 -13.592 1.00 1.90 C ATOM 917 C VAL A 61 -6.359 -25.798 -13.119 1.00 2.03 C ATOM 918 O VAL A 61 -7.297 -25.523 -12.371 1.00 2.77 O ATOM 919 CB VAL A 61 -4.652 -27.423 -13.998 1.00 2.42 C ATOM 920 CG1 VAL A 61 -3.763 -27.509 -12.766 1.00 3.13 C ATOM 921 CG2 VAL A 61 -4.474 -28.662 -14.862 1.00 2.70 C ATOM 0 H VAL A 61 -7.617 -28.408 -14.508 1.00 1.49 H new ATOM 0 HA VAL A 61 -6.352 -27.923 -12.775 1.00 1.90 H new ATOM 0 HB VAL A 61 -4.355 -26.552 -14.583 1.00 2.42 H new ATOM 0 HG11 VAL A 61 -2.726 -27.641 -13.074 1.00 3.13 H new ATOM 0 HG12 VAL A 61 -3.855 -26.591 -12.186 1.00 3.13 H new ATOM 0 HG13 VAL A 61 -4.070 -28.357 -12.154 1.00 3.13 H new ATOM 0 HG21 VAL A 61 -3.423 -28.769 -15.132 1.00 2.70 H new ATOM 0 HG22 VAL A 61 -4.798 -29.542 -14.307 1.00 2.70 H new ATOM 0 HG23 VAL A 61 -5.073 -28.563 -15.767 1.00 2.70 H new ATOM 931 N GLU A 62 -5.512 -24.881 -13.570 1.00 1.77 N ATOM 932 CA GLU A 62 -5.649 -23.477 -13.213 1.00 2.15 C ATOM 933 C GLU A 62 -5.493 -22.591 -14.447 1.00 1.95 C ATOM 934 O GLU A 62 -4.991 -21.469 -14.362 1.00 2.59 O ATOM 935 CB GLU A 62 -4.631 -23.088 -12.137 1.00 2.85 C ATOM 936 CG GLU A 62 -3.241 -23.654 -12.363 1.00 3.27 C ATOM 937 CD GLU A 62 -2.191 -22.927 -11.550 1.00 4.00 C ATOM 938 OE1 GLU A 62 -1.658 -21.908 -12.035 1.00 4.41 O ATOM 939 OE2 GLU A 62 -1.882 -23.379 -10.427 1.00 4.56 O ATOM 0 H GLU A 62 -4.723 -25.086 -14.184 1.00 1.77 H new ATOM 0 HA GLU A 62 -6.649 -23.325 -12.806 1.00 2.15 H new ATOM 0 HB2 GLU A 62 -4.565 -22.001 -12.091 1.00 2.85 H new ATOM 0 HB3 GLU A 62 -4.996 -23.427 -11.168 1.00 2.85 H new ATOM 0 HG2 GLU A 62 -3.234 -24.712 -12.101 1.00 3.27 H new ATOM 0 HG3 GLU A 62 -2.990 -23.586 -13.422 1.00 3.27 H new ATOM 946 N LEU A 63 -5.917 -23.107 -15.595 1.00 1.62 N ATOM 947 CA LEU A 63 -5.876 -22.347 -16.837 1.00 1.78 C ATOM 948 C LEU A 63 -7.277 -21.867 -17.205 1.00 1.53 C ATOM 949 O LEU A 63 -8.085 -22.625 -17.733 1.00 1.50 O ATOM 950 CB LEU A 63 -5.297 -23.197 -17.972 1.00 2.34 C ATOM 951 CG LEU A 63 -3.771 -23.160 -18.102 1.00 2.46 C ATOM 952 CD1 LEU A 63 -3.318 -24.014 -19.275 1.00 2.93 C ATOM 953 CD2 LEU A 63 -3.282 -21.727 -18.262 1.00 3.01 C ATOM 0 H LEU A 63 -6.294 -24.050 -15.691 1.00 1.62 H new ATOM 0 HA LEU A 63 -5.230 -21.481 -16.690 1.00 1.78 H new ATOM 0 HB2 LEU A 63 -5.608 -24.231 -17.825 1.00 2.34 H new ATOM 0 HB3 LEU A 63 -5.734 -22.864 -18.913 1.00 2.34 H new ATOM 0 HG LEU A 63 -3.337 -23.569 -17.190 1.00 2.46 H new ATOM 0 HD11 LEU A 63 -2.231 -23.977 -19.354 1.00 2.93 H new ATOM 0 HD12 LEU A 63 -3.636 -25.045 -19.119 1.00 2.93 H new ATOM 0 HD13 LEU A 63 -3.762 -23.633 -20.195 1.00 2.93 H new ATOM 0 HD21 LEU A 63 -2.196 -21.721 -18.353 1.00 3.01 H new ATOM 0 HD22 LEU A 63 -3.723 -21.290 -19.158 1.00 3.01 H new ATOM 0 HD23 LEU A 63 -3.576 -21.143 -17.390 1.00 3.01 H new ATOM 965 N PRO A 64 -7.581 -20.594 -16.932 1.00 1.52 N ATOM 966 CA PRO A 64 -8.922 -20.040 -17.121 1.00 1.44 C ATOM 967 C PRO A 64 -9.184 -19.574 -18.552 1.00 1.43 C ATOM 968 O PRO A 64 -10.258 -19.041 -18.845 1.00 1.89 O ATOM 969 CB PRO A 64 -8.913 -18.852 -16.167 1.00 1.66 C ATOM 970 CG PRO A 64 -7.502 -18.369 -16.186 1.00 1.91 C ATOM 971 CD PRO A 64 -6.639 -19.584 -16.413 1.00 1.79 C ATOM 0 HA PRO A 64 -9.704 -20.775 -16.932 1.00 1.44 H new ATOM 0 HB2 PRO A 64 -9.603 -18.075 -16.495 1.00 1.66 H new ATOM 0 HB3 PRO A 64 -9.218 -19.147 -15.163 1.00 1.66 H new ATOM 0 HG2 PRO A 64 -7.354 -17.634 -16.977 1.00 1.91 H new ATOM 0 HG3 PRO A 64 -7.246 -17.881 -15.246 1.00 1.91 H new ATOM 0 HD2 PRO A 64 -5.840 -19.379 -17.125 1.00 1.79 H new ATOM 0 HD3 PRO A 64 -6.165 -19.916 -15.489 1.00 1.79 H new ATOM 979 N LEU A 65 -8.196 -19.795 -19.419 1.00 1.22 N ATOM 980 CA LEU A 65 -8.219 -19.349 -20.817 1.00 1.24 C ATOM 981 C LEU A 65 -9.567 -19.603 -21.494 1.00 1.19 C ATOM 982 O LEU A 65 -9.893 -20.737 -21.846 1.00 1.82 O ATOM 983 CB LEU A 65 -7.096 -20.054 -21.591 1.00 1.39 C ATOM 984 CG LEU A 65 -7.241 -20.061 -23.117 1.00 1.86 C ATOM 985 CD1 LEU A 65 -6.153 -19.217 -23.759 1.00 2.46 C ATOM 986 CD2 LEU A 65 -7.193 -21.486 -23.651 1.00 2.34 C ATOM 0 H LEU A 65 -7.343 -20.296 -19.169 1.00 1.22 H new ATOM 0 HA LEU A 65 -8.063 -18.270 -20.824 1.00 1.24 H new ATOM 0 HB2 LEU A 65 -6.150 -19.576 -21.337 1.00 1.39 H new ATOM 0 HB3 LEU A 65 -7.035 -21.086 -21.246 1.00 1.39 H new ATOM 0 HG LEU A 65 -8.209 -19.629 -23.372 1.00 1.86 H new ATOM 0 HD11 LEU A 65 -6.271 -19.233 -24.842 1.00 2.46 H new ATOM 0 HD12 LEU A 65 -6.230 -18.190 -23.401 1.00 2.46 H new ATOM 0 HD13 LEU A 65 -5.176 -19.621 -23.495 1.00 2.46 H new ATOM 0 HD21 LEU A 65 -7.297 -21.472 -24.736 1.00 2.34 H new ATOM 0 HD22 LEU A 65 -6.240 -21.943 -23.384 1.00 2.34 H new ATOM 0 HD23 LEU A 65 -8.007 -22.065 -23.216 1.00 2.34 H new ATOM 998 N LYS A 66 -10.349 -18.531 -21.647 1.00 0.89 N ATOM 999 CA LYS A 66 -11.631 -18.577 -22.358 1.00 0.89 C ATOM 1000 C LYS A 66 -12.607 -19.584 -21.741 1.00 0.88 C ATOM 1001 O LYS A 66 -13.512 -20.077 -22.417 1.00 1.21 O ATOM 1002 CB LYS A 66 -11.407 -18.914 -23.833 1.00 1.03 C ATOM 1003 CG LYS A 66 -11.291 -17.688 -24.723 1.00 1.47 C ATOM 1004 CD LYS A 66 -9.982 -17.679 -25.492 1.00 1.62 C ATOM 1005 CE LYS A 66 -9.994 -18.688 -26.629 1.00 1.99 C ATOM 1006 NZ LYS A 66 -10.654 -18.148 -27.847 1.00 2.42 N ATOM 0 H LYS A 66 -10.113 -17.608 -21.283 1.00 0.89 H new ATOM 0 HA LYS A 66 -12.079 -17.588 -22.268 1.00 0.89 H new ATOM 0 HB2 LYS A 66 -10.499 -19.509 -23.928 1.00 1.03 H new ATOM 0 HB3 LYS A 66 -12.232 -19.533 -24.186 1.00 1.03 H new ATOM 0 HG2 LYS A 66 -12.126 -17.666 -25.424 1.00 1.47 H new ATOM 0 HG3 LYS A 66 -11.362 -16.787 -24.114 1.00 1.47 H new ATOM 0 HD2 LYS A 66 -9.801 -16.681 -25.892 1.00 1.62 H new ATOM 0 HD3 LYS A 66 -9.159 -17.904 -24.814 1.00 1.62 H new ATOM 0 HE2 LYS A 66 -8.970 -18.976 -26.869 1.00 1.99 H new ATOM 0 HE3 LYS A 66 -10.512 -19.591 -26.306 1.00 1.99 H new ATOM 0 HZ1 LYS A 66 -10.640 -18.868 -28.597 1.00 2.42 H new ATOM 0 HZ2 LYS A 66 -11.639 -17.897 -27.626 1.00 2.42 H new ATOM 0 HZ3 LYS A 66 -10.145 -17.301 -28.171 1.00 2.42 H new ATOM 1020 N VAL A 67 -12.418 -19.896 -20.465 1.00 0.96 N ATOM 1021 CA VAL A 67 -13.329 -20.791 -19.763 1.00 1.08 C ATOM 1022 C VAL A 67 -14.349 -19.983 -18.978 1.00 1.15 C ATOM 1023 O VAL A 67 -15.554 -20.191 -19.099 1.00 1.70 O ATOM 1024 CB VAL A 67 -12.589 -21.737 -18.792 1.00 1.17 C ATOM 1025 CG1 VAL A 67 -13.512 -22.855 -18.334 1.00 1.65 C ATOM 1026 CG2 VAL A 67 -11.337 -22.311 -19.438 1.00 2.11 C ATOM 0 H VAL A 67 -11.647 -19.545 -19.898 1.00 0.96 H new ATOM 0 HA VAL A 67 -13.823 -21.400 -20.520 1.00 1.08 H new ATOM 0 HB VAL A 67 -12.284 -21.158 -17.921 1.00 1.17 H new ATOM 0 HG11 VAL A 67 -12.975 -23.513 -17.650 1.00 1.65 H new ATOM 0 HG12 VAL A 67 -14.375 -22.428 -17.824 1.00 1.65 H new ATOM 0 HG13 VAL A 67 -13.848 -23.427 -19.199 1.00 1.65 H new ATOM 0 HG21 VAL A 67 -10.835 -22.974 -18.733 1.00 2.11 H new ATOM 0 HG22 VAL A 67 -11.613 -22.873 -20.330 1.00 2.11 H new ATOM 0 HG23 VAL A 67 -10.665 -21.499 -19.714 1.00 2.11 H new ATOM 1036 N LEU A 68 -13.846 -19.050 -18.178 1.00 1.00 N ATOM 1037 CA LEU A 68 -14.690 -18.199 -17.350 1.00 1.15 C ATOM 1038 C LEU A 68 -13.858 -17.088 -16.728 1.00 1.14 C ATOM 1039 O LEU A 68 -14.152 -15.908 -16.892 1.00 1.53 O ATOM 1040 CB LEU A 68 -15.373 -19.017 -16.246 1.00 1.35 C ATOM 1041 CG LEU A 68 -16.871 -18.750 -16.077 1.00 1.62 C ATOM 1042 CD1 LEU A 68 -17.681 -19.970 -16.486 1.00 2.19 C ATOM 1043 CD2 LEU A 68 -17.181 -18.354 -14.640 1.00 2.02 C ATOM 0 H LEU A 68 -12.848 -18.863 -18.086 1.00 1.00 H new ATOM 0 HA LEU A 68 -15.461 -17.761 -17.984 1.00 1.15 H new ATOM 0 HB2 LEU A 68 -15.230 -20.077 -16.458 1.00 1.35 H new ATOM 0 HB3 LEU A 68 -14.873 -18.811 -15.300 1.00 1.35 H new ATOM 0 HG LEU A 68 -17.151 -17.922 -16.729 1.00 1.62 H new ATOM 0 HD11 LEU A 68 -18.743 -19.761 -16.359 1.00 2.19 H new ATOM 0 HD12 LEU A 68 -17.480 -20.206 -17.531 1.00 2.19 H new ATOM 0 HD13 LEU A 68 -17.401 -20.819 -15.862 1.00 2.19 H new ATOM 0 HD21 LEU A 68 -18.250 -18.168 -14.536 1.00 2.02 H new ATOM 0 HD22 LEU A 68 -16.887 -19.161 -13.969 1.00 2.02 H new ATOM 0 HD23 LEU A 68 -16.629 -17.450 -14.385 1.00 2.02 H new ATOM 1055 N PHE A 69 -12.792 -17.477 -16.040 1.00 1.04 N ATOM 1056 CA PHE A 69 -11.935 -16.522 -15.342 1.00 1.16 C ATOM 1057 C PHE A 69 -10.894 -15.915 -16.288 1.00 1.15 C ATOM 1058 O PHE A 69 -9.760 -15.652 -15.897 1.00 1.87 O ATOM 1059 CB PHE A 69 -11.244 -17.201 -14.157 1.00 1.30 C ATOM 1060 CG PHE A 69 -12.196 -17.851 -13.190 1.00 1.20 C ATOM 1061 CD1 PHE A 69 -13.374 -17.220 -12.819 1.00 1.60 C ATOM 1062 CD2 PHE A 69 -11.908 -19.095 -12.651 1.00 1.55 C ATOM 1063 CE1 PHE A 69 -14.246 -17.818 -11.929 1.00 1.69 C ATOM 1064 CE2 PHE A 69 -12.776 -19.696 -11.760 1.00 1.81 C ATOM 1065 CZ PHE A 69 -13.945 -19.056 -11.399 1.00 1.60 C ATOM 0 H PHE A 69 -12.498 -18.450 -15.949 1.00 1.04 H new ATOM 0 HA PHE A 69 -12.563 -15.712 -14.971 1.00 1.16 H new ATOM 0 HB2 PHE A 69 -10.553 -17.955 -14.535 1.00 1.30 H new ATOM 0 HB3 PHE A 69 -10.648 -16.461 -13.623 1.00 1.30 H new ATOM 0 HD1 PHE A 69 -13.613 -16.250 -13.230 1.00 1.60 H new ATOM 0 HD2 PHE A 69 -10.995 -19.600 -12.931 1.00 1.55 H new ATOM 0 HE1 PHE A 69 -15.161 -17.317 -11.649 1.00 1.69 H new ATOM 0 HE2 PHE A 69 -12.540 -20.665 -11.346 1.00 1.81 H new ATOM 0 HZ PHE A 69 -14.624 -19.524 -10.702 1.00 1.60 H new ATOM 1075 N ALA A 70 -11.291 -15.700 -17.532 1.00 0.92 N ATOM 1076 CA ALA A 70 -10.432 -15.079 -18.526 1.00 0.94 C ATOM 1077 C ALA A 70 -11.295 -14.386 -19.559 1.00 0.91 C ATOM 1078 O ALA A 70 -11.127 -14.572 -20.766 1.00 1.09 O ATOM 1079 CB ALA A 70 -9.516 -16.104 -19.181 1.00 1.03 C ATOM 0 H ALA A 70 -12.216 -15.951 -17.880 1.00 0.92 H new ATOM 0 HA ALA A 70 -9.793 -14.345 -18.036 1.00 0.94 H new ATOM 0 HB1 ALA A 70 -8.886 -15.609 -19.920 1.00 1.03 H new ATOM 0 HB2 ALA A 70 -8.888 -16.569 -18.421 1.00 1.03 H new ATOM 0 HB3 ALA A 70 -10.118 -16.869 -19.672 1.00 1.03 H new ATOM 1085 N GLN A 71 -12.257 -13.628 -19.048 1.00 1.05 N ATOM 1086 CA GLN A 71 -13.188 -12.865 -19.861 1.00 1.14 C ATOM 1087 C GLN A 71 -13.963 -11.913 -18.954 1.00 1.04 C ATOM 1088 O GLN A 71 -14.847 -12.341 -18.212 1.00 1.19 O ATOM 1089 CB GLN A 71 -14.151 -13.802 -20.598 1.00 1.43 C ATOM 1090 CG GLN A 71 -14.169 -13.598 -22.105 1.00 1.89 C ATOM 1091 CD GLN A 71 -15.101 -12.480 -22.527 1.00 2.54 C ATOM 1092 OE1 GLN A 71 -15.541 -11.681 -21.704 1.00 2.96 O ATOM 1093 NE2 GLN A 71 -15.412 -12.418 -23.809 1.00 3.23 N ATOM 0 H GLN A 71 -12.412 -13.526 -18.045 1.00 1.05 H new ATOM 0 HA GLN A 71 -12.637 -12.295 -20.609 1.00 1.14 H new ATOM 0 HB2 GLN A 71 -13.875 -14.834 -20.383 1.00 1.43 H new ATOM 0 HB3 GLN A 71 -15.158 -13.654 -20.208 1.00 1.43 H new ATOM 0 HG2 GLN A 71 -13.159 -13.375 -22.451 1.00 1.89 H new ATOM 0 HG3 GLN A 71 -14.475 -14.525 -22.590 1.00 1.89 H new ATOM 0 HE21 GLN A 71 -15.026 -13.101 -24.461 1.00 3.23 H new ATOM 0 HE22 GLN A 71 -16.039 -11.688 -24.147 1.00 3.23 H new ATOM 1102 N PRO A 72 -13.628 -10.613 -18.988 1.00 1.11 N ATOM 1103 CA PRO A 72 -14.216 -9.610 -18.087 1.00 1.26 C ATOM 1104 C PRO A 72 -15.653 -9.224 -18.457 1.00 1.21 C ATOM 1105 O PRO A 72 -16.029 -8.051 -18.393 1.00 1.62 O ATOM 1106 CB PRO A 72 -13.279 -8.414 -18.247 1.00 1.60 C ATOM 1107 CG PRO A 72 -12.738 -8.543 -19.628 1.00 1.77 C ATOM 1108 CD PRO A 72 -12.636 -10.018 -19.903 1.00 1.38 C ATOM 0 HA PRO A 72 -14.297 -9.985 -17.067 1.00 1.26 H new ATOM 0 HB2 PRO A 72 -13.812 -7.472 -18.117 1.00 1.60 H new ATOM 0 HB3 PRO A 72 -12.481 -8.434 -17.505 1.00 1.60 H new ATOM 0 HG2 PRO A 72 -13.394 -8.057 -20.350 1.00 1.77 H new ATOM 0 HG3 PRO A 72 -11.763 -8.063 -19.710 1.00 1.77 H new ATOM 0 HD2 PRO A 72 -12.863 -10.248 -20.944 1.00 1.38 H new ATOM 0 HD3 PRO A 72 -11.632 -10.394 -19.705 1.00 1.38 H new ATOM 1116 N THR A 73 -16.442 -10.216 -18.844 1.00 1.29 N ATOM 1117 CA THR A 73 -17.855 -10.025 -19.129 1.00 1.40 C ATOM 1118 C THR A 73 -18.616 -11.315 -18.836 1.00 1.25 C ATOM 1119 O THR A 73 -18.691 -12.208 -19.681 1.00 1.55 O ATOM 1120 CB THR A 73 -18.105 -9.605 -20.595 1.00 1.86 C ATOM 1121 OG1 THR A 73 -16.862 -9.453 -21.297 1.00 2.46 O ATOM 1122 CG2 THR A 73 -18.886 -8.302 -20.655 1.00 2.01 C ATOM 0 H THR A 73 -16.120 -11.176 -18.969 1.00 1.29 H new ATOM 0 HA THR A 73 -18.211 -9.219 -18.488 1.00 1.40 H new ATOM 0 HB THR A 73 -18.690 -10.391 -21.073 1.00 1.86 H new ATOM 0 HG1 THR A 73 -16.580 -10.321 -21.655 1.00 2.46 H new ATOM 0 HG21 THR A 73 -19.051 -8.024 -21.696 1.00 2.01 H new ATOM 0 HG22 THR A 73 -19.847 -8.431 -20.157 1.00 2.01 H new ATOM 0 HG23 THR A 73 -18.321 -7.516 -20.155 1.00 2.01 H new ATOM 1130 N ILE A 74 -19.167 -11.412 -17.634 1.00 1.12 N ATOM 1131 CA ILE A 74 -19.860 -12.621 -17.205 1.00 1.13 C ATOM 1132 C ILE A 74 -21.137 -12.829 -18.014 1.00 1.08 C ATOM 1133 O ILE A 74 -21.506 -13.963 -18.329 1.00 1.12 O ATOM 1134 CB ILE A 74 -20.177 -12.577 -15.690 1.00 1.34 C ATOM 1135 CG1 ILE A 74 -18.893 -12.779 -14.883 1.00 1.42 C ATOM 1136 CG2 ILE A 74 -21.210 -13.631 -15.305 1.00 1.89 C ATOM 1137 CD1 ILE A 74 -18.600 -11.654 -13.918 1.00 2.08 C ATOM 0 H ILE A 74 -19.148 -10.667 -16.937 1.00 1.12 H new ATOM 0 HA ILE A 74 -19.196 -13.466 -17.386 1.00 1.13 H new ATOM 0 HB ILE A 74 -20.599 -11.598 -15.462 1.00 1.34 H new ATOM 0 HG12 ILE A 74 -18.967 -13.713 -14.327 1.00 1.42 H new ATOM 0 HG13 ILE A 74 -18.054 -12.883 -15.571 1.00 1.42 H new ATOM 0 HG21 ILE A 74 -21.409 -13.572 -14.235 1.00 1.89 H new ATOM 0 HG22 ILE A 74 -22.134 -13.454 -15.856 1.00 1.89 H new ATOM 0 HG23 ILE A 74 -20.827 -14.622 -15.549 1.00 1.89 H new ATOM 0 HD11 ILE A 74 -17.675 -11.866 -13.381 1.00 2.08 H new ATOM 0 HD12 ILE A 74 -18.493 -10.720 -14.470 1.00 2.08 H new ATOM 0 HD13 ILE A 74 -19.420 -11.563 -13.206 1.00 2.08 H new ATOM 1149 N LYS A 75 -21.801 -11.733 -18.372 1.00 1.07 N ATOM 1150 CA LYS A 75 -22.990 -11.810 -19.214 1.00 1.12 C ATOM 1151 C LYS A 75 -22.640 -12.417 -20.569 1.00 1.02 C ATOM 1152 O LYS A 75 -23.420 -13.180 -21.142 1.00 1.06 O ATOM 1153 CB LYS A 75 -23.617 -10.427 -19.402 1.00 1.25 C ATOM 1154 CG LYS A 75 -25.000 -10.471 -20.042 1.00 1.80 C ATOM 1155 CD LYS A 75 -26.069 -10.892 -19.043 1.00 2.44 C ATOM 1156 CE LYS A 75 -26.503 -12.334 -19.257 1.00 3.14 C ATOM 1157 NZ LYS A 75 -27.816 -12.426 -19.951 1.00 3.80 N ATOM 0 H LYS A 75 -21.538 -10.788 -18.094 1.00 1.07 H new ATOM 0 HA LYS A 75 -23.718 -12.451 -18.716 1.00 1.12 H new ATOM 0 HB2 LYS A 75 -23.689 -9.934 -18.432 1.00 1.25 H new ATOM 0 HB3 LYS A 75 -22.958 -9.818 -20.021 1.00 1.25 H new ATOM 0 HG2 LYS A 75 -25.246 -9.489 -20.446 1.00 1.80 H new ATOM 0 HG3 LYS A 75 -24.991 -11.167 -20.881 1.00 1.80 H new ATOM 0 HD2 LYS A 75 -25.686 -10.774 -18.029 1.00 2.44 H new ATOM 0 HD3 LYS A 75 -26.933 -10.234 -19.136 1.00 2.44 H new ATOM 0 HE2 LYS A 75 -25.747 -12.857 -19.842 1.00 3.14 H new ATOM 0 HE3 LYS A 75 -26.566 -12.840 -18.294 1.00 3.14 H new ATOM 0 HZ1 LYS A 75 -28.073 -13.426 -20.076 1.00 3.80 H new ATOM 0 HZ2 LYS A 75 -28.544 -11.950 -19.381 1.00 3.80 H new ATOM 0 HZ3 LYS A 75 -27.750 -11.966 -20.882 1.00 3.80 H new ATOM 1171 N ALA A 76 -21.450 -12.097 -21.063 1.00 0.97 N ATOM 1172 CA ALA A 76 -20.974 -12.646 -22.323 1.00 0.98 C ATOM 1173 C ALA A 76 -20.755 -14.149 -22.198 1.00 0.91 C ATOM 1174 O ALA A 76 -21.031 -14.903 -23.123 1.00 0.97 O ATOM 1175 CB ALA A 76 -19.691 -11.951 -22.756 1.00 1.08 C ATOM 0 H ALA A 76 -20.797 -11.459 -20.608 1.00 0.97 H new ATOM 0 HA ALA A 76 -21.732 -12.471 -23.086 1.00 0.98 H new ATOM 0 HB1 ALA A 76 -19.349 -12.374 -23.700 1.00 1.08 H new ATOM 0 HB2 ALA A 76 -19.880 -10.885 -22.883 1.00 1.08 H new ATOM 0 HB3 ALA A 76 -18.924 -12.095 -21.995 1.00 1.08 H new ATOM 1181 N LEU A 77 -20.280 -14.580 -21.037 1.00 0.91 N ATOM 1182 CA LEU A 77 -20.072 -15.999 -20.778 1.00 0.97 C ATOM 1183 C LEU A 77 -21.409 -16.738 -20.735 1.00 1.04 C ATOM 1184 O LEU A 77 -21.509 -17.893 -21.157 1.00 1.11 O ATOM 1185 CB LEU A 77 -19.318 -16.200 -19.459 1.00 1.15 C ATOM 1186 CG LEU A 77 -17.926 -15.567 -19.405 1.00 1.59 C ATOM 1187 CD1 LEU A 77 -17.501 -15.339 -17.963 1.00 2.41 C ATOM 1188 CD2 LEU A 77 -16.912 -16.439 -20.132 1.00 1.94 C ATOM 0 H LEU A 77 -20.031 -13.968 -20.260 1.00 0.91 H new ATOM 0 HA LEU A 77 -19.472 -16.409 -21.590 1.00 0.97 H new ATOM 0 HB2 LEU A 77 -19.919 -15.788 -18.648 1.00 1.15 H new ATOM 0 HB3 LEU A 77 -19.221 -17.270 -19.273 1.00 1.15 H new ATOM 0 HG LEU A 77 -17.967 -14.601 -19.908 1.00 1.59 H new ATOM 0 HD11 LEU A 77 -16.509 -14.888 -17.943 1.00 2.41 H new ATOM 0 HD12 LEU A 77 -18.212 -14.672 -17.475 1.00 2.41 H new ATOM 0 HD13 LEU A 77 -17.477 -16.293 -17.436 1.00 2.41 H new ATOM 0 HD21 LEU A 77 -15.928 -15.972 -20.082 1.00 1.94 H new ATOM 0 HD22 LEU A 77 -16.872 -17.421 -19.660 1.00 1.94 H new ATOM 0 HD23 LEU A 77 -17.209 -16.550 -21.175 1.00 1.94 H new ATOM 1200 N ALA A 78 -22.439 -16.051 -20.251 1.00 1.13 N ATOM 1201 CA ALA A 78 -23.772 -16.633 -20.135 1.00 1.34 C ATOM 1202 C ALA A 78 -24.421 -16.830 -21.503 1.00 1.34 C ATOM 1203 O ALA A 78 -25.396 -17.569 -21.639 1.00 1.53 O ATOM 1204 CB ALA A 78 -24.652 -15.764 -19.251 1.00 1.57 C ATOM 0 H ALA A 78 -22.375 -15.085 -19.931 1.00 1.13 H new ATOM 0 HA ALA A 78 -23.666 -17.616 -19.675 1.00 1.34 H new ATOM 0 HB1 ALA A 78 -25.643 -16.210 -19.173 1.00 1.57 H new ATOM 0 HB2 ALA A 78 -24.209 -15.689 -18.258 1.00 1.57 H new ATOM 0 HB3 ALA A 78 -24.735 -14.768 -19.687 1.00 1.57 H new ATOM 1210 N GLN A 79 -23.891 -16.161 -22.517 1.00 1.27 N ATOM 1211 CA GLN A 79 -24.373 -16.357 -23.877 1.00 1.42 C ATOM 1212 C GLN A 79 -23.320 -17.079 -24.713 1.00 1.44 C ATOM 1213 O GLN A 79 -23.422 -17.149 -25.938 1.00 1.79 O ATOM 1214 CB GLN A 79 -24.759 -15.022 -24.527 1.00 1.53 C ATOM 1215 CG GLN A 79 -23.662 -13.969 -24.501 1.00 1.65 C ATOM 1216 CD GLN A 79 -24.175 -12.581 -24.831 1.00 2.19 C ATOM 1217 OE1 GLN A 79 -25.079 -12.064 -24.175 1.00 2.63 O ATOM 1218 NE2 GLN A 79 -23.602 -11.963 -25.856 1.00 2.74 N ATOM 0 H GLN A 79 -23.134 -15.484 -22.426 1.00 1.27 H new ATOM 0 HA GLN A 79 -25.269 -16.976 -23.833 1.00 1.42 H new ATOM 0 HB2 GLN A 79 -25.045 -15.206 -25.563 1.00 1.53 H new ATOM 0 HB3 GLN A 79 -25.638 -14.626 -24.019 1.00 1.53 H new ATOM 0 HG2 GLN A 79 -23.200 -13.956 -23.514 1.00 1.65 H new ATOM 0 HG3 GLN A 79 -22.884 -14.243 -25.213 1.00 1.65 H new ATOM 0 HE21 GLN A 79 -22.855 -12.423 -26.376 1.00 2.74 H new ATOM 0 HE22 GLN A 79 -23.908 -11.028 -26.123 1.00 2.74 H new ATOM 1227 N TYR A 80 -22.315 -17.627 -24.036 1.00 1.23 N ATOM 1228 CA TYR A 80 -21.239 -18.349 -24.704 1.00 1.38 C ATOM 1229 C TYR A 80 -21.063 -19.743 -24.102 1.00 1.39 C ATOM 1230 O TYR A 80 -21.695 -20.699 -24.546 1.00 1.59 O ATOM 1231 CB TYR A 80 -19.927 -17.565 -24.598 1.00 1.43 C ATOM 1232 CG TYR A 80 -19.662 -16.649 -25.775 1.00 1.68 C ATOM 1233 CD1 TYR A 80 -20.491 -15.565 -26.041 1.00 2.06 C ATOM 1234 CD2 TYR A 80 -18.580 -16.866 -26.617 1.00 1.83 C ATOM 1235 CE1 TYR A 80 -20.250 -14.724 -27.108 1.00 2.42 C ATOM 1236 CE2 TYR A 80 -18.332 -16.029 -27.689 1.00 2.18 C ATOM 1237 CZ TYR A 80 -19.169 -14.960 -27.929 1.00 2.42 C ATOM 1238 OH TYR A 80 -18.920 -14.121 -28.990 1.00 2.85 O ATOM 0 H TYR A 80 -22.224 -17.584 -23.021 1.00 1.23 H new ATOM 0 HA TYR A 80 -21.505 -18.457 -25.755 1.00 1.38 H new ATOM 0 HB2 TYR A 80 -19.943 -16.971 -23.684 1.00 1.43 H new ATOM 0 HB3 TYR A 80 -19.101 -18.270 -24.505 1.00 1.43 H new ATOM 0 HD1 TYR A 80 -21.340 -15.378 -25.400 1.00 2.06 H new ATOM 0 HD2 TYR A 80 -17.922 -17.702 -26.432 1.00 1.83 H new ATOM 0 HE1 TYR A 80 -20.904 -13.886 -27.298 1.00 2.42 H new ATOM 0 HE2 TYR A 80 -17.486 -16.212 -28.336 1.00 2.18 H new ATOM 0 HH TYR A 80 -18.121 -14.426 -29.468 1.00 2.85 H new ATOM 1248 N VAL A 81 -20.230 -19.842 -23.068 1.00 1.29 N ATOM 1249 CA VAL A 81 -19.891 -21.132 -22.463 1.00 1.39 C ATOM 1250 C VAL A 81 -21.054 -21.709 -21.659 1.00 1.35 C ATOM 1251 O VAL A 81 -21.068 -22.898 -21.339 1.00 1.49 O ATOM 1252 CB VAL A 81 -18.657 -21.027 -21.540 1.00 1.56 C ATOM 1253 CG1 VAL A 81 -17.369 -21.101 -22.346 1.00 2.13 C ATOM 1254 CG2 VAL A 81 -18.701 -19.752 -20.712 1.00 1.72 C ATOM 0 H VAL A 81 -19.775 -19.042 -22.629 1.00 1.29 H new ATOM 0 HA VAL A 81 -19.664 -21.800 -23.294 1.00 1.39 H new ATOM 0 HB VAL A 81 -18.679 -21.875 -20.855 1.00 1.56 H new ATOM 0 HG11 VAL A 81 -16.514 -21.025 -21.674 1.00 2.13 H new ATOM 0 HG12 VAL A 81 -17.328 -22.051 -22.879 1.00 2.13 H new ATOM 0 HG13 VAL A 81 -17.341 -20.281 -23.063 1.00 2.13 H new ATOM 0 HG21 VAL A 81 -17.821 -19.704 -20.071 1.00 1.72 H new ATOM 0 HG22 VAL A 81 -18.715 -18.887 -21.376 1.00 1.72 H new ATOM 0 HG23 VAL A 81 -19.599 -19.750 -20.095 1.00 1.72 H new ATOM 1264 N ALA A 82 -22.016 -20.865 -21.317 1.00 1.42 N ATOM 1265 CA ALA A 82 -23.180 -21.306 -20.561 1.00 1.52 C ATOM 1266 C ALA A 82 -24.466 -20.813 -21.212 1.00 1.59 C ATOM 1267 O ALA A 82 -25.412 -20.425 -20.529 1.00 1.90 O ATOM 1268 CB ALA A 82 -23.087 -20.821 -19.119 1.00 1.66 C ATOM 0 H ALA A 82 -22.014 -19.872 -21.550 1.00 1.42 H new ATOM 0 HA ALA A 82 -23.199 -22.396 -20.561 1.00 1.52 H new ATOM 0 HB1 ALA A 82 -23.963 -21.157 -18.565 1.00 1.66 H new ATOM 0 HB2 ALA A 82 -22.187 -21.226 -18.656 1.00 1.66 H new ATOM 0 HB3 ALA A 82 -23.044 -19.732 -19.103 1.00 1.66 H new ATOM 1274 N THR A 83 -24.500 -20.840 -22.537 1.00 1.64 N ATOM 1275 CA THR A 83 -25.651 -20.343 -23.272 1.00 1.83 C ATOM 1276 C THR A 83 -26.777 -21.375 -23.303 1.00 2.01 C ATOM 1277 O THR A 83 -27.949 -21.012 -23.419 1.00 2.41 O ATOM 1278 CB THR A 83 -25.274 -19.930 -24.718 1.00 2.14 C ATOM 1279 OG1 THR A 83 -26.368 -19.234 -25.335 1.00 2.59 O ATOM 1280 CG2 THR A 83 -24.894 -21.135 -25.567 1.00 2.65 C ATOM 0 H THR A 83 -23.746 -21.200 -23.122 1.00 1.64 H new ATOM 0 HA THR A 83 -26.003 -19.457 -22.744 1.00 1.83 H new ATOM 0 HB THR A 83 -24.407 -19.272 -24.655 1.00 2.14 H new ATOM 0 HG1 THR A 83 -26.949 -19.877 -25.793 1.00 2.59 H new ATOM 0 HG21 THR A 83 -24.636 -20.804 -26.573 1.00 2.65 H new ATOM 0 HG22 THR A 83 -24.037 -21.639 -25.120 1.00 2.65 H new ATOM 0 HG23 THR A 83 -25.736 -21.825 -25.616 1.00 2.65 H new ATOM 1288 N ARG A 84 -26.406 -22.658 -23.201 1.00 2.19 N ATOM 1289 CA ARG A 84 -27.353 -23.780 -23.250 1.00 2.75 C ATOM 1290 C ARG A 84 -27.869 -23.997 -24.672 1.00 3.36 C ATOM 1291 O ARG A 84 -27.863 -25.119 -25.178 1.00 4.13 O ATOM 1292 CB ARG A 84 -28.526 -23.579 -22.281 1.00 3.41 C ATOM 1293 CG ARG A 84 -28.216 -24.016 -20.861 1.00 3.80 C ATOM 1294 CD ARG A 84 -29.387 -23.756 -19.927 1.00 4.57 C ATOM 1295 NE ARG A 84 -29.369 -22.395 -19.387 1.00 5.32 N ATOM 1296 CZ ARG A 84 -28.611 -22.007 -18.360 1.00 6.20 C ATOM 1297 NH1 ARG A 84 -27.790 -22.870 -17.769 1.00 6.48 N ATOM 1298 NH2 ARG A 84 -28.678 -20.759 -17.919 1.00 7.09 N ATOM 0 H ARG A 84 -25.436 -22.948 -23.082 1.00 2.19 H new ATOM 0 HA ARG A 84 -26.811 -24.672 -22.935 1.00 2.75 H new ATOM 0 HB2 ARG A 84 -28.807 -22.526 -22.276 1.00 3.41 H new ATOM 0 HB3 ARG A 84 -29.388 -24.137 -22.645 1.00 3.41 H new ATOM 0 HG2 ARG A 84 -27.971 -25.078 -20.852 1.00 3.80 H new ATOM 0 HG3 ARG A 84 -27.336 -23.483 -20.500 1.00 3.80 H new ATOM 0 HD2 ARG A 84 -30.321 -23.920 -20.463 1.00 4.57 H new ATOM 0 HD3 ARG A 84 -29.361 -24.472 -19.105 1.00 4.57 H new ATOM 0 HE ARG A 84 -29.974 -21.700 -19.824 1.00 5.32 H new ATOM 0 HH11 ARG A 84 -27.738 -23.833 -18.101 1.00 6.48 H new ATOM 0 HH12 ARG A 84 -27.212 -22.569 -16.984 1.00 6.48 H new ATOM 0 HH21 ARG A 84 -29.310 -20.094 -18.365 1.00 7.09 H new ATOM 0 HH22 ARG A 84 -28.098 -20.464 -17.134 1.00 7.09 H new ATOM 1312 N SER A 85 -28.320 -22.923 -25.305 1.00 3.58 N ATOM 1313 CA SER A 85 -28.760 -22.956 -26.688 1.00 4.69 C ATOM 1314 C SER A 85 -28.605 -21.570 -27.299 1.00 5.43 C ATOM 1315 O SER A 85 -28.750 -21.436 -28.530 1.00 5.80 O ATOM 1316 CB SER A 85 -30.217 -23.416 -26.785 1.00 5.10 C ATOM 1317 OG SER A 85 -30.407 -24.648 -26.111 1.00 4.66 O ATOM 1318 OXT SER A 85 -28.334 -20.614 -26.536 1.00 5.98 O ATOM 0 H SER A 85 -28.390 -22.003 -24.870 1.00 3.58 H new ATOM 0 HA SER A 85 -28.144 -23.668 -27.237 1.00 4.69 H new ATOM 0 HB2 SER A 85 -30.871 -22.657 -26.355 1.00 5.10 H new ATOM 0 HB3 SER A 85 -30.499 -23.523 -27.832 1.00 5.10 H new ATOM 0 HG SER A 85 -31.345 -24.920 -26.186 1.00 4.66 H new TER 1324 SER A 85