USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1242 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 79 SER OG : rot 17:sc= -0.102! USER MOD Set 1.2: A 105 SER OG : rot 170:sc= 1.31 USER MOD Set 2.1: A 59 LYS NZ :NH3+ 166:sc= -0.976 (180deg=-1.19!) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -2.55 X(o=-3.5,f=-3.3) USER MOD Set 3.1: A 62 TYR OH : rot 54:sc= 0.778 USER MOD Set 3.2: A 70 GLN : amide:sc= 0.942 K(o=1.7,f=0.48) USER MOD Set 4.1: A 47 CYS SG : rot 28:sc= 0.0714 USER MOD Set 4.2: A 93 TYR OH : rot -30:sc= -0.126 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -176:sc= 1.03 (180deg=1.02) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -122:sc= 0.288 USER MOD Single : A 32 GLN : amide:sc= -0.0335 K(o=-0.033,f=-2.6!) USER MOD Single : A 34 GLN : amide:sc= 0.81 K(o=0.81,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= 1.22 (180deg=1.14) USER MOD Single : A 45 THR OG1 : rot -128:sc= 1.14 USER MOD Single : A 51 CYS SG : rot 150:sc= 0 USER MOD Single : A 53 THR OG1 : rot 138:sc= 1.28 USER MOD Single : A 54 THR OG1 : rot 91:sc= 0.0536 USER MOD Single : A 64 LYS NZ :NH3+ 155:sc= 0.204 (180deg=-1.2!) USER MOD Single : A 68 LYS NZ :NH3+ -161:sc= 0.613 (180deg=-0.345!) USER MOD Single : A 74 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.7) USER MOD Single : A 95 LYS NZ :NH3+ -113:sc= 0.441 (180deg=-0.722!) USER MOD Single : A 100 SER OG : rot 160:sc= 1.25 USER MOD Single : A 107 SER OG : rot -91:sc= 1.22 USER MOD Single : A 116 GLN : amide:sc= 0.51 K(o=0.51,f=-7.6!) USER MOD Single : A 117 THR OG1 : rot 86:sc= 1.27 USER MOD Single : A 122 TYR OH : rot 180:sc= 0.00106 USER MOD Single : A 123 GLN : amide:sc= 0.407 X(o=0.41,f=0) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 HIS : no HE2:sc= 0.389 K(o=0.39,f=-2!) USER MOD Single : A 138 THR OG1 : rot 157:sc= 0.964 USER MOD Single : A 140 THR OG1 : rot 8:sc= 0.195 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -151:sc= 0.863 (180deg=0.086) USER MOD Single : A 153 TYR OH : rot 149:sc= 1 USER MOD Single : A 154 SER OG : rot -152:sc= 1.22 USER MOD Single : A 157 LYS NZ :NH3+ 150:sc= 1.58 (180deg=-1.72) USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= -0.327 X(o=-0.33,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 16.135 5.542 5.087 1.00 1.64 N ATOM 90 CA TYR A 7 16.322 4.088 5.128 1.00 1.69 C ATOM 91 C TYR A 7 15.605 3.348 3.981 1.00 1.65 C ATOM 92 O TYR A 7 15.978 2.220 3.651 1.00 1.74 O ATOM 93 CB TYR A 7 15.791 3.616 6.485 1.00 2.08 C ATOM 94 CG TYR A 7 15.994 2.145 6.790 1.00 1.83 C ATOM 95 CD1 TYR A 7 17.257 1.683 7.210 1.00 2.93 C ATOM 96 CD2 TYR A 7 14.916 1.247 6.683 1.00 2.33 C ATOM 97 CE1 TYR A 7 17.449 0.319 7.506 1.00 3.29 C ATOM 98 CE2 TYR A 7 15.095 -0.115 6.992 1.00 2.45 C ATOM 99 CZ TYR A 7 16.366 -0.584 7.393 1.00 2.50 C ATOM 100 OH TYR A 7 16.544 -1.904 7.657 1.00 3.13 O ATOM 0 HA TYR A 7 17.380 3.859 5.000 1.00 1.69 H new ATOM 0 HB2 TYR A 7 16.274 4.201 7.268 1.00 2.08 H new ATOM 0 HB3 TYR A 7 14.724 3.835 6.534 1.00 2.08 H new ATOM 0 HD1 TYR A 7 18.080 2.376 7.305 1.00 2.93 H new ATOM 0 HD2 TYR A 7 13.948 1.604 6.363 1.00 2.33 H new ATOM 0 HE1 TYR A 7 18.420 -0.036 7.818 1.00 3.29 H new ATOM 0 HE2 TYR A 7 14.263 -0.800 6.923 1.00 2.45 H new ATOM 0 HH TYR A 7 15.697 -2.380 7.531 1.00 3.13 H new ATOM 110 N GLY A 8 14.592 3.964 3.363 1.00 1.35 N ATOM 111 CA GLY A 8 13.861 3.434 2.211 1.00 1.26 C ATOM 112 C GLY A 8 14.603 3.651 0.887 1.00 1.25 C ATOM 113 O GLY A 8 15.662 4.280 0.822 1.00 1.48 O ATOM 0 H GLY A 8 14.248 4.876 3.663 1.00 1.35 H new ATOM 0 HA2 GLY A 8 13.688 2.367 2.355 1.00 1.26 H new ATOM 0 HA3 GLY A 8 12.882 3.911 2.156 1.00 1.26 H new ATOM 117 N THR A 9 14.025 3.118 -0.197 1.00 1.13 N ATOM 118 CA THR A 9 14.592 3.239 -1.546 1.00 1.13 C ATOM 119 C THR A 9 14.141 4.568 -2.120 1.00 1.28 C ATOM 120 O THR A 9 13.052 4.689 -2.683 1.00 1.24 O ATOM 121 CB THR A 9 14.172 2.093 -2.459 1.00 1.28 C ATOM 122 OG1 THR A 9 14.397 0.873 -1.800 1.00 1.51 O ATOM 123 CG2 THR A 9 14.946 2.079 -3.776 1.00 1.33 C ATOM 0 H THR A 9 13.152 2.591 -0.164 1.00 1.13 H new ATOM 0 HA THR A 9 15.679 3.191 -1.479 1.00 1.13 H new ATOM 0 HB THR A 9 13.116 2.234 -2.690 1.00 1.28 H new ATOM 0 HG1 THR A 9 14.127 0.132 -2.382 1.00 1.51 H new ATOM 0 HG21 THR A 9 14.607 1.243 -4.388 1.00 1.33 H new ATOM 0 HG22 THR A 9 14.773 3.013 -4.310 1.00 1.33 H new ATOM 0 HG23 THR A 9 16.011 1.971 -3.571 1.00 1.33 H new ATOM 131 N ARG A 10 14.988 5.576 -1.953 1.00 1.02 N ATOM 132 CA ARG A 10 14.789 6.907 -2.526 1.00 0.95 C ATOM 133 C ARG A 10 14.872 6.867 -4.056 1.00 1.38 C ATOM 134 O ARG A 10 15.782 6.267 -4.622 1.00 1.76 O ATOM 135 CB ARG A 10 15.770 7.910 -1.907 1.00 1.05 C ATOM 136 CG ARG A 10 15.633 9.273 -2.598 1.00 1.61 C ATOM 137 CD ARG A 10 16.298 10.400 -1.824 1.00 2.14 C ATOM 138 NE ARG A 10 16.300 11.619 -2.649 1.00 2.58 N ATOM 139 CZ ARG A 10 16.428 12.866 -2.219 1.00 3.17 C ATOM 140 NH1 ARG A 10 16.532 13.149 -0.935 1.00 4.05 N ATOM 141 NH2 ARG A 10 16.456 13.846 -3.098 1.00 3.77 N ATOM 0 H ARG A 10 15.846 5.493 -1.408 1.00 1.02 H new ATOM 0 HA ARG A 10 13.784 7.249 -2.280 1.00 0.95 H new ATOM 0 HB2 ARG A 10 15.573 8.013 -0.840 1.00 1.05 H new ATOM 0 HB3 ARG A 10 16.791 7.543 -2.009 1.00 1.05 H new ATOM 0 HG2 ARG A 10 16.072 9.215 -3.594 1.00 1.61 H new ATOM 0 HG3 ARG A 10 14.576 9.504 -2.729 1.00 1.61 H new ATOM 0 HD2 ARG A 10 15.765 10.580 -0.890 1.00 2.14 H new ATOM 0 HD3 ARG A 10 17.319 10.123 -1.561 1.00 2.14 H new ATOM 0 HE ARG A 10 16.192 11.491 -3.655 1.00 2.58 H new ATOM 0 HH11 ARG A 10 16.515 12.399 -0.244 1.00 4.05 H new ATOM 0 HH12 ARG A 10 16.630 14.118 -0.633 1.00 4.05 H new ATOM 0 HH21 ARG A 10 16.380 13.640 -4.094 1.00 3.77 H new ATOM 0 HH22 ARG A 10 16.554 14.811 -2.783 1.00 3.77 H new ATOM 155 N LEU A 11 13.952 7.569 -4.717 1.00 0.97 N ATOM 156 CA LEU A 11 13.959 7.730 -6.178 1.00 1.07 C ATOM 157 C LEU A 11 14.677 9.022 -6.617 1.00 1.58 C ATOM 158 O LEU A 11 14.879 9.950 -5.830 1.00 2.18 O ATOM 159 CB LEU A 11 12.520 7.629 -6.724 1.00 0.94 C ATOM 160 CG LEU A 11 11.784 6.322 -6.342 1.00 1.00 C ATOM 161 CD1 LEU A 11 10.403 6.298 -7.005 1.00 0.96 C ATOM 162 CD2 LEU A 11 12.555 5.056 -6.745 1.00 1.22 C ATOM 0 H LEU A 11 13.177 8.045 -4.256 1.00 0.97 H new ATOM 0 HA LEU A 11 14.538 6.916 -6.614 1.00 1.07 H new ATOM 0 HB2 LEU A 11 11.944 8.478 -6.356 1.00 0.94 H new ATOM 0 HB3 LEU A 11 12.550 7.711 -7.810 1.00 0.94 H new ATOM 0 HG LEU A 11 11.696 6.317 -5.256 1.00 1.00 H new ATOM 0 HD11 LEU A 11 9.886 5.377 -6.735 1.00 0.96 H new ATOM 0 HD12 LEU A 11 9.821 7.154 -6.664 1.00 0.96 H new ATOM 0 HD13 LEU A 11 10.518 6.345 -8.088 1.00 0.96 H new ATOM 0 HD21 LEU A 11 11.986 4.174 -6.450 1.00 1.22 H new ATOM 0 HD22 LEU A 11 12.702 5.048 -7.825 1.00 1.22 H new ATOM 0 HD23 LEU A 11 13.524 5.046 -6.247 1.00 1.22 H new ATOM 174 N LEU A 12 15.087 9.057 -7.889 1.00 1.36 N ATOM 175 CA LEU A 12 15.759 10.205 -8.510 1.00 1.62 C ATOM 176 C LEU A 12 14.808 10.990 -9.418 1.00 1.80 C ATOM 177 O LEU A 12 14.598 12.176 -9.198 1.00 2.07 O ATOM 178 CB LEU A 12 17.010 9.736 -9.268 1.00 1.96 C ATOM 179 CG LEU A 12 18.095 9.099 -8.371 1.00 2.62 C ATOM 180 CD1 LEU A 12 19.336 8.875 -9.236 1.00 3.59 C ATOM 181 CD2 LEU A 12 18.483 9.956 -7.154 1.00 2.94 C ATOM 0 H LEU A 12 14.959 8.273 -8.529 1.00 1.36 H new ATOM 0 HA LEU A 12 16.073 10.888 -7.721 1.00 1.62 H new ATOM 0 HB2 LEU A 12 16.711 9.012 -10.026 1.00 1.96 H new ATOM 0 HB3 LEU A 12 17.443 10.587 -9.793 1.00 1.96 H new ATOM 0 HG LEU A 12 17.687 8.171 -7.971 1.00 2.62 H new ATOM 0 HD11 LEU A 12 20.124 8.425 -8.632 1.00 3.59 H new ATOM 0 HD12 LEU A 12 19.088 8.210 -10.063 1.00 3.59 H new ATOM 0 HD13 LEU A 12 19.682 9.830 -9.630 1.00 3.59 H new ATOM 0 HD21 LEU A 12 19.249 9.440 -6.575 1.00 2.94 H new ATOM 0 HD22 LEU A 12 18.870 10.916 -7.494 1.00 2.94 H new ATOM 0 HD23 LEU A 12 17.605 10.119 -6.529 1.00 2.94 H new ATOM 193 N ASN A 13 14.191 10.314 -10.392 1.00 1.65 N ATOM 194 CA ASN A 13 13.216 10.900 -11.314 1.00 1.73 C ATOM 195 C ASN A 13 11.793 10.425 -10.926 1.00 1.62 C ATOM 196 O ASN A 13 11.463 9.269 -11.210 1.00 1.67 O ATOM 197 CB ASN A 13 13.584 10.494 -12.754 1.00 2.02 C ATOM 198 CG ASN A 13 15.008 10.905 -13.123 1.00 3.10 C ATOM 199 OD1 ASN A 13 15.319 12.074 -13.274 1.00 3.90 O ATOM 200 ND2 ASN A 13 15.921 9.959 -13.246 1.00 4.30 N ATOM 0 H ASN A 13 14.360 9.323 -10.564 1.00 1.65 H new ATOM 0 HA ASN A 13 13.231 11.988 -11.253 1.00 1.73 H new ATOM 0 HB2 ASN A 13 13.479 9.415 -12.863 1.00 2.02 H new ATOM 0 HB3 ASN A 13 12.883 10.954 -13.450 1.00 2.02 H new ATOM 0 HD21 ASN A 13 16.885 10.207 -13.467 1.00 4.30 H new ATOM 0 HD22 ASN A 13 15.662 8.981 -13.120 1.00 4.30 H new ATOM 207 N PRO A 14 10.962 11.248 -10.251 1.00 1.43 N ATOM 208 CA PRO A 14 9.643 10.831 -9.773 1.00 1.35 C ATOM 209 C PRO A 14 8.607 10.834 -10.903 1.00 1.49 C ATOM 210 O PRO A 14 8.618 11.700 -11.777 1.00 1.80 O ATOM 211 CB PRO A 14 9.286 11.823 -8.662 1.00 1.40 C ATOM 212 CG PRO A 14 9.988 13.103 -9.102 1.00 1.52 C ATOM 213 CD PRO A 14 11.268 12.587 -9.763 1.00 1.57 C ATOM 0 HA PRO A 14 9.651 9.806 -9.402 1.00 1.35 H new ATOM 0 HB2 PRO A 14 8.208 11.963 -8.578 1.00 1.40 H new ATOM 0 HB3 PRO A 14 9.640 11.483 -7.689 1.00 1.40 H new ATOM 0 HG2 PRO A 14 9.378 13.678 -9.799 1.00 1.52 H new ATOM 0 HG3 PRO A 14 10.206 13.755 -8.256 1.00 1.52 H new ATOM 0 HD2 PRO A 14 11.574 13.239 -10.581 1.00 1.57 H new ATOM 0 HD3 PRO A 14 12.092 12.563 -9.050 1.00 1.57 H new ATOM 221 N LYS A 15 7.682 9.866 -10.876 1.00 0.91 N ATOM 222 CA LYS A 15 6.676 9.666 -11.929 1.00 0.94 C ATOM 223 C LYS A 15 5.245 9.879 -11.396 1.00 1.10 C ATOM 224 O LYS A 15 4.912 9.290 -10.365 1.00 1.17 O ATOM 225 CB LYS A 15 6.830 8.245 -12.483 1.00 1.09 C ATOM 226 CG LYS A 15 6.032 8.012 -13.778 1.00 1.64 C ATOM 227 CD LYS A 15 5.834 6.527 -14.113 1.00 1.99 C ATOM 228 CE LYS A 15 4.771 5.909 -13.191 1.00 2.27 C ATOM 229 NZ LYS A 15 4.474 4.506 -13.561 1.00 2.88 N ATOM 0 H LYS A 15 7.610 9.192 -10.114 1.00 0.91 H new ATOM 0 HA LYS A 15 6.837 10.401 -12.718 1.00 0.94 H new ATOM 0 HB2 LYS A 15 7.885 8.048 -12.673 1.00 1.09 H new ATOM 0 HB3 LYS A 15 6.503 7.530 -11.728 1.00 1.09 H new ATOM 0 HG2 LYS A 15 5.056 8.489 -13.686 1.00 1.64 H new ATOM 0 HG3 LYS A 15 6.548 8.498 -14.606 1.00 1.64 H new ATOM 0 HD2 LYS A 15 5.529 6.420 -15.154 1.00 1.99 H new ATOM 0 HD3 LYS A 15 6.778 5.993 -14.001 1.00 1.99 H new ATOM 0 HE2 LYS A 15 5.118 5.947 -12.158 1.00 2.27 H new ATOM 0 HE3 LYS A 15 3.857 6.500 -13.242 1.00 2.27 H new ATOM 0 HZ1 LYS A 15 3.705 4.144 -12.961 1.00 2.88 H new ATOM 0 HZ2 LYS A 15 4.184 4.464 -14.559 1.00 2.88 H new ATOM 0 HZ3 LYS A 15 5.324 3.923 -13.423 1.00 2.88 H new ATOM 243 N PRO A 16 4.389 10.666 -12.072 1.00 0.85 N ATOM 244 CA PRO A 16 2.989 10.833 -11.696 1.00 0.92 C ATOM 245 C PRO A 16 2.231 9.526 -11.963 1.00 1.09 C ATOM 246 O PRO A 16 2.624 8.749 -12.837 1.00 0.96 O ATOM 247 CB PRO A 16 2.478 12.010 -12.531 1.00 1.12 C ATOM 248 CG PRO A 16 3.352 11.978 -13.786 1.00 1.12 C ATOM 249 CD PRO A 16 4.672 11.356 -13.321 1.00 0.98 C ATOM 0 HA PRO A 16 2.846 11.047 -10.637 1.00 0.92 H new ATOM 0 HB2 PRO A 16 1.422 11.897 -12.777 1.00 1.12 H new ATOM 0 HB3 PRO A 16 2.582 12.954 -11.996 1.00 1.12 H new ATOM 0 HG2 PRO A 16 2.891 11.385 -14.576 1.00 1.12 H new ATOM 0 HG3 PRO A 16 3.505 12.979 -14.188 1.00 1.12 H new ATOM 0 HD2 PRO A 16 5.058 10.662 -14.068 1.00 0.98 H new ATOM 0 HD3 PRO A 16 5.432 12.124 -13.176 1.00 0.98 H new ATOM 257 N VAL A 17 1.168 9.270 -11.198 1.00 0.72 N ATOM 258 CA VAL A 17 0.410 8.010 -11.160 1.00 0.69 C ATOM 259 C VAL A 17 -1.031 8.259 -10.684 1.00 1.14 C ATOM 260 O VAL A 17 -1.301 9.229 -9.975 1.00 1.24 O ATOM 261 CB VAL A 17 1.068 6.950 -10.232 1.00 0.68 C ATOM 262 CG1 VAL A 17 2.322 6.309 -10.851 1.00 0.79 C ATOM 263 CG2 VAL A 17 1.440 7.499 -8.841 1.00 0.82 C ATOM 0 H VAL A 17 0.791 9.967 -10.556 1.00 0.72 H new ATOM 0 HA VAL A 17 0.408 7.621 -12.178 1.00 0.69 H new ATOM 0 HB VAL A 17 0.294 6.191 -10.114 1.00 0.68 H new ATOM 0 HG11 VAL A 17 2.737 5.578 -10.157 1.00 0.79 H new ATOM 0 HG12 VAL A 17 2.054 5.813 -11.784 1.00 0.79 H new ATOM 0 HG13 VAL A 17 3.064 7.082 -11.051 1.00 0.79 H new ATOM 0 HG21 VAL A 17 1.894 6.706 -8.247 1.00 0.82 H new ATOM 0 HG22 VAL A 17 2.148 8.321 -8.951 1.00 0.82 H new ATOM 0 HG23 VAL A 17 0.542 7.859 -8.340 1.00 0.82 H new ATOM 273 N ASP A 18 -1.931 7.340 -11.035 1.00 0.72 N ATOM 274 CA ASP A 18 -3.286 7.209 -10.484 1.00 0.73 C ATOM 275 C ASP A 18 -3.684 5.715 -10.429 1.00 1.04 C ATOM 276 O ASP A 18 -2.943 4.844 -10.886 1.00 1.62 O ATOM 277 CB ASP A 18 -4.296 8.050 -11.314 1.00 1.02 C ATOM 278 CG ASP A 18 -5.671 8.223 -10.641 1.00 1.34 C ATOM 279 OD1 ASP A 18 -5.771 8.022 -9.414 1.00 2.24 O ATOM 280 OD2 ASP A 18 -6.667 8.598 -11.306 1.00 2.20 O ATOM 0 H ASP A 18 -1.729 6.634 -11.743 1.00 0.72 H new ATOM 0 HA ASP A 18 -3.304 7.600 -9.467 1.00 0.73 H new ATOM 0 HB2 ASP A 18 -3.867 9.035 -11.499 1.00 1.02 H new ATOM 0 HB3 ASP A 18 -4.436 7.576 -12.285 1.00 1.02 H new ATOM 285 N PHE A 19 -4.871 5.413 -9.913 1.00 0.80 N ATOM 286 CA PHE A 19 -5.617 4.195 -10.213 1.00 0.81 C ATOM 287 C PHE A 19 -7.118 4.500 -10.207 1.00 1.51 C ATOM 288 O PHE A 19 -7.552 5.536 -9.704 1.00 1.73 O ATOM 289 CB PHE A 19 -5.253 3.066 -9.228 1.00 1.04 C ATOM 290 CG PHE A 19 -5.525 3.322 -7.751 1.00 1.19 C ATOM 291 CD1 PHE A 19 -6.841 3.418 -7.258 1.00 2.22 C ATOM 292 CD2 PHE A 19 -4.447 3.415 -6.849 1.00 1.79 C ATOM 293 CE1 PHE A 19 -7.079 3.659 -5.897 1.00 2.32 C ATOM 294 CE2 PHE A 19 -4.687 3.629 -5.480 1.00 1.69 C ATOM 295 CZ PHE A 19 -6.002 3.779 -5.007 1.00 1.50 C ATOM 0 H PHE A 19 -5.354 6.026 -9.256 1.00 0.80 H new ATOM 0 HA PHE A 19 -5.344 3.842 -11.207 1.00 0.81 H new ATOM 0 HB2 PHE A 19 -5.800 2.170 -9.523 1.00 1.04 H new ATOM 0 HB3 PHE A 19 -4.192 2.845 -9.344 1.00 1.04 H new ATOM 0 HD1 PHE A 19 -7.675 3.305 -7.935 1.00 2.22 H new ATOM 0 HD2 PHE A 19 -3.433 3.322 -7.210 1.00 1.79 H new ATOM 0 HE1 PHE A 19 -8.092 3.752 -5.534 1.00 2.32 H new ATOM 0 HE2 PHE A 19 -3.858 3.678 -4.790 1.00 1.69 H new ATOM 0 HZ PHE A 19 -6.182 3.986 -3.962 1.00 1.50 H new ATOM 305 N ALA A 20 -7.923 3.550 -10.679 1.00 0.70 N ATOM 306 CA ALA A 20 -9.301 3.371 -10.243 1.00 0.67 C ATOM 307 C ALA A 20 -9.415 1.957 -9.648 1.00 0.84 C ATOM 308 O ALA A 20 -8.933 1.004 -10.255 1.00 0.87 O ATOM 309 CB ALA A 20 -10.231 3.589 -11.439 1.00 0.79 C ATOM 0 H ALA A 20 -7.629 2.875 -11.385 1.00 0.70 H new ATOM 0 HA ALA A 20 -9.592 4.091 -9.479 1.00 0.67 H new ATOM 0 HB1 ALA A 20 -11.266 3.457 -11.124 1.00 0.79 H new ATOM 0 HB2 ALA A 20 -10.095 4.599 -11.826 1.00 0.79 H new ATOM 0 HB3 ALA A 20 -9.995 2.866 -12.220 1.00 0.79 H new ATOM 315 N LEU A 21 -9.981 1.852 -8.445 1.00 0.64 N ATOM 316 CA LEU A 21 -10.199 0.599 -7.715 1.00 0.58 C ATOM 317 C LEU A 21 -11.532 0.645 -6.969 1.00 0.91 C ATOM 318 O LEU A 21 -12.006 1.718 -6.581 1.00 1.16 O ATOM 319 CB LEU A 21 -9.077 0.360 -6.685 1.00 0.55 C ATOM 320 CG LEU A 21 -7.696 -0.025 -7.242 1.00 1.17 C ATOM 321 CD1 LEU A 21 -6.666 -0.059 -6.102 1.00 3.07 C ATOM 322 CD2 LEU A 21 -7.735 -1.402 -7.912 1.00 1.27 C ATOM 0 H LEU A 21 -10.314 2.668 -7.931 1.00 0.64 H new ATOM 0 HA LEU A 21 -10.204 -0.210 -8.445 1.00 0.58 H new ATOM 0 HB2 LEU A 21 -8.963 1.266 -6.090 1.00 0.55 H new ATOM 0 HB3 LEU A 21 -9.401 -0.428 -6.006 1.00 0.55 H new ATOM 0 HG LEU A 21 -7.414 0.722 -7.984 1.00 1.17 H new ATOM 0 HD11 LEU A 21 -5.690 -0.332 -6.502 1.00 3.07 H new ATOM 0 HD12 LEU A 21 -6.605 0.925 -5.637 1.00 3.07 H new ATOM 0 HD13 LEU A 21 -6.972 -0.794 -5.357 1.00 3.07 H new ATOM 0 HD21 LEU A 21 -6.745 -1.648 -8.296 1.00 1.27 H new ATOM 0 HD22 LEU A 21 -8.038 -2.153 -7.182 1.00 1.27 H new ATOM 0 HD23 LEU A 21 -8.450 -1.386 -8.735 1.00 1.27 H new ATOM 334 N GLU A 22 -12.093 -0.534 -6.729 1.00 0.60 N ATOM 335 CA GLU A 22 -13.370 -0.750 -6.070 1.00 0.61 C ATOM 336 C GLU A 22 -13.219 -1.101 -4.589 1.00 1.01 C ATOM 337 O GLU A 22 -12.228 -1.678 -4.143 1.00 1.18 O ATOM 338 CB GLU A 22 -14.172 -1.839 -6.786 1.00 0.65 C ATOM 339 CG GLU A 22 -14.470 -1.483 -8.246 1.00 1.76 C ATOM 340 CD GLU A 22 -13.484 -2.152 -9.213 1.00 2.91 C ATOM 341 OE1 GLU A 22 -12.267 -1.897 -9.098 1.00 4.11 O ATOM 342 OE2 GLU A 22 -13.923 -2.982 -10.041 1.00 3.44 O ATOM 0 H GLU A 22 -11.645 -1.408 -7.004 1.00 0.60 H new ATOM 0 HA GLU A 22 -13.911 0.195 -6.126 1.00 0.61 H new ATOM 0 HB2 GLU A 22 -13.618 -2.777 -6.750 1.00 0.65 H new ATOM 0 HB3 GLU A 22 -15.110 -2.002 -6.256 1.00 0.65 H new ATOM 0 HG2 GLU A 22 -15.486 -1.790 -8.494 1.00 1.76 H new ATOM 0 HG3 GLU A 22 -14.424 -0.401 -8.372 1.00 1.76 H new ATOM 349 N GLY A 23 -14.248 -0.713 -3.835 1.00 0.79 N ATOM 350 CA GLY A 23 -14.293 -0.740 -2.364 1.00 0.69 C ATOM 351 C GLY A 23 -15.660 -1.148 -1.792 1.00 0.83 C ATOM 352 O GLY A 23 -16.590 -1.395 -2.562 1.00 1.15 O ATOM 0 H GLY A 23 -15.111 -0.356 -4.245 1.00 0.79 H new ATOM 0 HA2 GLY A 23 -13.535 -1.434 -1.999 1.00 0.69 H new ATOM 0 HA3 GLY A 23 -14.031 0.247 -1.984 1.00 0.69 H new ATOM 356 N PRO A 24 -15.813 -1.196 -0.450 1.00 0.59 N ATOM 357 CA PRO A 24 -16.984 -1.776 0.216 1.00 0.81 C ATOM 358 C PRO A 24 -18.248 -0.904 0.171 1.00 1.21 C ATOM 359 O PRO A 24 -19.342 -1.429 0.360 1.00 1.60 O ATOM 360 CB PRO A 24 -16.540 -1.986 1.665 1.00 0.89 C ATOM 361 CG PRO A 24 -15.558 -0.839 1.885 1.00 0.88 C ATOM 362 CD PRO A 24 -14.833 -0.763 0.540 1.00 0.65 C ATOM 0 HA PRO A 24 -17.279 -2.691 -0.298 1.00 0.81 H new ATOM 0 HB2 PRO A 24 -17.381 -1.938 2.357 1.00 0.89 H new ATOM 0 HB3 PRO A 24 -16.066 -2.957 1.807 1.00 0.89 H new ATOM 0 HG2 PRO A 24 -16.070 0.093 2.124 1.00 0.88 H new ATOM 0 HG3 PRO A 24 -14.871 -1.045 2.706 1.00 0.88 H new ATOM 0 HD2 PRO A 24 -14.489 0.251 0.335 1.00 0.65 H new ATOM 0 HD3 PRO A 24 -13.953 -1.407 0.530 1.00 0.65 H new ATOM 370 N GLN A 25 -18.128 0.409 -0.068 1.00 1.06 N ATOM 371 CA GLN A 25 -19.255 1.352 -0.070 1.00 1.35 C ATOM 372 C GLN A 25 -19.196 2.293 -1.295 1.00 1.35 C ATOM 373 O GLN A 25 -19.723 3.402 -1.263 1.00 1.62 O ATOM 374 CB GLN A 25 -19.273 2.095 1.284 1.00 1.87 C ATOM 375 CG GLN A 25 -20.671 2.612 1.663 1.00 3.06 C ATOM 376 CD GLN A 25 -20.672 3.313 3.022 1.00 3.51 C ATOM 377 OE1 GLN A 25 -20.928 2.724 4.056 1.00 4.55 O ATOM 378 NE2 GLN A 25 -20.373 4.592 3.086 1.00 3.50 N ATOM 0 H GLN A 25 -17.232 0.853 -0.268 1.00 1.06 H new ATOM 0 HA GLN A 25 -20.200 0.818 -0.172 1.00 1.35 H new ATOM 0 HB2 GLN A 25 -18.915 1.425 2.065 1.00 1.87 H new ATOM 0 HB3 GLN A 25 -18.580 2.935 1.241 1.00 1.87 H new ATOM 0 HG2 GLN A 25 -21.022 3.304 0.897 1.00 3.06 H new ATOM 0 HG3 GLN A 25 -21.373 1.778 1.684 1.00 3.06 H new ATOM 0 HE21 GLN A 25 -20.155 5.108 2.234 1.00 3.50 H new ATOM 0 HE22 GLN A 25 -20.359 5.068 3.988 1.00 3.50 H new ATOM 387 N GLY A 26 -18.525 1.855 -2.369 1.00 1.11 N ATOM 388 CA GLY A 26 -18.195 2.648 -3.557 1.00 1.11 C ATOM 389 C GLY A 26 -16.716 2.507 -3.967 1.00 1.24 C ATOM 390 O GLY A 26 -15.911 2.020 -3.169 1.00 1.45 O ATOM 0 H GLY A 26 -18.183 0.896 -2.435 1.00 1.11 H new ATOM 0 HA2 GLY A 26 -18.830 2.336 -4.386 1.00 1.11 H new ATOM 0 HA3 GLY A 26 -18.417 3.697 -3.363 1.00 1.11 H new ATOM 394 N PRO A 27 -16.356 2.899 -5.206 1.00 1.15 N ATOM 395 CA PRO A 27 -14.987 2.890 -5.718 1.00 1.41 C ATOM 396 C PRO A 27 -14.223 4.173 -5.361 1.00 1.39 C ATOM 397 O PRO A 27 -14.818 5.174 -4.963 1.00 1.34 O ATOM 398 CB PRO A 27 -15.152 2.752 -7.234 1.00 1.48 C ATOM 399 CG PRO A 27 -16.413 3.576 -7.501 1.00 1.24 C ATOM 400 CD PRO A 27 -17.275 3.290 -6.267 1.00 1.07 C ATOM 0 HA PRO A 27 -14.400 2.083 -5.281 1.00 1.41 H new ATOM 0 HB2 PRO A 27 -14.289 3.142 -7.774 1.00 1.48 H new ATOM 0 HB3 PRO A 27 -15.274 1.712 -7.537 1.00 1.48 H new ATOM 0 HG2 PRO A 27 -16.188 4.638 -7.600 1.00 1.24 H new ATOM 0 HG3 PRO A 27 -16.910 3.268 -8.421 1.00 1.24 H new ATOM 0 HD2 PRO A 27 -17.847 4.172 -5.980 1.00 1.07 H new ATOM 0 HD3 PRO A 27 -17.994 2.496 -6.471 1.00 1.07 H new ATOM 408 N VAL A 28 -12.900 4.152 -5.548 1.00 0.86 N ATOM 409 CA VAL A 28 -12.013 5.299 -5.301 1.00 0.73 C ATOM 410 C VAL A 28 -10.904 5.380 -6.359 1.00 0.92 C ATOM 411 O VAL A 28 -10.666 4.427 -7.106 1.00 0.92 O ATOM 412 CB VAL A 28 -11.473 5.263 -3.843 1.00 1.04 C ATOM 413 CG1 VAL A 28 -10.134 4.520 -3.694 1.00 1.47 C ATOM 414 CG2 VAL A 28 -11.337 6.683 -3.270 1.00 2.61 C ATOM 0 H VAL A 28 -12.404 3.325 -5.881 1.00 0.86 H new ATOM 0 HA VAL A 28 -12.586 6.221 -5.400 1.00 0.73 H new ATOM 0 HB VAL A 28 -12.214 4.700 -3.276 1.00 1.04 H new ATOM 0 HG11 VAL A 28 -9.822 4.538 -2.650 1.00 1.47 H new ATOM 0 HG12 VAL A 28 -10.253 3.487 -4.020 1.00 1.47 H new ATOM 0 HG13 VAL A 28 -9.377 5.009 -4.307 1.00 1.47 H new ATOM 0 HG21 VAL A 28 -10.958 6.629 -2.250 1.00 2.61 H new ATOM 0 HG22 VAL A 28 -10.645 7.259 -3.884 1.00 2.61 H new ATOM 0 HG23 VAL A 28 -12.312 7.170 -3.269 1.00 2.61 H new ATOM 424 N ARG A 29 -10.205 6.517 -6.394 1.00 0.67 N ATOM 425 CA ARG A 29 -8.975 6.724 -7.165 1.00 0.66 C ATOM 426 C ARG A 29 -7.846 7.229 -6.264 1.00 1.18 C ATOM 427 O ARG A 29 -8.108 7.889 -5.256 1.00 1.41 O ATOM 428 CB ARG A 29 -9.193 7.766 -8.273 1.00 0.72 C ATOM 429 CG ARG A 29 -10.246 7.396 -9.321 1.00 0.84 C ATOM 430 CD ARG A 29 -10.284 8.502 -10.384 1.00 1.23 C ATOM 431 NE ARG A 29 -10.875 8.027 -11.647 1.00 2.08 N ATOM 432 CZ ARG A 29 -10.195 7.541 -12.683 1.00 3.23 C ATOM 433 NH1 ARG A 29 -8.878 7.465 -12.703 1.00 3.79 N ATOM 434 NH2 ARG A 29 -10.853 7.111 -13.742 1.00 4.62 N ATOM 0 H ARG A 29 -10.488 7.345 -5.870 1.00 0.67 H new ATOM 0 HA ARG A 29 -8.706 5.762 -7.602 1.00 0.66 H new ATOM 0 HB2 ARG A 29 -9.481 8.710 -7.810 1.00 0.72 H new ATOM 0 HB3 ARG A 29 -8.244 7.937 -8.780 1.00 0.72 H new ATOM 0 HG2 ARG A 29 -10.003 6.438 -9.780 1.00 0.84 H new ATOM 0 HG3 ARG A 29 -11.224 7.287 -8.853 1.00 0.84 H new ATOM 0 HD2 ARG A 29 -10.860 9.347 -10.008 1.00 1.23 H new ATOM 0 HD3 ARG A 29 -9.272 8.863 -10.569 1.00 1.23 H new ATOM 0 HE ARG A 29 -11.890 8.074 -11.735 1.00 2.08 H new ATOM 0 HH11 ARG A 29 -8.336 7.787 -11.901 1.00 3.79 H new ATOM 0 HH12 ARG A 29 -8.401 7.084 -13.521 1.00 3.79 H new ATOM 0 HH21 ARG A 29 -11.872 7.153 -13.761 1.00 4.62 H new ATOM 0 HH22 ARG A 29 -10.343 6.736 -14.542 1.00 4.62 H new ATOM 448 N LEU A 30 -6.588 7.046 -6.664 1.00 0.64 N ATOM 449 CA LEU A 30 -5.464 7.708 -5.989 1.00 0.66 C ATOM 450 C LEU A 30 -5.493 9.232 -6.184 1.00 0.97 C ATOM 451 O LEU A 30 -5.098 9.979 -5.298 1.00 1.09 O ATOM 452 CB LEU A 30 -4.156 7.106 -6.514 1.00 0.76 C ATOM 453 CG LEU A 30 -2.874 7.674 -5.876 1.00 0.89 C ATOM 454 CD1 LEU A 30 -2.845 7.448 -4.356 1.00 2.10 C ATOM 455 CD2 LEU A 30 -1.688 6.971 -6.536 1.00 1.82 C ATOM 0 H LEU A 30 -6.319 6.450 -7.447 1.00 0.64 H new ATOM 0 HA LEU A 30 -5.544 7.537 -4.916 1.00 0.66 H new ATOM 0 HB2 LEU A 30 -4.178 6.029 -6.350 1.00 0.76 H new ATOM 0 HB3 LEU A 30 -4.108 7.264 -7.591 1.00 0.76 H new ATOM 0 HG LEU A 30 -2.833 8.752 -6.034 1.00 0.89 H new ATOM 0 HD11 LEU A 30 -1.925 7.863 -3.944 1.00 2.10 H new ATOM 0 HD12 LEU A 30 -3.702 7.941 -3.898 1.00 2.10 H new ATOM 0 HD13 LEU A 30 -2.887 6.379 -4.146 1.00 2.10 H new ATOM 0 HD21 LEU A 30 -0.758 7.348 -6.109 1.00 1.82 H new ATOM 0 HD22 LEU A 30 -1.759 5.897 -6.362 1.00 1.82 H new ATOM 0 HD23 LEU A 30 -1.700 7.166 -7.608 1.00 1.82 H new ATOM 467 N SER A 31 -6.017 9.710 -7.307 1.00 0.76 N ATOM 468 CA SER A 31 -6.212 11.129 -7.616 1.00 0.92 C ATOM 469 C SER A 31 -7.213 11.827 -6.682 1.00 1.15 C ATOM 470 O SER A 31 -7.227 13.057 -6.649 1.00 1.54 O ATOM 471 CB SER A 31 -6.592 11.296 -9.100 1.00 1.13 C ATOM 472 OG SER A 31 -7.620 10.407 -9.522 1.00 1.43 O ATOM 0 H SER A 31 -6.332 9.098 -8.060 1.00 0.76 H new ATOM 0 HA SER A 31 -5.262 11.633 -7.437 1.00 0.92 H new ATOM 0 HB2 SER A 31 -6.916 12.322 -9.271 1.00 1.13 H new ATOM 0 HB3 SER A 31 -5.707 11.134 -9.715 1.00 1.13 H new ATOM 0 HG SER A 31 -7.294 9.860 -10.267 1.00 1.43 H new ATOM 478 N GLN A 32 -7.977 11.087 -5.860 1.00 0.85 N ATOM 479 CA GLN A 32 -8.758 11.676 -4.764 1.00 0.96 C ATOM 480 C GLN A 32 -7.886 12.092 -3.564 1.00 1.32 C ATOM 481 O GLN A 32 -8.383 12.777 -2.676 1.00 1.44 O ATOM 482 CB GLN A 32 -9.849 10.707 -4.265 1.00 1.00 C ATOM 483 CG GLN A 32 -10.715 9.989 -5.316 1.00 1.44 C ATOM 484 CD GLN A 32 -11.273 10.864 -6.433 1.00 2.52 C ATOM 485 OE1 GLN A 32 -11.195 10.536 -7.606 1.00 3.23 O ATOM 486 NE2 GLN A 32 -11.872 11.991 -6.125 1.00 3.27 N ATOM 0 H GLN A 32 -8.069 10.074 -5.937 1.00 0.85 H new ATOM 0 HA GLN A 32 -9.218 12.571 -5.184 1.00 0.96 H new ATOM 0 HB2 GLN A 32 -9.365 9.945 -3.655 1.00 1.00 H new ATOM 0 HB3 GLN A 32 -10.516 11.265 -3.608 1.00 1.00 H new ATOM 0 HG2 GLN A 32 -10.120 9.194 -5.767 1.00 1.44 H new ATOM 0 HG3 GLN A 32 -11.550 9.511 -4.804 1.00 1.44 H new ATOM 0 HE21 GLN A 32 -11.946 12.279 -5.149 1.00 3.27 H new ATOM 0 HE22 GLN A 32 -12.264 12.578 -6.861 1.00 3.27 H new ATOM 495 N PHE A 33 -6.613 11.674 -3.514 1.00 0.87 N ATOM 496 CA PHE A 33 -5.697 11.852 -2.381 1.00 0.97 C ATOM 497 C PHE A 33 -4.316 12.392 -2.817 1.00 2.00 C ATOM 498 O PHE A 33 -3.305 12.120 -2.168 1.00 2.45 O ATOM 499 CB PHE A 33 -5.542 10.499 -1.656 1.00 1.14 C ATOM 500 CG PHE A 33 -6.824 9.760 -1.318 1.00 1.06 C ATOM 501 CD1 PHE A 33 -7.756 10.322 -0.423 1.00 2.12 C ATOM 502 CD2 PHE A 33 -7.072 8.490 -1.876 1.00 2.06 C ATOM 503 CE1 PHE A 33 -8.927 9.618 -0.090 1.00 2.34 C ATOM 504 CE2 PHE A 33 -8.237 7.786 -1.536 1.00 1.96 C ATOM 505 CZ PHE A 33 -9.168 8.347 -0.646 1.00 1.52 C ATOM 0 H PHE A 33 -6.177 11.183 -4.294 1.00 0.87 H new ATOM 0 HA PHE A 33 -6.122 12.598 -1.710 1.00 0.97 H new ATOM 0 HB2 PHE A 33 -4.927 9.848 -2.277 1.00 1.14 H new ATOM 0 HB3 PHE A 33 -4.992 10.669 -0.730 1.00 1.14 H new ATOM 0 HD1 PHE A 33 -7.571 11.295 0.008 1.00 2.12 H new ATOM 0 HD2 PHE A 33 -6.364 8.058 -2.567 1.00 2.06 H new ATOM 0 HE1 PHE A 33 -9.642 10.053 0.593 1.00 2.34 H new ATOM 0 HE2 PHE A 33 -8.419 6.809 -1.960 1.00 1.96 H new ATOM 0 HZ PHE A 33 -10.066 7.805 -0.389 1.00 1.52 H new ATOM 515 N GLN A 34 -4.249 13.110 -3.940 1.00 0.80 N ATOM 516 CA GLN A 34 -2.985 13.476 -4.598 1.00 0.97 C ATOM 517 C GLN A 34 -2.016 14.307 -3.727 1.00 1.36 C ATOM 518 O GLN A 34 -0.822 14.031 -3.750 1.00 2.14 O ATOM 519 CB GLN A 34 -3.275 14.121 -5.965 1.00 1.02 C ATOM 520 CG GLN A 34 -4.139 15.394 -5.913 1.00 1.44 C ATOM 521 CD GLN A 34 -4.617 15.799 -7.306 1.00 1.77 C ATOM 522 OE1 GLN A 34 -4.010 16.583 -8.017 1.00 2.36 O ATOM 523 NE2 GLN A 34 -5.703 15.238 -7.789 1.00 2.92 N ATOM 0 H GLN A 34 -5.076 13.459 -4.425 1.00 0.80 H new ATOM 0 HA GLN A 34 -2.434 12.549 -4.759 1.00 0.97 H new ATOM 0 HB2 GLN A 34 -2.326 14.363 -6.444 1.00 1.02 H new ATOM 0 HB3 GLN A 34 -3.774 13.387 -6.598 1.00 1.02 H new ATOM 0 HG2 GLN A 34 -5.000 15.225 -5.266 1.00 1.44 H new ATOM 0 HG3 GLN A 34 -3.564 16.208 -5.473 1.00 1.44 H new ATOM 0 HE21 GLN A 34 -6.233 14.578 -7.219 1.00 2.92 H new ATOM 0 HE22 GLN A 34 -6.016 15.462 -8.733 1.00 2.92 H new ATOM 532 N ASP A 35 -2.507 15.249 -2.920 1.00 1.08 N ATOM 533 CA ASP A 35 -1.779 16.099 -1.958 1.00 1.34 C ATOM 534 C ASP A 35 -0.925 15.319 -0.939 1.00 1.62 C ATOM 535 O ASP A 35 -0.011 15.855 -0.302 1.00 1.96 O ATOM 536 CB ASP A 35 -2.817 16.866 -1.101 1.00 1.54 C ATOM 537 CG ASP A 35 -3.934 17.594 -1.855 1.00 2.24 C ATOM 538 OD1 ASP A 35 -4.639 16.920 -2.645 1.00 3.63 O ATOM 539 OD2 ASP A 35 -4.129 18.789 -1.535 1.00 2.87 O ATOM 0 H ASP A 35 -3.505 15.459 -2.917 1.00 1.08 H new ATOM 0 HA ASP A 35 -1.125 16.729 -2.561 1.00 1.34 H new ATOM 0 HB2 ASP A 35 -3.278 16.158 -0.412 1.00 1.54 H new ATOM 0 HB3 ASP A 35 -2.283 17.598 -0.496 1.00 1.54 H new ATOM 544 N LYS A 36 -1.326 14.079 -0.677 1.00 1.24 N ATOM 545 CA LYS A 36 -1.013 13.379 0.558 1.00 1.21 C ATOM 546 C LYS A 36 0.182 12.425 0.449 1.00 1.44 C ATOM 547 O LYS A 36 0.643 12.035 -0.623 1.00 1.68 O ATOM 548 CB LYS A 36 -2.292 12.733 1.084 1.00 1.28 C ATOM 549 CG LYS A 36 -3.275 13.813 1.544 1.00 1.51 C ATOM 550 CD LYS A 36 -4.173 13.184 2.598 1.00 1.68 C ATOM 551 CE LYS A 36 -5.560 13.818 2.624 1.00 1.93 C ATOM 552 NZ LYS A 36 -5.514 15.196 3.166 1.00 1.87 N ATOM 0 H LYS A 36 -1.885 13.527 -1.327 1.00 1.24 H new ATOM 0 HA LYS A 36 -0.663 14.101 1.296 1.00 1.21 H new ATOM 0 HB2 LYS A 36 -2.748 12.123 0.304 1.00 1.28 H new ATOM 0 HB3 LYS A 36 -2.057 12.066 1.914 1.00 1.28 H new ATOM 0 HG2 LYS A 36 -2.741 14.670 1.955 1.00 1.51 H new ATOM 0 HG3 LYS A 36 -3.865 14.179 0.704 1.00 1.51 H new ATOM 0 HD2 LYS A 36 -4.267 12.116 2.403 1.00 1.68 H new ATOM 0 HD3 LYS A 36 -3.709 13.289 3.579 1.00 1.68 H new ATOM 0 HE2 LYS A 36 -5.973 13.836 1.615 1.00 1.93 H new ATOM 0 HE3 LYS A 36 -6.229 13.209 3.231 1.00 1.93 H new ATOM 0 HZ1 LYS A 36 -6.480 15.518 3.377 1.00 1.87 H new ATOM 0 HZ2 LYS A 36 -4.947 15.207 4.038 1.00 1.87 H new ATOM 0 HZ3 LYS A 36 -5.083 15.831 2.464 1.00 1.87 H new ATOM 566 N VAL A 37 0.629 11.990 1.615 1.00 1.06 N ATOM 567 CA VAL A 37 1.772 11.123 1.878 1.00 1.12 C ATOM 568 C VAL A 37 1.164 9.720 1.916 1.00 1.40 C ATOM 569 O VAL A 37 0.916 9.137 2.970 1.00 1.95 O ATOM 570 CB VAL A 37 2.454 11.511 3.219 1.00 1.02 C ATOM 571 CG1 VAL A 37 3.743 10.710 3.442 1.00 1.37 C ATOM 572 CG2 VAL A 37 2.761 13.018 3.313 1.00 1.18 C ATOM 0 H VAL A 37 0.161 12.257 2.481 1.00 1.06 H new ATOM 0 HA VAL A 37 2.559 11.201 1.128 1.00 1.12 H new ATOM 0 HB VAL A 37 1.737 11.265 4.003 1.00 1.02 H new ATOM 0 HG11 VAL A 37 4.196 11.005 4.389 1.00 1.37 H new ATOM 0 HG12 VAL A 37 3.510 9.645 3.467 1.00 1.37 H new ATOM 0 HG13 VAL A 37 4.441 10.909 2.629 1.00 1.37 H new ATOM 0 HG21 VAL A 37 3.237 13.233 4.270 1.00 1.18 H new ATOM 0 HG22 VAL A 37 3.431 13.304 2.502 1.00 1.18 H new ATOM 0 HG23 VAL A 37 1.833 13.584 3.234 1.00 1.18 H new ATOM 582 N VAL A 38 0.777 9.268 0.721 1.00 0.75 N ATOM 583 CA VAL A 38 -0.058 8.076 0.520 1.00 0.70 C ATOM 584 C VAL A 38 0.823 6.892 0.166 1.00 0.99 C ATOM 585 O VAL A 38 1.688 6.977 -0.711 1.00 0.97 O ATOM 586 CB VAL A 38 -1.152 8.266 -0.556 1.00 0.83 C ATOM 587 CG1 VAL A 38 -1.985 6.988 -0.779 1.00 0.99 C ATOM 588 CG2 VAL A 38 -2.106 9.395 -0.156 1.00 1.27 C ATOM 0 H VAL A 38 1.039 9.727 -0.152 1.00 0.75 H new ATOM 0 HA VAL A 38 -0.581 7.893 1.459 1.00 0.70 H new ATOM 0 HB VAL A 38 -0.632 8.511 -1.482 1.00 0.83 H new ATOM 0 HG11 VAL A 38 -2.739 7.174 -1.544 1.00 0.99 H new ATOM 0 HG12 VAL A 38 -1.331 6.179 -1.104 1.00 0.99 H new ATOM 0 HG13 VAL A 38 -2.475 6.706 0.153 1.00 0.99 H new ATOM 0 HG21 VAL A 38 -2.870 9.515 -0.924 1.00 1.27 H new ATOM 0 HG22 VAL A 38 -2.582 9.150 0.793 1.00 1.27 H new ATOM 0 HG23 VAL A 38 -1.546 10.325 -0.052 1.00 1.27 H new ATOM 598 N LEU A 39 0.564 5.780 0.850 1.00 0.78 N ATOM 599 CA LEU A 39 1.235 4.502 0.644 1.00 0.92 C ATOM 600 C LEU A 39 0.257 3.488 0.044 1.00 1.31 C ATOM 601 O LEU A 39 -0.822 3.250 0.586 1.00 1.33 O ATOM 602 CB LEU A 39 1.820 3.988 1.973 1.00 1.10 C ATOM 603 CG LEU A 39 2.937 4.879 2.567 1.00 1.22 C ATOM 604 CD1 LEU A 39 2.400 5.923 3.558 1.00 1.92 C ATOM 605 CD2 LEU A 39 3.969 4.005 3.292 1.00 1.28 C ATOM 0 H LEU A 39 -0.141 5.744 1.586 1.00 0.78 H new ATOM 0 HA LEU A 39 2.058 4.639 -0.057 1.00 0.92 H new ATOM 0 HB2 LEU A 39 1.014 3.903 2.702 1.00 1.10 H new ATOM 0 HB3 LEU A 39 2.217 2.985 1.817 1.00 1.10 H new ATOM 0 HG LEU A 39 3.392 5.410 1.731 1.00 1.22 H new ATOM 0 HD11 LEU A 39 3.228 6.519 3.943 1.00 1.92 H new ATOM 0 HD12 LEU A 39 1.689 6.575 3.050 1.00 1.92 H new ATOM 0 HD13 LEU A 39 1.902 5.417 4.385 1.00 1.92 H new ATOM 0 HD21 LEU A 39 4.753 4.637 3.708 1.00 1.28 H new ATOM 0 HD22 LEU A 39 3.480 3.456 4.097 1.00 1.28 H new ATOM 0 HD23 LEU A 39 4.408 3.300 2.587 1.00 1.28 H new ATOM 617 N LEU A 40 0.673 2.825 -1.034 1.00 0.81 N ATOM 618 CA LEU A 40 0.018 1.621 -1.542 1.00 0.61 C ATOM 619 C LEU A 40 0.759 0.396 -1.019 1.00 0.88 C ATOM 620 O LEU A 40 1.985 0.411 -0.917 1.00 1.05 O ATOM 621 CB LEU A 40 0.048 1.573 -3.077 1.00 0.86 C ATOM 622 CG LEU A 40 -1.087 2.327 -3.786 1.00 0.88 C ATOM 623 CD1 LEU A 40 -0.848 3.840 -3.790 1.00 2.61 C ATOM 624 CD2 LEU A 40 -1.168 1.771 -5.211 1.00 2.35 C ATOM 0 H LEU A 40 1.482 3.112 -1.585 1.00 0.81 H new ATOM 0 HA LEU A 40 -1.019 1.633 -1.206 1.00 0.61 H new ATOM 0 HB2 LEU A 40 1.000 1.982 -3.417 1.00 0.86 H new ATOM 0 HB3 LEU A 40 0.019 0.530 -3.391 1.00 0.86 H new ATOM 0 HG LEU A 40 -2.029 2.177 -3.259 1.00 0.88 H new ATOM 0 HD11 LEU A 40 -1.673 4.337 -4.301 1.00 2.61 H new ATOM 0 HD12 LEU A 40 -0.786 4.201 -2.763 1.00 2.61 H new ATOM 0 HD13 LEU A 40 0.085 4.060 -4.309 1.00 2.61 H new ATOM 0 HD21 LEU A 40 -1.964 2.279 -5.755 1.00 2.35 H new ATOM 0 HD22 LEU A 40 -0.218 1.935 -5.720 1.00 2.35 H new ATOM 0 HD23 LEU A 40 -1.379 0.702 -5.173 1.00 2.35 H new ATOM 636 N PHE A 41 0.024 -0.683 -0.781 1.00 0.52 N ATOM 637 CA PHE A 41 0.565 -1.995 -0.422 1.00 0.47 C ATOM 638 C PHE A 41 -0.229 -3.102 -1.123 1.00 1.35 C ATOM 639 O PHE A 41 -1.448 -3.215 -0.943 1.00 1.65 O ATOM 640 CB PHE A 41 0.555 -2.156 1.110 1.00 0.50 C ATOM 641 CG PHE A 41 1.110 -3.458 1.679 1.00 0.69 C ATOM 642 CD1 PHE A 41 2.097 -4.207 1.004 1.00 1.88 C ATOM 643 CD2 PHE A 41 0.655 -3.904 2.936 1.00 2.14 C ATOM 644 CE1 PHE A 41 2.604 -5.390 1.566 1.00 1.72 C ATOM 645 CE2 PHE A 41 1.167 -5.086 3.505 1.00 2.30 C ATOM 646 CZ PHE A 41 2.140 -5.831 2.819 1.00 0.99 C ATOM 0 H PHE A 41 -0.995 -0.673 -0.833 1.00 0.52 H new ATOM 0 HA PHE A 41 1.598 -2.075 -0.759 1.00 0.47 H new ATOM 0 HB2 PHE A 41 1.123 -1.331 1.540 1.00 0.50 H new ATOM 0 HB3 PHE A 41 -0.474 -2.049 1.454 1.00 0.50 H new ATOM 0 HD1 PHE A 41 2.466 -3.868 0.047 1.00 1.88 H new ATOM 0 HD2 PHE A 41 -0.093 -3.334 3.468 1.00 2.14 H new ATOM 0 HE1 PHE A 41 3.351 -5.962 1.036 1.00 1.72 H new ATOM 0 HE2 PHE A 41 0.811 -5.420 4.469 1.00 2.30 H new ATOM 0 HZ PHE A 41 2.531 -6.740 3.252 1.00 0.99 H new ATOM 656 N PHE A 42 0.470 -3.915 -1.919 1.00 0.52 N ATOM 657 CA PHE A 42 -0.119 -4.995 -2.715 1.00 0.55 C ATOM 658 C PHE A 42 0.040 -6.316 -1.957 1.00 1.78 C ATOM 659 O PHE A 42 1.165 -6.767 -1.715 1.00 2.18 O ATOM 660 CB PHE A 42 0.547 -5.022 -4.100 1.00 0.60 C ATOM 661 CG PHE A 42 0.210 -3.824 -4.973 1.00 0.69 C ATOM 662 CD1 PHE A 42 0.907 -2.609 -4.817 1.00 2.02 C ATOM 663 CD2 PHE A 42 -0.796 -3.923 -5.954 1.00 1.75 C ATOM 664 CE1 PHE A 42 0.620 -1.512 -5.653 1.00 2.09 C ATOM 665 CE2 PHE A 42 -1.085 -2.827 -6.788 1.00 1.59 C ATOM 666 CZ PHE A 42 -0.373 -1.623 -6.643 1.00 0.93 C ATOM 0 H PHE A 42 1.481 -3.840 -2.030 1.00 0.52 H new ATOM 0 HA PHE A 42 -1.185 -4.832 -2.871 1.00 0.55 H new ATOM 0 HB2 PHE A 42 1.628 -5.071 -3.971 1.00 0.60 H new ATOM 0 HB3 PHE A 42 0.246 -5.932 -4.619 1.00 0.60 H new ATOM 0 HD1 PHE A 42 1.665 -2.518 -4.053 1.00 2.02 H new ATOM 0 HD2 PHE A 42 -1.348 -4.844 -6.067 1.00 1.75 H new ATOM 0 HE1 PHE A 42 1.162 -0.586 -5.534 1.00 2.09 H new ATOM 0 HE2 PHE A 42 -1.855 -2.911 -7.541 1.00 1.59 H new ATOM 0 HZ PHE A 42 -0.588 -0.786 -7.290 1.00 0.93 H new ATOM 676 N GLY A 43 -1.100 -6.865 -1.515 1.00 0.60 N ATOM 677 CA GLY A 43 -1.251 -8.037 -0.641 1.00 0.71 C ATOM 678 C GLY A 43 -2.511 -8.871 -0.917 1.00 0.81 C ATOM 679 O GLY A 43 -3.290 -8.594 -1.828 1.00 0.84 O ATOM 0 H GLY A 43 -2.005 -6.474 -1.777 1.00 0.60 H new ATOM 0 HA2 GLY A 43 -0.375 -8.675 -0.754 1.00 0.71 H new ATOM 0 HA3 GLY A 43 -1.270 -7.702 0.396 1.00 0.71 H new ATOM 683 N PHE A 44 -2.762 -9.872 -0.068 1.00 0.97 N ATOM 684 CA PHE A 44 -4.088 -10.495 0.052 1.00 1.11 C ATOM 685 C PHE A 44 -4.441 -10.891 1.500 1.00 1.84 C ATOM 686 O PHE A 44 -3.552 -11.137 2.323 1.00 2.56 O ATOM 687 CB PHE A 44 -4.256 -11.636 -0.977 1.00 1.29 C ATOM 688 CG PHE A 44 -3.081 -12.581 -1.211 1.00 1.45 C ATOM 689 CD1 PHE A 44 -2.418 -13.199 -0.134 1.00 3.02 C ATOM 690 CD2 PHE A 44 -2.672 -12.883 -2.526 1.00 2.53 C ATOM 691 CE1 PHE A 44 -1.376 -14.112 -0.368 1.00 4.04 C ATOM 692 CE2 PHE A 44 -1.640 -13.807 -2.757 1.00 3.69 C ATOM 693 CZ PHE A 44 -0.985 -14.422 -1.679 1.00 4.19 C ATOM 0 H PHE A 44 -2.059 -10.273 0.553 1.00 0.97 H new ATOM 0 HA PHE A 44 -4.833 -9.741 -0.201 1.00 1.11 H new ATOM 0 HB2 PHE A 44 -5.110 -12.239 -0.668 1.00 1.29 H new ATOM 0 HB3 PHE A 44 -4.514 -11.184 -1.935 1.00 1.29 H new ATOM 0 HD1 PHE A 44 -2.712 -12.970 0.879 1.00 3.02 H new ATOM 0 HD2 PHE A 44 -3.156 -12.400 -3.362 1.00 2.53 H new ATOM 0 HE1 PHE A 44 -0.873 -14.578 0.466 1.00 4.04 H new ATOM 0 HE2 PHE A 44 -1.349 -14.045 -3.769 1.00 3.69 H new ATOM 0 HZ PHE A 44 -0.187 -15.128 -1.857 1.00 4.19 H new ATOM 703 N THR A 45 -5.746 -10.940 1.815 1.00 1.00 N ATOM 704 CA THR A 45 -6.292 -11.404 3.117 1.00 1.14 C ATOM 705 C THR A 45 -5.969 -12.862 3.397 1.00 1.57 C ATOM 706 O THR A 45 -5.795 -13.237 4.553 1.00 2.21 O ATOM 707 CB THR A 45 -7.813 -11.264 3.182 1.00 1.23 C ATOM 708 OG1 THR A 45 -8.394 -11.854 2.051 1.00 1.78 O ATOM 709 CG2 THR A 45 -8.247 -9.808 3.272 1.00 1.09 C ATOM 0 H THR A 45 -6.474 -10.653 1.161 1.00 1.00 H new ATOM 0 HA THR A 45 -5.816 -10.766 3.862 1.00 1.14 H new ATOM 0 HB THR A 45 -8.151 -11.772 4.085 1.00 1.23 H new ATOM 0 HG1 THR A 45 -9.005 -11.216 1.626 1.00 1.78 H new ATOM 0 HG21 THR A 45 -9.335 -9.755 3.316 1.00 1.09 H new ATOM 0 HG22 THR A 45 -7.825 -9.357 4.170 1.00 1.09 H new ATOM 0 HG23 THR A 45 -7.893 -9.268 2.394 1.00 1.09 H new ATOM 717 N ARG A 46 -5.796 -13.646 2.334 1.00 1.67 N ATOM 718 CA ARG A 46 -5.180 -14.975 2.265 1.00 2.11 C ATOM 719 C ARG A 46 -3.672 -14.946 2.632 1.00 1.91 C ATOM 720 O ARG A 46 -2.823 -15.497 1.931 1.00 2.84 O ATOM 721 CB ARG A 46 -5.442 -15.448 0.828 1.00 2.73 C ATOM 722 CG ARG A 46 -5.171 -16.934 0.577 1.00 3.52 C ATOM 723 CD ARG A 46 -5.184 -17.175 -0.929 1.00 4.97 C ATOM 724 NE ARG A 46 -4.502 -18.429 -1.246 1.00 5.90 N ATOM 725 CZ ARG A 46 -4.450 -19.006 -2.431 1.00 7.25 C ATOM 726 NH1 ARG A 46 -5.010 -18.512 -3.514 1.00 8.00 N ATOM 727 NH2 ARG A 46 -3.804 -20.142 -2.520 1.00 8.06 N ATOM 0 H ARG A 46 -6.112 -13.341 1.413 1.00 1.67 H new ATOM 0 HA ARG A 46 -5.606 -15.664 2.994 1.00 2.11 H new ATOM 0 HB2 ARG A 46 -6.481 -15.236 0.575 1.00 2.73 H new ATOM 0 HB3 ARG A 46 -4.823 -14.861 0.150 1.00 2.73 H new ATOM 0 HG2 ARG A 46 -4.208 -17.221 0.999 1.00 3.52 H new ATOM 0 HG3 ARG A 46 -5.929 -17.546 1.066 1.00 3.52 H new ATOM 0 HD2 ARG A 46 -6.212 -17.210 -1.290 1.00 4.97 H new ATOM 0 HD3 ARG A 46 -4.694 -16.347 -1.441 1.00 4.97 H new ATOM 0 HE ARG A 46 -4.022 -18.901 -0.480 1.00 5.90 H new ATOM 0 HH11 ARG A 46 -5.522 -17.631 -3.467 1.00 8.00 H new ATOM 0 HH12 ARG A 46 -4.932 -19.010 -4.401 1.00 8.00 H new ATOM 0 HH21 ARG A 46 -3.366 -20.546 -1.692 1.00 8.06 H new ATOM 0 HH22 ARG A 46 -3.739 -20.623 -3.417 1.00 8.06 H new ATOM 741 N CYS A 47 -3.303 -14.194 3.665 1.00 1.53 N ATOM 742 CA CYS A 47 -1.943 -13.756 3.952 1.00 1.68 C ATOM 743 C CYS A 47 -0.963 -14.907 4.265 1.00 1.59 C ATOM 744 O CYS A 47 -1.362 -15.895 4.888 1.00 2.27 O ATOM 745 CB CYS A 47 -2.029 -12.758 5.113 1.00 2.71 C ATOM 746 SG CYS A 47 -2.817 -13.488 6.578 1.00 5.29 S ATOM 0 H CYS A 47 -3.975 -13.859 4.355 1.00 1.53 H new ATOM 0 HA CYS A 47 -1.527 -13.292 3.057 1.00 1.68 H new ATOM 0 HB2 CYS A 47 -1.027 -12.416 5.372 1.00 2.71 H new ATOM 0 HB3 CYS A 47 -2.593 -11.881 4.797 1.00 2.71 H new ATOM 0 HG CYS A 47 -2.610 -14.771 6.588 1.00 5.29 H new ATOM 752 N PRO A 48 0.337 -14.735 3.948 1.00 1.51 N ATOM 753 CA PRO A 48 1.412 -15.358 4.690 1.00 1.89 C ATOM 754 C PRO A 48 1.599 -14.499 5.955 1.00 1.82 C ATOM 755 O PRO A 48 0.624 -14.126 6.602 1.00 2.39 O ATOM 756 CB PRO A 48 2.588 -15.343 3.706 1.00 2.74 C ATOM 757 CG PRO A 48 2.438 -13.967 3.056 1.00 2.78 C ATOM 758 CD PRO A 48 0.921 -13.758 3.032 1.00 2.19 C ATOM 0 HA PRO A 48 1.263 -16.382 5.032 1.00 1.89 H new ATOM 0 HB2 PRO A 48 3.546 -15.453 4.213 1.00 2.74 H new ATOM 0 HB3 PRO A 48 2.520 -16.149 2.976 1.00 2.74 H new ATOM 0 HG2 PRO A 48 2.943 -13.192 3.632 1.00 2.78 H new ATOM 0 HG3 PRO A 48 2.864 -13.946 2.053 1.00 2.78 H new ATOM 0 HD2 PRO A 48 0.667 -12.743 3.339 1.00 2.19 H new ATOM 0 HD3 PRO A 48 0.530 -13.894 2.024 1.00 2.19 H new ATOM 766 N ASP A 49 2.832 -14.103 6.266 1.00 1.35 N ATOM 767 CA ASP A 49 3.145 -13.330 7.479 1.00 1.20 C ATOM 768 C ASP A 49 3.262 -11.831 7.152 1.00 1.13 C ATOM 769 O ASP A 49 2.807 -10.953 7.875 1.00 1.30 O ATOM 770 CB ASP A 49 4.446 -13.882 8.064 1.00 1.43 C ATOM 771 CG ASP A 49 4.656 -13.354 9.480 1.00 2.31 C ATOM 772 OD1 ASP A 49 5.232 -12.248 9.590 1.00 3.28 O ATOM 773 OD2 ASP A 49 4.197 -14.036 10.418 1.00 3.17 O ATOM 0 H ASP A 49 3.647 -14.306 5.687 1.00 1.35 H new ATOM 0 HA ASP A 49 2.345 -13.429 8.212 1.00 1.20 H new ATOM 0 HB2 ASP A 49 4.414 -14.971 8.076 1.00 1.43 H new ATOM 0 HB3 ASP A 49 5.287 -13.595 7.433 1.00 1.43 H new ATOM 778 N VAL A 50 3.786 -11.556 5.965 1.00 1.05 N ATOM 779 CA VAL A 50 4.083 -10.228 5.441 1.00 1.00 C ATOM 780 C VAL A 50 2.896 -9.255 5.434 1.00 1.09 C ATOM 781 O VAL A 50 3.090 -8.070 5.672 1.00 1.32 O ATOM 782 CB VAL A 50 4.705 -10.390 4.033 1.00 1.16 C ATOM 783 CG1 VAL A 50 3.710 -10.288 2.858 1.00 1.52 C ATOM 784 CG2 VAL A 50 5.871 -9.420 3.891 1.00 1.79 C ATOM 0 H VAL A 50 4.029 -12.294 5.305 1.00 1.05 H new ATOM 0 HA VAL A 50 4.791 -9.759 6.124 1.00 1.00 H new ATOM 0 HB VAL A 50 5.063 -11.417 3.963 1.00 1.16 H new ATOM 0 HG11 VAL A 50 4.244 -10.415 1.917 1.00 1.52 H new ATOM 0 HG12 VAL A 50 2.953 -11.067 2.953 1.00 1.52 H new ATOM 0 HG13 VAL A 50 3.228 -9.310 2.873 1.00 1.52 H new ATOM 0 HG21 VAL A 50 6.315 -9.528 2.901 1.00 1.79 H new ATOM 0 HG22 VAL A 50 5.512 -8.399 4.019 1.00 1.79 H new ATOM 0 HG23 VAL A 50 6.621 -9.639 4.651 1.00 1.79 H new ATOM 794 N CYS A 51 1.668 -9.727 5.178 1.00 1.05 N ATOM 795 CA CYS A 51 0.481 -8.864 5.165 1.00 1.14 C ATOM 796 C CYS A 51 0.085 -8.393 6.578 1.00 1.28 C ATOM 797 O CYS A 51 0.023 -7.175 6.747 1.00 1.46 O ATOM 798 CB CYS A 51 -0.660 -9.520 4.385 1.00 1.38 C ATOM 799 SG CYS A 51 -0.240 -9.603 2.623 1.00 2.00 S ATOM 0 H CYS A 51 1.471 -10.707 4.976 1.00 1.05 H new ATOM 0 HA CYS A 51 0.731 -7.948 4.629 1.00 1.14 H new ATOM 0 HB2 CYS A 51 -0.846 -10.522 4.771 1.00 1.38 H new ATOM 0 HB3 CYS A 51 -1.579 -8.951 4.522 1.00 1.38 H new ATOM 0 HG CYS A 51 -0.813 -10.640 2.089 1.00 2.00 H new ATOM 805 N PRO A 52 -0.134 -9.266 7.587 1.00 1.06 N ATOM 806 CA PRO A 52 -0.409 -8.795 8.942 1.00 1.12 C ATOM 807 C PRO A 52 0.796 -8.046 9.526 1.00 1.27 C ATOM 808 O PRO A 52 0.616 -6.942 10.035 1.00 1.25 O ATOM 809 CB PRO A 52 -0.801 -10.039 9.750 1.00 1.28 C ATOM 810 CG PRO A 52 -0.195 -11.212 8.984 1.00 1.25 C ATOM 811 CD PRO A 52 -0.224 -10.723 7.537 1.00 1.18 C ATOM 0 HA PRO A 52 -1.220 -8.067 8.965 1.00 1.12 H new ATOM 0 HB2 PRO A 52 -0.412 -9.988 10.767 1.00 1.28 H new ATOM 0 HB3 PRO A 52 -1.884 -10.135 9.827 1.00 1.28 H new ATOM 0 HG2 PRO A 52 0.820 -11.431 9.317 1.00 1.25 H new ATOM 0 HG3 PRO A 52 -0.777 -12.124 9.114 1.00 1.25 H new ATOM 0 HD2 PRO A 52 0.606 -11.143 6.969 1.00 1.18 H new ATOM 0 HD3 PRO A 52 -1.142 -11.038 7.040 1.00 1.18 H new ATOM 819 N THR A 53 2.022 -8.581 9.403 1.00 0.87 N ATOM 820 CA THR A 53 3.224 -7.983 10.002 1.00 0.83 C ATOM 821 C THR A 53 3.540 -6.601 9.433 1.00 1.01 C ATOM 822 O THR A 53 3.760 -5.669 10.207 1.00 0.96 O ATOM 823 CB THR A 53 4.398 -8.963 9.885 1.00 0.90 C ATOM 824 OG1 THR A 53 4.004 -10.115 10.592 1.00 1.85 O ATOM 825 CG2 THR A 53 5.691 -8.449 10.519 1.00 1.40 C ATOM 0 H THR A 53 2.206 -9.440 8.885 1.00 0.87 H new ATOM 0 HA THR A 53 3.033 -7.809 11.061 1.00 0.83 H new ATOM 0 HB THR A 53 4.610 -9.130 8.829 1.00 0.90 H new ATOM 0 HG1 THR A 53 4.258 -10.914 10.084 1.00 1.85 H new ATOM 0 HG21 THR A 53 6.477 -9.194 10.398 1.00 1.40 H new ATOM 0 HG22 THR A 53 5.992 -7.522 10.031 1.00 1.40 H new ATOM 0 HG23 THR A 53 5.527 -8.264 11.581 1.00 1.40 H new ATOM 833 N THR A 54 3.499 -6.411 8.105 1.00 0.73 N ATOM 834 CA THR A 54 3.773 -5.091 7.496 1.00 0.66 C ATOM 835 C THR A 54 2.653 -4.087 7.775 1.00 0.83 C ATOM 836 O THR A 54 2.968 -2.928 8.009 1.00 0.83 O ATOM 837 CB THR A 54 4.115 -5.195 6.004 1.00 0.76 C ATOM 838 OG1 THR A 54 5.284 -5.965 5.858 1.00 1.05 O ATOM 839 CG2 THR A 54 4.428 -3.842 5.359 1.00 0.96 C ATOM 0 H THR A 54 3.281 -7.146 7.433 1.00 0.73 H new ATOM 0 HA THR A 54 4.666 -4.700 7.983 1.00 0.66 H new ATOM 0 HB THR A 54 3.240 -5.631 5.522 1.00 0.76 H new ATOM 0 HG1 THR A 54 5.043 -6.908 5.747 1.00 1.05 H new ATOM 0 HG21 THR A 54 4.661 -3.987 4.304 1.00 0.96 H new ATOM 0 HG22 THR A 54 3.563 -3.186 5.452 1.00 0.96 H new ATOM 0 HG23 THR A 54 5.283 -3.389 5.861 1.00 0.96 H new ATOM 847 N LEU A 55 1.380 -4.491 7.865 1.00 0.64 N ATOM 848 CA LEU A 55 0.308 -3.591 8.334 1.00 0.62 C ATOM 849 C LEU A 55 0.500 -3.192 9.807 1.00 1.09 C ATOM 850 O LEU A 55 0.218 -2.054 10.176 1.00 1.33 O ATOM 851 CB LEU A 55 -1.072 -4.257 8.146 1.00 0.64 C ATOM 852 CG LEU A 55 -1.581 -4.392 6.696 1.00 0.80 C ATOM 853 CD1 LEU A 55 -2.866 -5.235 6.682 1.00 1.42 C ATOM 854 CD2 LEU A 55 -1.878 -3.032 6.053 1.00 1.25 C ATOM 0 H LEU A 55 1.064 -5.430 7.622 1.00 0.64 H new ATOM 0 HA LEU A 55 0.358 -2.683 7.732 1.00 0.62 H new ATOM 0 HB2 LEU A 55 -1.033 -5.253 8.588 1.00 0.64 H new ATOM 0 HB3 LEU A 55 -1.807 -3.685 8.713 1.00 0.64 H new ATOM 0 HG LEU A 55 -0.791 -4.873 6.119 1.00 0.80 H new ATOM 0 HD11 LEU A 55 -3.227 -5.331 5.658 1.00 1.42 H new ATOM 0 HD12 LEU A 55 -2.656 -6.225 7.087 1.00 1.42 H new ATOM 0 HD13 LEU A 55 -3.628 -4.748 7.291 1.00 1.42 H new ATOM 0 HD21 LEU A 55 -2.233 -3.181 5.033 1.00 1.25 H new ATOM 0 HD22 LEU A 55 -2.644 -2.515 6.632 1.00 1.25 H new ATOM 0 HD23 LEU A 55 -0.969 -2.431 6.036 1.00 1.25 H new ATOM 866 N LEU A 56 1.017 -4.088 10.652 1.00 0.61 N ATOM 867 CA LEU A 56 1.351 -3.772 12.043 1.00 0.62 C ATOM 868 C LEU A 56 2.491 -2.746 12.105 1.00 1.03 C ATOM 869 O LEU A 56 2.378 -1.763 12.836 1.00 1.14 O ATOM 870 CB LEU A 56 1.647 -5.093 12.782 1.00 0.71 C ATOM 871 CG LEU A 56 1.731 -4.970 14.317 1.00 0.95 C ATOM 872 CD1 LEU A 56 1.339 -6.305 14.966 1.00 1.58 C ATOM 873 CD2 LEU A 56 3.137 -4.588 14.801 1.00 1.48 C ATOM 0 H LEU A 56 1.216 -5.054 10.391 1.00 0.61 H new ATOM 0 HA LEU A 56 0.514 -3.294 12.552 1.00 0.62 H new ATOM 0 HB2 LEU A 56 0.870 -5.815 12.531 1.00 0.71 H new ATOM 0 HB3 LEU A 56 2.589 -5.497 12.412 1.00 0.71 H new ATOM 0 HG LEU A 56 1.044 -4.176 14.609 1.00 0.95 H new ATOM 0 HD11 LEU A 56 1.400 -6.214 16.051 1.00 1.58 H new ATOM 0 HD12 LEU A 56 0.319 -6.563 14.680 1.00 1.58 H new ATOM 0 HD13 LEU A 56 2.019 -7.087 14.629 1.00 1.58 H new ATOM 0 HD21 LEU A 56 3.140 -4.515 15.889 1.00 1.48 H new ATOM 0 HD22 LEU A 56 3.850 -5.350 14.487 1.00 1.48 H new ATOM 0 HD23 LEU A 56 3.421 -3.627 14.372 1.00 1.48 H new ATOM 885 N ALA A 57 3.560 -2.922 11.321 1.00 0.62 N ATOM 886 CA ALA A 57 4.666 -1.962 11.249 1.00 0.65 C ATOM 887 C ALA A 57 4.220 -0.600 10.678 1.00 0.80 C ATOM 888 O ALA A 57 4.448 0.437 11.306 1.00 1.04 O ATOM 889 CB ALA A 57 5.799 -2.590 10.431 1.00 0.69 C ATOM 0 H ALA A 57 3.683 -3.735 10.718 1.00 0.62 H new ATOM 0 HA ALA A 57 5.024 -1.748 12.256 1.00 0.65 H new ATOM 0 HB1 ALA A 57 6.632 -1.890 10.366 1.00 0.69 H new ATOM 0 HB2 ALA A 57 6.133 -3.507 10.916 1.00 0.69 H new ATOM 0 HB3 ALA A 57 5.439 -2.820 9.428 1.00 0.69 H new ATOM 895 N LEU A 58 3.528 -0.603 9.530 1.00 0.64 N ATOM 896 CA LEU A 58 2.920 0.586 8.919 1.00 0.67 C ATOM 897 C LEU A 58 2.079 1.361 9.938 1.00 1.11 C ATOM 898 O LEU A 58 2.265 2.567 10.115 1.00 1.29 O ATOM 899 CB LEU A 58 2.053 0.156 7.715 1.00 0.68 C ATOM 900 CG LEU A 58 2.826 -0.222 6.434 1.00 0.94 C ATOM 901 CD1 LEU A 58 1.893 -0.928 5.437 1.00 1.15 C ATOM 902 CD2 LEU A 58 3.398 1.024 5.762 1.00 1.35 C ATOM 0 H LEU A 58 3.372 -1.453 8.988 1.00 0.64 H new ATOM 0 HA LEU A 58 3.714 1.249 8.575 1.00 0.67 H new ATOM 0 HB2 LEU A 58 1.445 -0.697 8.015 1.00 0.68 H new ATOM 0 HB3 LEU A 58 1.367 0.969 7.477 1.00 0.68 H new ATOM 0 HG LEU A 58 3.639 -0.889 6.721 1.00 0.94 H new ATOM 0 HD11 LEU A 58 2.452 -1.189 4.538 1.00 1.15 H new ATOM 0 HD12 LEU A 58 1.493 -1.834 5.892 1.00 1.15 H new ATOM 0 HD13 LEU A 58 1.071 -0.262 5.173 1.00 1.15 H new ATOM 0 HD21 LEU A 58 3.939 0.735 4.861 1.00 1.35 H new ATOM 0 HD22 LEU A 58 2.585 1.700 5.496 1.00 1.35 H new ATOM 0 HD23 LEU A 58 4.079 1.528 6.448 1.00 1.35 H new ATOM 914 N LYS A 59 1.188 0.685 10.670 1.00 0.64 N ATOM 915 CA LYS A 59 0.362 1.373 11.659 1.00 0.66 C ATOM 916 C LYS A 59 1.145 1.852 12.884 1.00 0.84 C ATOM 917 O LYS A 59 0.857 2.937 13.385 1.00 0.90 O ATOM 918 CB LYS A 59 -0.897 0.558 11.967 1.00 0.79 C ATOM 919 CG LYS A 59 -0.890 -0.533 13.048 1.00 0.87 C ATOM 920 CD LYS A 59 -0.906 0.049 14.468 1.00 1.09 C ATOM 921 CE LYS A 59 -1.756 -0.776 15.441 1.00 0.88 C ATOM 922 NZ LYS A 59 -2.221 0.070 16.573 1.00 1.32 N ATOM 0 H LYS A 59 1.024 -0.319 10.597 1.00 0.64 H new ATOM 0 HA LYS A 59 0.017 2.309 11.219 1.00 0.66 H new ATOM 0 HB2 LYS A 59 -1.679 1.268 12.236 1.00 0.79 H new ATOM 0 HB3 LYS A 59 -1.205 0.082 11.036 1.00 0.79 H new ATOM 0 HG2 LYS A 59 -1.757 -1.179 12.914 1.00 0.87 H new ATOM 0 HG3 LYS A 59 -0.005 -1.157 12.924 1.00 0.87 H new ATOM 0 HD2 LYS A 59 0.116 0.105 14.844 1.00 1.09 H new ATOM 0 HD3 LYS A 59 -1.289 1.069 14.433 1.00 1.09 H new ATOM 0 HE2 LYS A 59 -2.614 -1.196 14.917 1.00 0.88 H new ATOM 0 HE3 LYS A 59 -1.173 -1.615 15.822 1.00 0.88 H new ATOM 0 HZ1 LYS A 59 -2.977 -0.425 17.089 1.00 1.32 H new ATOM 0 HZ2 LYS A 59 -1.426 0.255 17.217 1.00 1.32 H new ATOM 0 HZ3 LYS A 59 -2.586 0.972 16.205 1.00 1.32 H new ATOM 936 N ARG A 60 2.174 1.122 13.329 1.00 0.68 N ATOM 937 CA ARG A 60 3.073 1.585 14.395 1.00 0.73 C ATOM 938 C ARG A 60 3.798 2.883 14.015 1.00 1.13 C ATOM 939 O ARG A 60 3.971 3.747 14.875 1.00 1.13 O ATOM 940 CB ARG A 60 4.078 0.482 14.757 1.00 0.77 C ATOM 941 CG ARG A 60 3.486 -0.671 15.586 1.00 1.00 C ATOM 942 CD ARG A 60 3.594 -0.435 17.098 1.00 1.39 C ATOM 943 NE ARG A 60 2.755 0.687 17.552 1.00 2.49 N ATOM 944 CZ ARG A 60 3.038 1.603 18.466 1.00 3.56 C ATOM 945 NH1 ARG A 60 4.208 1.681 19.060 1.00 3.58 N ATOM 946 NH2 ARG A 60 2.107 2.469 18.786 1.00 5.06 N ATOM 0 H ARG A 60 2.407 0.199 12.964 1.00 0.68 H new ATOM 0 HA ARG A 60 2.462 1.808 15.270 1.00 0.73 H new ATOM 0 HB2 ARG A 60 4.498 0.074 13.838 1.00 0.77 H new ATOM 0 HB3 ARG A 60 4.903 0.927 15.314 1.00 0.77 H new ATOM 0 HG2 ARG A 60 2.438 -0.804 15.318 1.00 1.00 H new ATOM 0 HG3 ARG A 60 4.000 -1.597 15.330 1.00 1.00 H new ATOM 0 HD2 ARG A 60 3.300 -1.342 17.627 1.00 1.39 H new ATOM 0 HD3 ARG A 60 4.634 -0.237 17.359 1.00 1.39 H new ATOM 0 HE ARG A 60 1.841 0.769 17.107 1.00 2.49 H new ATOM 0 HH11 ARG A 60 4.946 1.018 18.823 1.00 3.58 H new ATOM 0 HH12 ARG A 60 4.378 2.405 19.758 1.00 3.58 H new ATOM 0 HH21 ARG A 60 1.193 2.426 18.334 1.00 5.06 H new ATOM 0 HH22 ARG A 60 2.296 3.186 19.487 1.00 5.06 H new ATOM 960 N ALA A 61 4.169 3.061 12.743 1.00 0.74 N ATOM 961 CA ALA A 61 4.739 4.313 12.237 1.00 0.77 C ATOM 962 C ALA A 61 3.719 5.469 12.243 1.00 0.89 C ATOM 963 O ALA A 61 4.042 6.574 12.681 1.00 0.96 O ATOM 964 CB ALA A 61 5.318 4.052 10.838 1.00 0.83 C ATOM 0 H ALA A 61 4.082 2.336 12.031 1.00 0.74 H new ATOM 0 HA ALA A 61 5.538 4.638 12.903 1.00 0.77 H new ATOM 0 HB1 ALA A 61 5.747 4.973 10.444 1.00 0.83 H new ATOM 0 HB2 ALA A 61 6.093 3.289 10.902 1.00 0.83 H new ATOM 0 HB3 ALA A 61 4.525 3.709 10.174 1.00 0.83 H new ATOM 970 N TYR A 62 2.471 5.208 11.845 1.00 0.76 N ATOM 971 CA TYR A 62 1.375 6.184 11.935 1.00 0.87 C ATOM 972 C TYR A 62 1.107 6.616 13.391 1.00 1.19 C ATOM 973 O TYR A 62 0.974 7.806 13.657 1.00 1.36 O ATOM 974 CB TYR A 62 0.119 5.605 11.262 1.00 0.95 C ATOM 975 CG TYR A 62 -1.111 6.499 11.288 1.00 1.51 C ATOM 976 CD1 TYR A 62 -1.869 6.629 12.471 1.00 2.45 C ATOM 977 CD2 TYR A 62 -1.526 7.174 10.122 1.00 2.12 C ATOM 978 CE1 TYR A 62 -3.030 7.421 12.495 1.00 2.99 C ATOM 979 CE2 TYR A 62 -2.698 7.952 10.137 1.00 2.59 C ATOM 980 CZ TYR A 62 -3.466 8.059 11.316 1.00 2.72 C ATOM 981 OH TYR A 62 -4.611 8.790 11.310 1.00 3.37 O ATOM 0 H TYR A 62 2.188 4.311 11.449 1.00 0.76 H new ATOM 0 HA TYR A 62 1.667 7.090 11.404 1.00 0.87 H new ATOM 0 HB2 TYR A 62 0.358 5.376 10.223 1.00 0.95 H new ATOM 0 HB3 TYR A 62 -0.129 4.661 11.748 1.00 0.95 H new ATOM 0 HD1 TYR A 62 -1.554 6.115 13.367 1.00 2.45 H new ATOM 0 HD2 TYR A 62 -0.943 7.094 9.216 1.00 2.12 H new ATOM 0 HE1 TYR A 62 -3.586 7.540 13.413 1.00 2.99 H new ATOM 0 HE2 TYR A 62 -3.011 8.470 9.242 1.00 2.59 H new ATOM 0 HH TYR A 62 -4.571 9.467 12.017 1.00 3.37 H new ATOM 991 N GLU A 63 1.071 5.677 14.340 1.00 0.86 N ATOM 992 CA GLU A 63 0.876 5.975 15.767 1.00 1.03 C ATOM 993 C GLU A 63 2.027 6.808 16.365 1.00 1.23 C ATOM 994 O GLU A 63 1.870 7.414 17.419 1.00 1.51 O ATOM 995 CB GLU A 63 0.717 4.671 16.555 1.00 1.20 C ATOM 996 CG GLU A 63 -0.572 3.893 16.248 1.00 1.34 C ATOM 997 CD GLU A 63 -0.544 2.564 16.980 1.00 1.94 C ATOM 998 OE1 GLU A 63 0.344 1.730 16.700 1.00 2.83 O ATOM 999 OE2 GLU A 63 -1.390 2.277 17.844 1.00 2.56 O ATOM 0 H GLU A 63 1.177 4.682 14.142 1.00 0.86 H new ATOM 0 HA GLU A 63 -0.030 6.575 15.846 1.00 1.03 H new ATOM 0 HB2 GLU A 63 1.572 4.029 16.346 1.00 1.20 H new ATOM 0 HB3 GLU A 63 0.743 4.900 17.620 1.00 1.20 H new ATOM 0 HG2 GLU A 63 -1.442 4.473 16.557 1.00 1.34 H new ATOM 0 HG3 GLU A 63 -0.663 3.728 15.174 1.00 1.34 H new ATOM 1006 N LYS A 64 3.186 6.862 15.702 1.00 0.86 N ATOM 1007 CA LYS A 64 4.319 7.702 16.077 1.00 0.90 C ATOM 1008 C LYS A 64 4.266 9.148 15.528 1.00 1.05 C ATOM 1009 O LYS A 64 5.216 9.899 15.782 1.00 1.31 O ATOM 1010 CB LYS A 64 5.607 6.966 15.639 1.00 0.98 C ATOM 1011 CG LYS A 64 6.464 6.459 16.809 1.00 1.47 C ATOM 1012 CD LYS A 64 6.994 7.528 17.782 1.00 2.40 C ATOM 1013 CE LYS A 64 8.205 8.342 17.295 1.00 3.36 C ATOM 1014 NZ LYS A 64 7.885 9.250 16.166 1.00 4.87 N ATOM 0 H LYS A 64 3.363 6.305 14.866 1.00 0.86 H new ATOM 0 HA LYS A 64 4.292 7.843 17.157 1.00 0.90 H new ATOM 0 HB2 LYS A 64 5.333 6.120 15.009 1.00 0.98 H new ATOM 0 HB3 LYS A 64 6.207 7.639 15.027 1.00 0.98 H new ATOM 0 HG2 LYS A 64 5.874 5.741 17.379 1.00 1.47 H new ATOM 0 HG3 LYS A 64 7.316 5.917 16.399 1.00 1.47 H new ATOM 0 HD2 LYS A 64 6.183 8.220 18.007 1.00 2.40 H new ATOM 0 HD3 LYS A 64 7.263 7.038 18.718 1.00 2.40 H new ATOM 0 HE2 LYS A 64 8.597 8.930 18.125 1.00 3.36 H new ATOM 0 HE3 LYS A 64 8.995 7.657 16.989 1.00 3.36 H new ATOM 0 HZ1 LYS A 64 8.560 10.041 16.155 1.00 4.87 H new ATOM 0 HZ2 LYS A 64 7.951 8.726 15.270 1.00 4.87 H new ATOM 0 HZ3 LYS A 64 6.920 9.620 16.281 1.00 4.87 H new ATOM 1028 N LEU A 65 3.241 9.537 14.760 1.00 0.93 N ATOM 1029 CA LEU A 65 3.095 10.875 14.168 1.00 0.99 C ATOM 1030 C LEU A 65 2.617 11.918 15.202 1.00 1.44 C ATOM 1031 O LEU A 65 1.957 11.555 16.176 1.00 1.88 O ATOM 1032 CB LEU A 65 2.068 10.802 13.018 1.00 1.31 C ATOM 1033 CG LEU A 65 2.485 9.971 11.788 1.00 1.21 C ATOM 1034 CD1 LEU A 65 1.293 9.886 10.822 1.00 1.73 C ATOM 1035 CD2 LEU A 65 3.693 10.576 11.060 1.00 1.53 C ATOM 0 H LEU A 65 2.468 8.914 14.526 1.00 0.93 H new ATOM 0 HA LEU A 65 4.073 11.190 13.803 1.00 0.99 H new ATOM 0 HB2 LEU A 65 1.140 10.389 13.413 1.00 1.31 H new ATOM 0 HB3 LEU A 65 1.850 11.818 12.688 1.00 1.31 H new ATOM 0 HG LEU A 65 2.778 8.979 12.133 1.00 1.21 H new ATOM 0 HD11 LEU A 65 1.575 9.300 9.947 1.00 1.73 H new ATOM 0 HD12 LEU A 65 0.452 9.407 11.323 1.00 1.73 H new ATOM 0 HD13 LEU A 65 1.006 10.890 10.509 1.00 1.73 H new ATOM 0 HD21 LEU A 65 3.949 9.955 10.201 1.00 1.53 H new ATOM 0 HD22 LEU A 65 3.447 11.582 10.720 1.00 1.53 H new ATOM 0 HD23 LEU A 65 4.543 10.621 11.741 1.00 1.53 H new ATOM 1047 N PRO A 66 2.848 13.228 14.970 1.00 1.12 N ATOM 1048 CA PRO A 66 2.034 14.266 15.586 1.00 1.31 C ATOM 1049 C PRO A 66 0.623 14.223 14.974 1.00 1.39 C ATOM 1050 O PRO A 66 0.480 13.872 13.795 1.00 1.19 O ATOM 1051 CB PRO A 66 2.738 15.590 15.277 1.00 1.52 C ATOM 1052 CG PRO A 66 3.444 15.316 13.951 1.00 1.44 C ATOM 1053 CD PRO A 66 3.746 13.814 13.985 1.00 1.24 C ATOM 0 HA PRO A 66 1.927 14.136 16.663 1.00 1.31 H new ATOM 0 HB2 PRO A 66 2.027 16.412 15.191 1.00 1.52 H new ATOM 0 HB3 PRO A 66 3.446 15.861 16.060 1.00 1.52 H new ATOM 0 HG2 PRO A 66 2.811 15.575 13.102 1.00 1.44 H new ATOM 0 HG3 PRO A 66 4.358 15.903 13.858 1.00 1.44 H new ATOM 0 HD2 PRO A 66 3.590 13.366 13.004 1.00 1.24 H new ATOM 0 HD3 PRO A 66 4.787 13.635 14.255 1.00 1.24 H new ATOM 1061 N PRO A 67 -0.416 14.642 15.720 1.00 1.25 N ATOM 1062 CA PRO A 67 -1.799 14.591 15.255 1.00 1.40 C ATOM 1063 C PRO A 67 -2.063 15.482 14.035 1.00 1.54 C ATOM 1064 O PRO A 67 -3.070 15.279 13.365 1.00 1.59 O ATOM 1065 CB PRO A 67 -2.655 14.993 16.461 1.00 1.61 C ATOM 1066 CG PRO A 67 -1.710 15.849 17.305 1.00 1.64 C ATOM 1067 CD PRO A 67 -0.356 15.179 17.071 1.00 1.43 C ATOM 0 HA PRO A 67 -2.046 13.590 14.902 1.00 1.40 H new ATOM 0 HB2 PRO A 67 -3.539 15.553 16.156 1.00 1.61 H new ATOM 0 HB3 PRO A 67 -3.005 14.120 17.012 1.00 1.61 H new ATOM 0 HG2 PRO A 67 -1.708 16.890 16.982 1.00 1.64 H new ATOM 0 HG3 PRO A 67 -1.989 15.842 18.359 1.00 1.64 H new ATOM 0 HD2 PRO A 67 0.459 15.895 17.173 1.00 1.43 H new ATOM 0 HD3 PRO A 67 -0.178 14.388 17.800 1.00 1.43 H new ATOM 1075 N LYS A 68 -1.159 16.414 13.693 1.00 1.40 N ATOM 1076 CA LYS A 68 -1.305 17.246 12.490 1.00 1.53 C ATOM 1077 C LYS A 68 -0.725 16.591 11.220 1.00 1.67 C ATOM 1078 O LYS A 68 -1.093 16.977 10.115 1.00 1.66 O ATOM 1079 CB LYS A 68 -0.646 18.620 12.736 1.00 1.70 C ATOM 1080 CG LYS A 68 -1.347 19.500 13.792 1.00 2.14 C ATOM 1081 CD LYS A 68 -2.825 19.835 13.511 1.00 2.85 C ATOM 1082 CE LYS A 68 -3.034 20.513 12.147 1.00 2.87 C ATOM 1083 NZ LYS A 68 -4.469 20.612 11.797 1.00 3.37 N ATOM 0 H LYS A 68 -0.317 16.610 14.235 1.00 1.40 H new ATOM 0 HA LYS A 68 -2.373 17.365 12.307 1.00 1.53 H new ATOM 0 HB2 LYS A 68 0.387 18.460 13.046 1.00 1.70 H new ATOM 0 HB3 LYS A 68 -0.615 19.165 11.793 1.00 1.70 H new ATOM 0 HG2 LYS A 68 -1.285 18.996 14.757 1.00 2.14 H new ATOM 0 HG3 LYS A 68 -0.793 20.434 13.884 1.00 2.14 H new ATOM 0 HD2 LYS A 68 -3.414 18.919 13.550 1.00 2.85 H new ATOM 0 HD3 LYS A 68 -3.200 20.489 14.298 1.00 2.85 H new ATOM 0 HE2 LYS A 68 -2.595 21.510 12.166 1.00 2.87 H new ATOM 0 HE3 LYS A 68 -2.510 19.948 11.376 1.00 2.87 H new ATOM 0 HZ1 LYS A 68 -4.567 20.766 10.773 1.00 3.37 H new ATOM 0 HZ2 LYS A 68 -4.953 19.730 12.062 1.00 3.37 H new ATOM 0 HZ3 LYS A 68 -4.897 21.409 12.309 1.00 3.37 H new ATOM 1097 N ALA A 69 0.199 15.627 11.344 1.00 1.28 N ATOM 1098 CA ALA A 69 0.748 14.897 10.195 1.00 1.12 C ATOM 1099 C ALA A 69 -0.194 13.825 9.623 1.00 1.19 C ATOM 1100 O ALA A 69 -0.215 13.636 8.414 1.00 1.22 O ATOM 1101 CB ALA A 69 2.111 14.317 10.555 1.00 1.14 C ATOM 0 H ALA A 69 0.585 15.333 12.241 1.00 1.28 H new ATOM 0 HA ALA A 69 0.863 15.621 9.388 1.00 1.12 H new ATOM 0 HB1 ALA A 69 2.514 13.776 9.699 1.00 1.14 H new ATOM 0 HB2 ALA A 69 2.790 15.125 10.826 1.00 1.14 H new ATOM 0 HB3 ALA A 69 2.005 13.634 11.398 1.00 1.14 H new ATOM 1107 N GLN A 70 -1.001 13.149 10.446 1.00 1.11 N ATOM 1108 CA GLN A 70 -1.962 12.133 9.974 1.00 1.19 C ATOM 1109 C GLN A 70 -2.968 12.692 8.948 1.00 1.28 C ATOM 1110 O GLN A 70 -3.349 11.992 8.015 1.00 1.58 O ATOM 1111 CB GLN A 70 -2.682 11.477 11.159 1.00 1.41 C ATOM 1112 CG GLN A 70 -3.192 12.471 12.208 1.00 1.67 C ATOM 1113 CD GLN A 70 -4.067 11.858 13.300 1.00 2.08 C ATOM 1114 OE1 GLN A 70 -4.274 10.658 13.402 1.00 2.28 O ATOM 1115 NE2 GLN A 70 -4.630 12.684 14.156 1.00 3.07 N ATOM 0 H GLN A 70 -1.011 13.286 11.457 1.00 1.11 H new ATOM 0 HA GLN A 70 -1.386 11.370 9.451 1.00 1.19 H new ATOM 0 HB2 GLN A 70 -3.525 10.898 10.783 1.00 1.41 H new ATOM 0 HB3 GLN A 70 -2.002 10.774 11.640 1.00 1.41 H new ATOM 0 HG2 GLN A 70 -2.335 12.954 12.677 1.00 1.67 H new ATOM 0 HG3 GLN A 70 -3.760 13.252 11.702 1.00 1.67 H new ATOM 0 HE21 GLN A 70 -4.464 13.688 14.081 1.00 3.07 H new ATOM 0 HE22 GLN A 70 -5.232 12.321 14.895 1.00 3.07 H new ATOM 1124 N GLU A 71 -3.288 13.987 9.031 1.00 1.18 N ATOM 1125 CA GLU A 71 -4.071 14.777 8.054 1.00 1.23 C ATOM 1126 C GLU A 71 -3.516 14.688 6.622 1.00 1.36 C ATOM 1127 O GLU A 71 -4.198 14.983 5.640 1.00 1.71 O ATOM 1128 CB GLU A 71 -4.072 16.259 8.484 1.00 1.31 C ATOM 1129 CG GLU A 71 -4.371 16.406 9.979 1.00 1.89 C ATOM 1130 CD GLU A 71 -4.605 17.835 10.466 1.00 2.50 C ATOM 1131 OE1 GLU A 71 -4.389 18.820 9.729 1.00 2.73 O ATOM 1132 OE2 GLU A 71 -4.912 17.982 11.669 1.00 3.58 O ATOM 0 H GLU A 71 -2.993 14.553 9.827 1.00 1.18 H new ATOM 0 HA GLU A 71 -5.078 14.359 8.045 1.00 1.23 H new ATOM 0 HB2 GLU A 71 -3.103 16.705 8.259 1.00 1.31 H new ATOM 0 HB3 GLU A 71 -4.817 16.807 7.907 1.00 1.31 H new ATOM 0 HG2 GLU A 71 -5.253 15.811 10.215 1.00 1.89 H new ATOM 0 HG3 GLU A 71 -3.540 15.981 10.541 1.00 1.89 H new ATOM 1139 N ARG A 72 -2.247 14.290 6.541 1.00 0.91 N ATOM 1140 CA ARG A 72 -1.445 14.068 5.349 1.00 0.89 C ATOM 1141 C ARG A 72 -1.152 12.585 5.068 1.00 1.23 C ATOM 1142 O ARG A 72 -0.671 12.333 3.972 1.00 1.53 O ATOM 1143 CB ARG A 72 -0.110 14.808 5.491 1.00 1.14 C ATOM 1144 CG ARG A 72 -0.280 16.242 6.012 1.00 1.35 C ATOM 1145 CD ARG A 72 1.064 16.930 5.880 1.00 1.53 C ATOM 1146 NE ARG A 72 0.973 18.351 6.256 1.00 2.15 N ATOM 1147 CZ ARG A 72 1.939 19.248 6.089 1.00 2.72 C ATOM 1148 NH1 ARG A 72 3.110 18.927 5.585 1.00 3.31 N ATOM 1149 NH2 ARG A 72 1.727 20.500 6.432 1.00 3.61 N ATOM 0 H ARG A 72 -1.710 14.099 7.387 1.00 0.91 H new ATOM 0 HA ARG A 72 -2.030 14.446 4.511 1.00 0.89 H new ATOM 0 HB2 ARG A 72 0.538 14.253 6.170 1.00 1.14 H new ATOM 0 HB3 ARG A 72 0.391 14.834 4.523 1.00 1.14 H new ATOM 0 HG2 ARG A 72 -1.041 16.772 5.439 1.00 1.35 H new ATOM 0 HG3 ARG A 72 -0.609 16.237 7.051 1.00 1.35 H new ATOM 0 HD2 ARG A 72 1.796 16.429 6.514 1.00 1.53 H new ATOM 0 HD3 ARG A 72 1.420 16.845 4.853 1.00 1.53 H new ATOM 0 HE ARG A 72 0.101 18.671 6.677 1.00 2.15 H new ATOM 0 HH11 ARG A 72 3.299 17.964 5.308 1.00 3.31 H new ATOM 0 HH12 ARG A 72 3.829 19.641 5.471 1.00 3.31 H new ATOM 0 HH21 ARG A 72 0.826 20.776 6.823 1.00 3.61 H new ATOM 0 HH22 ARG A 72 2.463 21.195 6.307 1.00 3.61 H new ATOM 1163 N VAL A 73 -1.376 11.635 5.984 1.00 0.83 N ATOM 1164 CA VAL A 73 -0.897 10.236 5.873 1.00 0.86 C ATOM 1165 C VAL A 73 -2.080 9.270 5.931 1.00 1.09 C ATOM 1166 O VAL A 73 -2.736 9.157 6.962 1.00 1.43 O ATOM 1167 CB VAL A 73 0.123 9.862 6.988 1.00 1.04 C ATOM 1168 CG1 VAL A 73 0.612 8.407 6.856 1.00 1.44 C ATOM 1169 CG2 VAL A 73 1.362 10.775 6.996 1.00 2.17 C ATOM 0 H VAL A 73 -1.903 11.811 6.840 1.00 0.83 H new ATOM 0 HA VAL A 73 -0.386 10.154 4.914 1.00 0.86 H new ATOM 0 HB VAL A 73 -0.424 9.992 7.922 1.00 1.04 H new ATOM 0 HG11 VAL A 73 1.322 8.188 7.654 1.00 1.44 H new ATOM 0 HG12 VAL A 73 -0.238 7.729 6.931 1.00 1.44 H new ATOM 0 HG13 VAL A 73 1.099 8.273 5.890 1.00 1.44 H new ATOM 0 HG21 VAL A 73 2.037 10.466 7.794 1.00 2.17 H new ATOM 0 HG22 VAL A 73 1.876 10.700 6.038 1.00 2.17 H new ATOM 0 HG23 VAL A 73 1.053 11.807 7.162 1.00 2.17 H new ATOM 1179 N GLN A 74 -2.326 8.538 4.846 1.00 0.73 N ATOM 1180 CA GLN A 74 -3.335 7.477 4.724 1.00 0.74 C ATOM 1181 C GLN A 74 -2.715 6.326 3.927 1.00 1.04 C ATOM 1182 O GLN A 74 -1.788 6.561 3.152 1.00 1.27 O ATOM 1183 CB GLN A 74 -4.594 7.986 3.986 1.00 0.85 C ATOM 1184 CG GLN A 74 -5.605 8.742 4.861 1.00 1.50 C ATOM 1185 CD GLN A 74 -5.138 10.125 5.310 1.00 2.79 C ATOM 1186 OE1 GLN A 74 -4.569 10.902 4.565 1.00 3.44 O ATOM 1187 NE2 GLN A 74 -5.362 10.491 6.551 1.00 4.06 N ATOM 0 H GLN A 74 -1.802 8.673 3.981 1.00 0.73 H new ATOM 0 HA GLN A 74 -3.636 7.151 5.719 1.00 0.74 H new ATOM 0 HB2 GLN A 74 -4.279 8.641 3.174 1.00 0.85 H new ATOM 0 HB3 GLN A 74 -5.098 7.134 3.531 1.00 0.85 H new ATOM 0 HG2 GLN A 74 -6.538 8.848 4.308 1.00 1.50 H new ATOM 0 HG3 GLN A 74 -5.824 8.141 5.744 1.00 1.50 H new ATOM 0 HE21 GLN A 74 -5.837 9.856 7.192 1.00 4.06 H new ATOM 0 HE22 GLN A 74 -5.061 11.411 6.874 1.00 4.06 H new ATOM 1196 N VAL A 75 -3.220 5.097 4.079 1.00 0.80 N ATOM 1197 CA VAL A 75 -2.678 3.932 3.365 1.00 0.94 C ATOM 1198 C VAL A 75 -3.796 3.206 2.616 1.00 1.00 C ATOM 1199 O VAL A 75 -4.911 3.060 3.118 1.00 1.17 O ATOM 1200 CB VAL A 75 -1.975 2.974 4.345 1.00 1.20 C ATOM 1201 CG1 VAL A 75 -1.280 1.805 3.612 1.00 1.41 C ATOM 1202 CG2 VAL A 75 -0.942 3.680 5.238 1.00 1.43 C ATOM 0 H VAL A 75 -4.006 4.881 4.692 1.00 0.80 H new ATOM 0 HA VAL A 75 -1.941 4.280 2.641 1.00 0.94 H new ATOM 0 HB VAL A 75 -2.772 2.585 4.979 1.00 1.20 H new ATOM 0 HG11 VAL A 75 -0.797 1.154 4.341 1.00 1.41 H new ATOM 0 HG12 VAL A 75 -2.021 1.235 3.051 1.00 1.41 H new ATOM 0 HG13 VAL A 75 -0.531 2.200 2.926 1.00 1.41 H new ATOM 0 HG21 VAL A 75 -0.481 2.953 5.906 1.00 1.43 H new ATOM 0 HG22 VAL A 75 -0.174 4.137 4.614 1.00 1.43 H new ATOM 0 HG23 VAL A 75 -1.437 4.451 5.828 1.00 1.43 H new ATOM 1212 N ILE A 76 -3.488 2.719 1.413 1.00 0.86 N ATOM 1213 CA ILE A 76 -4.373 1.892 0.589 1.00 0.75 C ATOM 1214 C ILE A 76 -3.819 0.461 0.498 1.00 0.77 C ATOM 1215 O ILE A 76 -2.710 0.248 0.003 1.00 1.07 O ATOM 1216 CB ILE A 76 -4.516 2.525 -0.815 1.00 0.89 C ATOM 1217 CG1 ILE A 76 -4.911 4.025 -0.794 1.00 1.25 C ATOM 1218 CG2 ILE A 76 -5.529 1.729 -1.652 1.00 0.79 C ATOM 1219 CD1 ILE A 76 -6.243 4.368 -0.111 1.00 1.36 C ATOM 0 H ILE A 76 -2.586 2.895 0.970 1.00 0.86 H new ATOM 0 HA ILE A 76 -5.361 1.843 1.047 1.00 0.75 H new ATOM 0 HB ILE A 76 -3.526 2.477 -1.269 1.00 0.89 H new ATOM 0 HG12 ILE A 76 -4.117 4.581 -0.295 1.00 1.25 H new ATOM 0 HG13 ILE A 76 -4.952 4.383 -1.823 1.00 1.25 H new ATOM 0 HG21 ILE A 76 -5.622 2.183 -2.639 1.00 0.79 H new ATOM 0 HG22 ILE A 76 -5.185 0.700 -1.757 1.00 0.79 H new ATOM 0 HG23 ILE A 76 -6.499 1.739 -1.155 1.00 0.79 H new ATOM 0 HD11 ILE A 76 -6.410 5.444 -0.159 1.00 1.36 H new ATOM 0 HD12 ILE A 76 -7.057 3.851 -0.620 1.00 1.36 H new ATOM 0 HD13 ILE A 76 -6.209 4.053 0.932 1.00 1.36 H new ATOM 1231 N PHE A 77 -4.613 -0.532 0.895 1.00 0.56 N ATOM 1232 CA PHE A 77 -4.309 -1.947 0.709 1.00 0.49 C ATOM 1233 C PHE A 77 -5.021 -2.421 -0.561 1.00 1.37 C ATOM 1234 O PHE A 77 -6.239 -2.294 -0.685 1.00 1.77 O ATOM 1235 CB PHE A 77 -4.765 -2.738 1.945 1.00 0.50 C ATOM 1236 CG PHE A 77 -4.523 -4.235 1.870 1.00 0.65 C ATOM 1237 CD1 PHE A 77 -3.312 -4.782 2.341 1.00 1.98 C ATOM 1238 CD2 PHE A 77 -5.519 -5.088 1.354 1.00 1.65 C ATOM 1239 CE1 PHE A 77 -3.108 -6.174 2.314 1.00 1.86 C ATOM 1240 CE2 PHE A 77 -5.312 -6.476 1.318 1.00 1.70 C ATOM 1241 CZ PHE A 77 -4.112 -7.020 1.808 1.00 0.90 C ATOM 0 H PHE A 77 -5.504 -0.370 1.365 1.00 0.56 H new ATOM 0 HA PHE A 77 -3.237 -2.108 0.596 1.00 0.49 H new ATOM 0 HB2 PHE A 77 -4.249 -2.345 2.821 1.00 0.50 H new ATOM 0 HB3 PHE A 77 -5.830 -2.564 2.097 1.00 0.50 H new ATOM 0 HD1 PHE A 77 -2.539 -4.131 2.723 1.00 1.98 H new ATOM 0 HD2 PHE A 77 -6.445 -4.672 0.985 1.00 1.65 H new ATOM 0 HE1 PHE A 77 -2.182 -6.592 2.681 1.00 1.86 H new ATOM 0 HE2 PHE A 77 -6.074 -7.126 0.914 1.00 1.70 H new ATOM 0 HZ PHE A 77 -3.960 -8.089 1.796 1.00 0.90 H new ATOM 1251 N VAL A 78 -4.246 -2.956 -1.505 1.00 0.51 N ATOM 1252 CA VAL A 78 -4.746 -3.494 -2.776 1.00 0.56 C ATOM 1253 C VAL A 78 -4.709 -5.019 -2.703 1.00 0.84 C ATOM 1254 O VAL A 78 -3.650 -5.604 -2.471 1.00 1.08 O ATOM 1255 CB VAL A 78 -3.926 -2.991 -3.986 1.00 0.74 C ATOM 1256 CG1 VAL A 78 -4.566 -3.435 -5.314 1.00 1.11 C ATOM 1257 CG2 VAL A 78 -3.798 -1.454 -3.987 1.00 1.07 C ATOM 0 H VAL A 78 -3.233 -3.030 -1.408 1.00 0.51 H new ATOM 0 HA VAL A 78 -5.767 -3.144 -2.925 1.00 0.56 H new ATOM 0 HB VAL A 78 -2.933 -3.431 -3.893 1.00 0.74 H new ATOM 0 HG11 VAL A 78 -3.968 -3.067 -6.147 1.00 1.11 H new ATOM 0 HG12 VAL A 78 -4.609 -4.524 -5.351 1.00 1.11 H new ATOM 0 HG13 VAL A 78 -5.575 -3.029 -5.385 1.00 1.11 H new ATOM 0 HG21 VAL A 78 -3.215 -1.138 -4.852 1.00 1.07 H new ATOM 0 HG22 VAL A 78 -4.791 -1.006 -4.035 1.00 1.07 H new ATOM 0 HG23 VAL A 78 -3.298 -1.130 -3.075 1.00 1.07 H new ATOM 1267 N SER A 79 -5.864 -5.657 -2.899 1.00 0.56 N ATOM 1268 CA SER A 79 -5.987 -7.114 -2.977 1.00 0.63 C ATOM 1269 C SER A 79 -5.389 -7.691 -4.271 1.00 0.83 C ATOM 1270 O SER A 79 -5.600 -7.124 -5.345 1.00 1.15 O ATOM 1271 CB SER A 79 -7.462 -7.505 -2.965 1.00 0.92 C ATOM 1272 OG SER A 79 -8.082 -7.028 -4.147 1.00 2.34 O ATOM 0 H SER A 79 -6.753 -5.169 -3.010 1.00 0.56 H new ATOM 0 HA SER A 79 -5.445 -7.513 -2.120 1.00 0.63 H new ATOM 0 HB2 SER A 79 -7.562 -8.588 -2.900 1.00 0.92 H new ATOM 0 HB3 SER A 79 -7.954 -7.086 -2.088 1.00 0.92 H new ATOM 0 HG SER A 79 -7.395 -6.799 -4.807 1.00 2.34 H new ATOM 1278 N VAL A 80 -4.758 -8.866 -4.192 1.00 0.82 N ATOM 1279 CA VAL A 80 -4.114 -9.556 -5.341 1.00 1.00 C ATOM 1280 C VAL A 80 -4.526 -11.044 -5.427 1.00 1.82 C ATOM 1281 O VAL A 80 -3.874 -11.868 -6.058 1.00 2.52 O ATOM 1282 CB VAL A 80 -2.569 -9.354 -5.359 1.00 0.72 C ATOM 1283 CG1 VAL A 80 -1.956 -9.643 -6.751 1.00 2.00 C ATOM 1284 CG2 VAL A 80 -2.132 -7.910 -5.031 1.00 1.91 C ATOM 0 H VAL A 80 -4.672 -9.383 -3.317 1.00 0.82 H new ATOM 0 HA VAL A 80 -4.489 -9.082 -6.248 1.00 1.00 H new ATOM 0 HB VAL A 80 -2.217 -10.051 -4.599 1.00 0.72 H new ATOM 0 HG11 VAL A 80 -0.878 -9.488 -6.713 1.00 2.00 H new ATOM 0 HG12 VAL A 80 -2.165 -10.675 -7.033 1.00 2.00 H new ATOM 0 HG13 VAL A 80 -2.393 -8.969 -7.488 1.00 2.00 H new ATOM 0 HG21 VAL A 80 -1.044 -7.843 -5.062 1.00 1.91 H new ATOM 0 HG22 VAL A 80 -2.559 -7.225 -5.764 1.00 1.91 H new ATOM 0 HG23 VAL A 80 -2.484 -7.641 -4.035 1.00 1.91 H new ATOM 1294 N ASP A 81 -5.657 -11.393 -4.808 1.00 1.40 N ATOM 1295 CA ASP A 81 -6.376 -12.647 -5.063 1.00 1.67 C ATOM 1296 C ASP A 81 -7.843 -12.320 -5.401 1.00 1.45 C ATOM 1297 O ASP A 81 -8.729 -12.524 -4.569 1.00 1.48 O ATOM 1298 CB ASP A 81 -6.185 -13.614 -3.872 1.00 1.94 C ATOM 1299 CG ASP A 81 -6.535 -15.069 -4.205 1.00 2.56 C ATOM 1300 OD1 ASP A 81 -7.155 -15.330 -5.258 1.00 2.37 O ATOM 1301 OD2 ASP A 81 -6.162 -15.971 -3.421 1.00 3.98 O ATOM 0 H ASP A 81 -6.106 -10.805 -4.106 1.00 1.40 H new ATOM 0 HA ASP A 81 -5.972 -13.173 -5.928 1.00 1.67 H new ATOM 0 HB2 ASP A 81 -5.149 -13.565 -3.537 1.00 1.94 H new ATOM 0 HB3 ASP A 81 -6.805 -13.280 -3.040 1.00 1.94 H new ATOM 1306 N PRO A 82 -8.115 -11.708 -6.575 1.00 1.45 N ATOM 1307 CA PRO A 82 -9.424 -11.153 -6.902 1.00 1.41 C ATOM 1308 C PRO A 82 -10.493 -12.248 -6.938 1.00 1.51 C ATOM 1309 O PRO A 82 -10.209 -13.397 -7.275 1.00 3.13 O ATOM 1310 CB PRO A 82 -9.260 -10.421 -8.238 1.00 1.84 C ATOM 1311 CG PRO A 82 -8.054 -11.112 -8.874 1.00 2.07 C ATOM 1312 CD PRO A 82 -7.184 -11.466 -7.668 1.00 1.85 C ATOM 0 HA PRO A 82 -9.770 -10.453 -6.142 1.00 1.41 H new ATOM 0 HB2 PRO A 82 -10.151 -10.514 -8.859 1.00 1.84 H new ATOM 0 HB3 PRO A 82 -9.083 -9.355 -8.093 1.00 1.84 H new ATOM 0 HG2 PRO A 82 -8.347 -12.000 -9.435 1.00 2.07 H new ATOM 0 HG3 PRO A 82 -7.532 -10.454 -9.569 1.00 2.07 H new ATOM 0 HD2 PRO A 82 -6.576 -12.348 -7.868 1.00 1.85 H new ATOM 0 HD3 PRO A 82 -6.498 -10.654 -7.427 1.00 1.85 H new ATOM 1320 N GLU A 83 -11.711 -11.876 -6.526 1.00 1.78 N ATOM 1321 CA GLU A 83 -12.866 -12.742 -6.258 1.00 2.33 C ATOM 1322 C GLU A 83 -12.714 -13.499 -4.923 1.00 2.18 C ATOM 1323 O GLU A 83 -13.660 -13.539 -4.139 1.00 3.23 O ATOM 1324 CB GLU A 83 -13.159 -13.709 -7.421 1.00 2.91 C ATOM 1325 CG GLU A 83 -14.633 -14.143 -7.439 1.00 4.56 C ATOM 1326 CD GLU A 83 -14.776 -15.605 -7.859 1.00 5.55 C ATOM 1327 OE1 GLU A 83 -14.304 -15.971 -8.952 1.00 5.40 O ATOM 1328 OE2 GLU A 83 -15.223 -16.417 -7.018 1.00 6.90 O ATOM 0 H GLU A 83 -11.931 -10.894 -6.360 1.00 1.78 H new ATOM 0 HA GLU A 83 -13.731 -12.084 -6.169 1.00 2.33 H new ATOM 0 HB2 GLU A 83 -12.909 -13.228 -8.367 1.00 2.91 H new ATOM 0 HB3 GLU A 83 -12.521 -14.589 -7.333 1.00 2.91 H new ATOM 0 HG2 GLU A 83 -15.068 -14.002 -6.449 1.00 4.56 H new ATOM 0 HG3 GLU A 83 -15.193 -13.509 -8.126 1.00 4.56 H new ATOM 1335 N ARG A 84 -11.535 -14.067 -4.620 1.00 1.10 N ATOM 1336 CA ARG A 84 -11.258 -14.718 -3.323 1.00 1.07 C ATOM 1337 C ARG A 84 -11.136 -13.678 -2.204 1.00 1.30 C ATOM 1338 O ARG A 84 -11.531 -13.939 -1.070 1.00 1.52 O ATOM 1339 CB ARG A 84 -9.969 -15.563 -3.368 1.00 1.20 C ATOM 1340 CG ARG A 84 -10.055 -16.874 -4.169 1.00 1.97 C ATOM 1341 CD ARG A 84 -9.992 -16.685 -5.695 1.00 3.36 C ATOM 1342 NE ARG A 84 -10.908 -17.577 -6.431 1.00 4.30 N ATOM 1343 CZ ARG A 84 -12.231 -17.457 -6.464 1.00 5.14 C ATOM 1344 NH1 ARG A 84 -12.911 -16.734 -5.605 1.00 5.36 N ATOM 1345 NH2 ARG A 84 -12.930 -18.040 -7.407 1.00 6.47 N ATOM 0 H ARG A 84 -10.745 -14.089 -5.265 1.00 1.10 H new ATOM 0 HA ARG A 84 -12.100 -15.379 -3.118 1.00 1.07 H new ATOM 0 HB2 ARG A 84 -9.171 -14.952 -3.791 1.00 1.20 H new ATOM 0 HB3 ARG A 84 -9.678 -15.803 -2.345 1.00 1.20 H new ATOM 0 HG2 ARG A 84 -9.240 -17.529 -3.861 1.00 1.97 H new ATOM 0 HG3 ARG A 84 -10.985 -17.382 -3.915 1.00 1.97 H new ATOM 0 HD2 ARG A 84 -10.232 -15.650 -5.936 1.00 3.36 H new ATOM 0 HD3 ARG A 84 -8.972 -16.863 -6.035 1.00 3.36 H new ATOM 0 HE ARG A 84 -10.493 -18.347 -6.956 1.00 4.30 H new ATOM 0 HH11 ARG A 84 -12.424 -16.229 -4.865 1.00 5.36 H new ATOM 0 HH12 ARG A 84 -13.927 -16.677 -5.677 1.00 5.36 H new ATOM 0 HH21 ARG A 84 -12.459 -18.592 -8.124 1.00 6.47 H new ATOM 0 HH22 ARG A 84 -13.945 -17.942 -7.424 1.00 6.47 H new ATOM 1359 N ASP A 85 -10.626 -12.491 -2.528 1.00 0.86 N ATOM 1360 CA ASP A 85 -10.389 -11.385 -1.606 1.00 0.81 C ATOM 1361 C ASP A 85 -11.372 -10.227 -1.892 1.00 1.03 C ATOM 1362 O ASP A 85 -10.943 -9.197 -2.408 1.00 1.27 O ATOM 1363 CB ASP A 85 -8.906 -10.958 -1.754 1.00 0.89 C ATOM 1364 CG ASP A 85 -8.377 -10.192 -0.551 1.00 1.23 C ATOM 1365 OD1 ASP A 85 -9.148 -9.969 0.406 1.00 2.21 O ATOM 1366 OD2 ASP A 85 -7.155 -9.926 -0.531 1.00 2.01 O ATOM 0 H ASP A 85 -10.355 -12.265 -3.485 1.00 0.86 H new ATOM 0 HA ASP A 85 -10.568 -11.687 -0.574 1.00 0.81 H new ATOM 0 HB2 ASP A 85 -8.293 -11.846 -1.909 1.00 0.89 H new ATOM 0 HB3 ASP A 85 -8.801 -10.339 -2.645 1.00 0.89 H new ATOM 1371 N PRO A 86 -12.696 -10.368 -1.660 1.00 0.71 N ATOM 1372 CA PRO A 86 -13.680 -9.350 -2.038 1.00 0.81 C ATOM 1373 C PRO A 86 -13.546 -8.088 -1.167 1.00 0.94 C ATOM 1374 O PRO A 86 -13.105 -8.190 -0.019 1.00 0.80 O ATOM 1375 CB PRO A 86 -15.045 -10.034 -1.890 1.00 0.86 C ATOM 1376 CG PRO A 86 -14.799 -11.059 -0.788 1.00 0.84 C ATOM 1377 CD PRO A 86 -13.367 -11.508 -1.058 1.00 0.72 C ATOM 0 HA PRO A 86 -13.534 -8.995 -3.058 1.00 0.81 H new ATOM 0 HB2 PRO A 86 -15.824 -9.324 -1.614 1.00 0.86 H new ATOM 0 HB3 PRO A 86 -15.361 -10.509 -2.819 1.00 0.86 H new ATOM 0 HG2 PRO A 86 -14.905 -10.620 0.204 1.00 0.84 H new ATOM 0 HG3 PRO A 86 -15.501 -11.891 -0.845 1.00 0.84 H new ATOM 0 HD2 PRO A 86 -12.872 -11.809 -0.135 1.00 0.72 H new ATOM 0 HD3 PRO A 86 -13.348 -12.369 -1.726 1.00 0.72 H new ATOM 1385 N PRO A 87 -13.937 -6.898 -1.677 1.00 0.62 N ATOM 1386 CA PRO A 87 -13.528 -5.607 -1.119 1.00 0.71 C ATOM 1387 C PRO A 87 -13.973 -5.379 0.317 1.00 0.95 C ATOM 1388 O PRO A 87 -13.263 -4.711 1.056 1.00 0.82 O ATOM 1389 CB PRO A 87 -14.102 -4.529 -2.041 1.00 0.74 C ATOM 1390 CG PRO A 87 -15.183 -5.247 -2.846 1.00 0.70 C ATOM 1391 CD PRO A 87 -14.674 -6.685 -2.916 1.00 0.64 C ATOM 0 HA PRO A 87 -12.439 -5.576 -1.074 1.00 0.71 H new ATOM 0 HB2 PRO A 87 -14.518 -3.699 -1.470 1.00 0.74 H new ATOM 0 HB3 PRO A 87 -13.333 -4.114 -2.692 1.00 0.74 H new ATOM 0 HG2 PRO A 87 -16.155 -5.188 -2.356 1.00 0.70 H new ATOM 0 HG3 PRO A 87 -15.300 -4.813 -3.839 1.00 0.70 H new ATOM 0 HD2 PRO A 87 -15.500 -7.390 -3.007 1.00 0.64 H new ATOM 0 HD3 PRO A 87 -14.032 -6.832 -3.785 1.00 0.64 H new ATOM 1399 N GLU A 88 -15.109 -5.939 0.725 1.00 0.56 N ATOM 1400 CA GLU A 88 -15.604 -5.829 2.087 1.00 0.64 C ATOM 1401 C GLU A 88 -14.740 -6.634 3.074 1.00 0.98 C ATOM 1402 O GLU A 88 -14.304 -6.080 4.079 1.00 1.15 O ATOM 1403 CB GLU A 88 -17.092 -6.197 2.031 1.00 0.88 C ATOM 1404 CG GLU A 88 -17.858 -5.887 3.312 1.00 1.64 C ATOM 1405 CD GLU A 88 -17.714 -6.999 4.347 1.00 2.69 C ATOM 1406 OE1 GLU A 88 -17.836 -8.190 3.969 1.00 3.52 O ATOM 1407 OE2 GLU A 88 -17.467 -6.682 5.536 1.00 3.68 O ATOM 0 H GLU A 88 -15.714 -6.485 0.112 1.00 0.56 H new ATOM 0 HA GLU A 88 -15.522 -4.819 2.487 1.00 0.64 H new ATOM 0 HB2 GLU A 88 -17.557 -5.661 1.204 1.00 0.88 H new ATOM 0 HB3 GLU A 88 -17.184 -7.261 1.814 1.00 0.88 H new ATOM 0 HG2 GLU A 88 -17.495 -4.950 3.734 1.00 1.64 H new ATOM 0 HG3 GLU A 88 -18.913 -5.744 3.078 1.00 1.64 H new ATOM 1414 N VAL A 89 -14.369 -7.873 2.742 1.00 0.78 N ATOM 1415 CA VAL A 89 -13.464 -8.706 3.561 1.00 0.80 C ATOM 1416 C VAL A 89 -12.060 -8.084 3.630 1.00 0.99 C ATOM 1417 O VAL A 89 -11.463 -8.047 4.709 1.00 0.90 O ATOM 1418 CB VAL A 89 -13.369 -10.148 3.012 1.00 0.83 C ATOM 1419 CG1 VAL A 89 -12.434 -11.037 3.851 1.00 1.05 C ATOM 1420 CG2 VAL A 89 -14.754 -10.820 3.003 1.00 1.11 C ATOM 0 H VAL A 89 -14.687 -8.337 1.891 1.00 0.78 H new ATOM 0 HA VAL A 89 -13.885 -8.747 4.566 1.00 0.80 H new ATOM 0 HB VAL A 89 -12.970 -10.056 2.002 1.00 0.83 H new ATOM 0 HG11 VAL A 89 -12.403 -12.039 3.423 1.00 1.05 H new ATOM 0 HG12 VAL A 89 -11.431 -10.611 3.851 1.00 1.05 H new ATOM 0 HG13 VAL A 89 -12.805 -11.091 4.874 1.00 1.05 H new ATOM 0 HG21 VAL A 89 -14.664 -11.834 2.613 1.00 1.11 H new ATOM 0 HG22 VAL A 89 -15.148 -10.856 4.019 1.00 1.11 H new ATOM 0 HG23 VAL A 89 -15.432 -10.247 2.371 1.00 1.11 H new ATOM 1430 N ALA A 90 -11.559 -7.563 2.500 1.00 0.77 N ATOM 1431 CA ALA A 90 -10.291 -6.839 2.423 1.00 0.76 C ATOM 1432 C ALA A 90 -10.301 -5.544 3.265 1.00 0.89 C ATOM 1433 O ALA A 90 -9.313 -5.244 3.936 1.00 0.93 O ATOM 1434 CB ALA A 90 -9.977 -6.595 0.935 1.00 0.81 C ATOM 0 H ALA A 90 -12.035 -7.637 1.601 1.00 0.77 H new ATOM 0 HA ALA A 90 -9.492 -7.437 2.862 1.00 0.76 H new ATOM 0 HB1 ALA A 90 -9.034 -6.055 0.846 1.00 0.81 H new ATOM 0 HB2 ALA A 90 -9.898 -7.551 0.418 1.00 0.81 H new ATOM 0 HB3 ALA A 90 -10.776 -6.005 0.486 1.00 0.81 H new ATOM 1440 N ASP A 91 -11.399 -4.785 3.274 1.00 0.64 N ATOM 1441 CA ASP A 91 -11.529 -3.551 4.060 1.00 0.62 C ATOM 1442 C ASP A 91 -11.644 -3.793 5.560 1.00 0.99 C ATOM 1443 O ASP A 91 -10.977 -3.089 6.319 1.00 1.02 O ATOM 1444 CB ASP A 91 -12.702 -2.708 3.557 1.00 0.63 C ATOM 1445 CG ASP A 91 -12.699 -1.333 4.232 1.00 0.73 C ATOM 1446 OD1 ASP A 91 -11.775 -0.521 3.990 1.00 1.88 O ATOM 1447 OD2 ASP A 91 -13.596 -1.077 5.064 1.00 1.73 O ATOM 0 H ASP A 91 -12.233 -5.010 2.731 1.00 0.64 H new ATOM 0 HA ASP A 91 -10.601 -2.999 3.912 1.00 0.62 H new ATOM 0 HB2 ASP A 91 -12.636 -2.589 2.475 1.00 0.63 H new ATOM 0 HB3 ASP A 91 -13.642 -3.220 3.764 1.00 0.63 H new ATOM 1452 N ARG A 92 -12.411 -4.798 6.010 1.00 0.72 N ATOM 1453 CA ARG A 92 -12.402 -5.208 7.423 1.00 0.74 C ATOM 1454 C ARG A 92 -10.988 -5.525 7.897 1.00 1.16 C ATOM 1455 O ARG A 92 -10.574 -5.098 8.973 1.00 1.45 O ATOM 1456 CB ARG A 92 -13.242 -6.467 7.666 1.00 0.82 C ATOM 1457 CG ARG A 92 -14.728 -6.300 7.375 1.00 1.38 C ATOM 1458 CD ARG A 92 -15.607 -7.274 8.171 1.00 1.48 C ATOM 1459 NE ARG A 92 -15.192 -8.686 8.015 1.00 2.63 N ATOM 1460 CZ ARG A 92 -15.606 -9.508 7.056 1.00 3.74 C ATOM 1461 NH1 ARG A 92 -16.458 -9.123 6.147 1.00 3.79 N ATOM 1462 NH2 ARG A 92 -15.171 -10.750 7.002 1.00 5.52 N ATOM 0 H ARG A 92 -13.042 -5.339 5.419 1.00 0.72 H new ATOM 0 HA ARG A 92 -12.821 -4.366 7.974 1.00 0.74 H new ATOM 0 HB2 ARG A 92 -12.852 -7.274 7.046 1.00 0.82 H new ATOM 0 HB3 ARG A 92 -13.120 -6.775 8.704 1.00 0.82 H new ATOM 0 HG2 ARG A 92 -15.026 -5.277 7.607 1.00 1.38 H new ATOM 0 HG3 ARG A 92 -14.903 -6.449 6.309 1.00 1.38 H new ATOM 0 HD2 ARG A 92 -15.573 -7.006 9.227 1.00 1.48 H new ATOM 0 HD3 ARG A 92 -16.643 -7.167 7.848 1.00 1.48 H new ATOM 0 HE ARG A 92 -14.534 -9.059 8.700 1.00 2.63 H new ATOM 0 HH11 ARG A 92 -16.823 -8.171 6.161 1.00 3.79 H new ATOM 0 HH12 ARG A 92 -16.759 -9.774 5.422 1.00 3.79 H new ATOM 0 HH21 ARG A 92 -14.510 -11.090 7.701 1.00 5.52 H new ATOM 0 HH22 ARG A 92 -15.495 -11.372 6.262 1.00 5.52 H new ATOM 1476 N TYR A 93 -10.259 -6.299 7.101 1.00 0.72 N ATOM 1477 CA TYR A 93 -8.883 -6.717 7.389 1.00 0.74 C ATOM 1478 C TYR A 93 -7.898 -5.546 7.549 1.00 1.05 C ATOM 1479 O TYR A 93 -7.238 -5.444 8.582 1.00 1.23 O ATOM 1480 CB TYR A 93 -8.428 -7.658 6.278 1.00 0.86 C ATOM 1481 CG TYR A 93 -6.988 -8.106 6.394 1.00 1.15 C ATOM 1482 CD1 TYR A 93 -6.581 -8.822 7.534 1.00 1.69 C ATOM 1483 CD2 TYR A 93 -6.076 -7.849 5.351 1.00 2.69 C ATOM 1484 CE1 TYR A 93 -5.282 -9.359 7.599 1.00 1.76 C ATOM 1485 CE2 TYR A 93 -4.769 -8.366 5.416 1.00 3.22 C ATOM 1486 CZ TYR A 93 -4.383 -9.142 6.530 1.00 2.17 C ATOM 1487 OH TYR A 93 -3.145 -9.699 6.568 1.00 2.79 O ATOM 0 H TYR A 93 -10.612 -6.664 6.216 1.00 0.72 H new ATOM 0 HA TYR A 93 -8.883 -7.222 8.355 1.00 0.74 H new ATOM 0 HB2 TYR A 93 -9.071 -8.538 6.277 1.00 0.86 H new ATOM 0 HB3 TYR A 93 -8.566 -7.161 5.318 1.00 0.86 H new ATOM 0 HD1 TYR A 93 -7.265 -8.960 8.359 1.00 1.69 H new ATOM 0 HD2 TYR A 93 -6.380 -7.255 4.502 1.00 2.69 H new ATOM 0 HE1 TYR A 93 -4.974 -9.933 8.460 1.00 1.76 H new ATOM 0 HE2 TYR A 93 -4.066 -8.171 4.619 1.00 3.22 H new ATOM 0 HH TYR A 93 -2.853 -9.785 7.500 1.00 2.79 H new ATOM 1497 N ALA A 94 -7.845 -4.648 6.563 1.00 0.65 N ATOM 1498 CA ALA A 94 -7.166 -3.351 6.644 1.00 0.70 C ATOM 1499 C ALA A 94 -7.515 -2.625 7.956 1.00 0.82 C ATOM 1500 O ALA A 94 -6.648 -2.386 8.802 1.00 0.90 O ATOM 1501 CB ALA A 94 -7.596 -2.597 5.370 1.00 0.86 C ATOM 0 H ALA A 94 -8.287 -4.807 5.658 1.00 0.65 H new ATOM 0 HA ALA A 94 -6.080 -3.436 6.677 1.00 0.70 H new ATOM 0 HB1 ALA A 94 -7.129 -1.612 5.355 1.00 0.86 H new ATOM 0 HB2 ALA A 94 -7.284 -3.161 4.491 1.00 0.86 H new ATOM 0 HB3 ALA A 94 -8.680 -2.484 5.362 1.00 0.86 H new ATOM 1507 N LYS A 95 -8.802 -2.372 8.192 1.00 0.61 N ATOM 1508 CA LYS A 95 -9.266 -1.633 9.369 1.00 0.64 C ATOM 1509 C LYS A 95 -8.990 -2.357 10.708 1.00 0.90 C ATOM 1510 O LYS A 95 -8.822 -1.673 11.720 1.00 1.11 O ATOM 1511 CB LYS A 95 -10.752 -1.285 9.179 1.00 0.81 C ATOM 1512 CG LYS A 95 -11.116 0.187 9.422 1.00 1.45 C ATOM 1513 CD LYS A 95 -10.586 1.147 8.341 1.00 1.42 C ATOM 1514 CE LYS A 95 -10.936 0.772 6.891 1.00 1.76 C ATOM 1515 NZ LYS A 95 -12.385 0.683 6.627 1.00 1.37 N ATOM 0 H LYS A 95 -9.554 -2.673 7.573 1.00 0.61 H new ATOM 0 HA LYS A 95 -8.685 -0.714 9.445 1.00 0.64 H new ATOM 0 HB2 LYS A 95 -11.044 -1.552 8.163 1.00 0.81 H new ATOM 0 HB3 LYS A 95 -11.343 -1.905 9.854 1.00 0.81 H new ATOM 0 HG2 LYS A 95 -12.201 0.279 9.475 1.00 1.45 H new ATOM 0 HG3 LYS A 95 -10.722 0.493 10.391 1.00 1.45 H new ATOM 0 HD2 LYS A 95 -10.976 2.145 8.544 1.00 1.42 H new ATOM 0 HD3 LYS A 95 -9.501 1.204 8.431 1.00 1.42 H new ATOM 0 HE2 LYS A 95 -10.500 1.512 6.220 1.00 1.76 H new ATOM 0 HE3 LYS A 95 -10.474 -0.186 6.653 1.00 1.76 H new ATOM 0 HZ1 LYS A 95 -12.641 -0.304 6.423 1.00 1.37 H new ATOM 0 HZ2 LYS A 95 -12.911 1.012 7.462 1.00 1.37 H new ATOM 0 HZ3 LYS A 95 -12.626 1.279 5.810 1.00 1.37 H new ATOM 1529 N ALA A 96 -8.884 -3.695 10.729 1.00 0.69 N ATOM 1530 CA ALA A 96 -8.575 -4.482 11.931 1.00 0.76 C ATOM 1531 C ALA A 96 -7.130 -4.315 12.433 1.00 0.98 C ATOM 1532 O ALA A 96 -6.894 -4.471 13.629 1.00 1.19 O ATOM 1533 CB ALA A 96 -8.891 -5.956 11.650 1.00 0.88 C ATOM 0 H ALA A 96 -9.013 -4.269 9.896 1.00 0.69 H new ATOM 0 HA ALA A 96 -9.201 -4.102 12.739 1.00 0.76 H new ATOM 0 HB1 ALA A 96 -8.666 -6.551 12.535 1.00 0.88 H new ATOM 0 HB2 ALA A 96 -9.947 -6.061 11.401 1.00 0.88 H new ATOM 0 HB3 ALA A 96 -8.285 -6.305 10.814 1.00 0.88 H new ATOM 1539 N PHE A 97 -6.185 -3.953 11.556 1.00 0.92 N ATOM 1540 CA PHE A 97 -4.878 -3.445 11.982 1.00 1.01 C ATOM 1541 C PHE A 97 -4.946 -1.973 12.379 1.00 1.82 C ATOM 1542 O PHE A 97 -4.393 -1.589 13.412 1.00 2.14 O ATOM 1543 CB PHE A 97 -3.831 -3.690 10.886 1.00 1.15 C ATOM 1544 CG PHE A 97 -3.325 -5.108 10.966 1.00 1.27 C ATOM 1545 CD1 PHE A 97 -2.247 -5.404 11.819 1.00 1.72 C ATOM 1546 CD2 PHE A 97 -4.028 -6.142 10.328 1.00 2.40 C ATOM 1547 CE1 PHE A 97 -1.898 -6.742 12.066 1.00 1.79 C ATOM 1548 CE2 PHE A 97 -3.686 -7.477 10.583 1.00 2.36 C ATOM 1549 CZ PHE A 97 -2.634 -7.778 11.468 1.00 1.52 C ATOM 0 H PHE A 97 -6.304 -4.003 10.544 1.00 0.92 H new ATOM 0 HA PHE A 97 -4.573 -3.994 12.873 1.00 1.01 H new ATOM 0 HB2 PHE A 97 -4.269 -3.506 9.905 1.00 1.15 H new ATOM 0 HB3 PHE A 97 -3.002 -2.992 11.001 1.00 1.15 H new ATOM 0 HD1 PHE A 97 -1.689 -4.604 12.283 1.00 1.72 H new ATOM 0 HD2 PHE A 97 -4.830 -5.910 9.643 1.00 2.40 H new ATOM 0 HE1 PHE A 97 -1.066 -6.974 12.714 1.00 1.79 H new ATOM 0 HE2 PHE A 97 -4.230 -8.275 10.100 1.00 2.36 H new ATOM 0 HZ PHE A 97 -2.392 -8.807 11.688 1.00 1.52 H new ATOM 1559 N HIS A 98 -5.610 -1.135 11.575 1.00 1.08 N ATOM 1560 CA HIS A 98 -5.713 0.296 11.865 1.00 1.13 C ATOM 1561 C HIS A 98 -6.750 1.035 11.001 1.00 1.41 C ATOM 1562 O HIS A 98 -6.838 0.753 9.803 1.00 1.53 O ATOM 1563 CB HIS A 98 -4.326 0.938 11.672 1.00 1.25 C ATOM 1564 CG HIS A 98 -4.051 2.031 12.665 1.00 1.50 C ATOM 1565 ND1 HIS A 98 -3.859 3.367 12.403 1.00 2.12 N ATOM 1566 CD2 HIS A 98 -3.956 1.871 14.021 1.00 2.36 C ATOM 1567 CE1 HIS A 98 -3.695 3.992 13.579 1.00 2.95 C ATOM 1568 NE2 HIS A 98 -3.732 3.117 14.597 1.00 3.11 N ATOM 0 H HIS A 98 -6.083 -1.425 10.719 1.00 1.08 H new ATOM 0 HA HIS A 98 -6.058 0.390 12.895 1.00 1.13 H new ATOM 0 HB2 HIS A 98 -3.558 0.169 11.762 1.00 1.25 H new ATOM 0 HB3 HIS A 98 -4.255 1.343 10.663 1.00 1.25 H new ATOM 0 HD2 HIS A 98 -4.041 0.935 14.554 1.00 2.36 H new ATOM 0 HE1 HIS A 98 -3.552 5.057 13.692 1.00 2.95 H new ATOM 0 HE2 HIS A 98 -3.619 3.324 15.589 1.00 3.11 H new ATOM 1577 N PRO A 99 -7.452 2.061 11.529 1.00 1.25 N ATOM 1578 CA PRO A 99 -8.431 2.835 10.764 1.00 1.53 C ATOM 1579 C PRO A 99 -7.863 3.623 9.572 1.00 1.90 C ATOM 1580 O PRO A 99 -8.645 4.038 8.724 1.00 1.89 O ATOM 1581 CB PRO A 99 -9.122 3.758 11.778 1.00 1.79 C ATOM 1582 CG PRO A 99 -8.103 3.888 12.905 1.00 1.69 C ATOM 1583 CD PRO A 99 -7.458 2.506 12.916 1.00 1.34 C ATOM 0 HA PRO A 99 -9.125 2.145 10.283 1.00 1.53 H new ATOM 0 HB2 PRO A 99 -9.359 4.727 11.340 1.00 1.79 H new ATOM 0 HB3 PRO A 99 -10.060 3.331 12.134 1.00 1.79 H new ATOM 0 HG2 PRO A 99 -7.376 4.675 12.708 1.00 1.69 H new ATOM 0 HG3 PRO A 99 -8.577 4.124 13.858 1.00 1.69 H new ATOM 0 HD2 PRO A 99 -6.445 2.550 13.317 1.00 1.34 H new ATOM 0 HD3 PRO A 99 -8.021 1.817 13.546 1.00 1.34 H new ATOM 1591 N SER A 100 -6.540 3.820 9.470 1.00 1.82 N ATOM 1592 CA SER A 100 -5.929 4.556 8.344 1.00 2.06 C ATOM 1593 C SER A 100 -5.622 3.680 7.104 1.00 2.08 C ATOM 1594 O SER A 100 -5.035 4.173 6.132 1.00 2.28 O ATOM 1595 CB SER A 100 -4.682 5.320 8.836 1.00 2.33 C ATOM 1596 OG SER A 100 -4.476 6.496 8.066 1.00 3.17 O ATOM 0 H SER A 100 -5.866 3.479 10.156 1.00 1.82 H new ATOM 0 HA SER A 100 -6.673 5.270 7.992 1.00 2.06 H new ATOM 0 HB2 SER A 100 -4.802 5.584 9.887 1.00 2.33 H new ATOM 0 HB3 SER A 100 -3.805 4.676 8.768 1.00 2.33 H new ATOM 0 HG SER A 100 -3.910 7.120 8.567 1.00 3.17 H new ATOM 1602 N PHE A 101 -6.002 2.386 7.116 1.00 1.72 N ATOM 1603 CA PHE A 101 -5.908 1.512 5.943 1.00 1.58 C ATOM 1604 C PHE A 101 -7.285 1.417 5.279 1.00 1.94 C ATOM 1605 O PHE A 101 -8.276 1.203 5.973 1.00 2.36 O ATOM 1606 CB PHE A 101 -5.451 0.100 6.341 1.00 1.59 C ATOM 1607 CG PHE A 101 -4.108 -0.018 7.018 1.00 1.68 C ATOM 1608 CD1 PHE A 101 -2.937 0.291 6.316 1.00 2.85 C ATOM 1609 CD2 PHE A 101 -4.013 -0.522 8.325 1.00 2.22 C ATOM 1610 CE1 PHE A 101 -1.690 0.247 6.959 1.00 2.91 C ATOM 1611 CE2 PHE A 101 -2.766 -0.627 8.954 1.00 2.37 C ATOM 1612 CZ PHE A 101 -1.609 -0.196 8.286 1.00 2.12 C ATOM 0 H PHE A 101 -6.382 1.924 7.942 1.00 1.72 H new ATOM 0 HA PHE A 101 -5.176 1.935 5.255 1.00 1.58 H new ATOM 0 HB2 PHE A 101 -6.204 -0.326 7.005 1.00 1.59 H new ATOM 0 HB3 PHE A 101 -5.433 -0.517 5.442 1.00 1.59 H new ATOM 0 HD1 PHE A 101 -2.993 0.565 5.273 1.00 2.85 H new ATOM 0 HD2 PHE A 101 -4.906 -0.830 8.848 1.00 2.22 H new ATOM 0 HE1 PHE A 101 -0.797 0.553 6.434 1.00 2.91 H new ATOM 0 HE2 PHE A 101 -2.695 -1.038 9.950 1.00 2.37 H new ATOM 0 HZ PHE A 101 -0.656 -0.206 8.795 1.00 2.12 H new ATOM 1622 N LEU A 102 -7.359 1.502 3.949 1.00 1.01 N ATOM 1623 CA LEU A 102 -8.565 1.154 3.171 1.00 0.78 C ATOM 1624 C LEU A 102 -8.345 -0.175 2.449 1.00 1.00 C ATOM 1625 O LEU A 102 -7.246 -0.378 1.939 1.00 1.32 O ATOM 1626 CB LEU A 102 -8.837 2.239 2.111 1.00 0.91 C ATOM 1627 CG LEU A 102 -9.498 3.551 2.561 1.00 1.47 C ATOM 1628 CD1 LEU A 102 -10.923 3.297 3.082 1.00 1.98 C ATOM 1629 CD2 LEU A 102 -8.683 4.344 3.596 1.00 3.05 C ATOM 0 H LEU A 102 -6.580 1.816 3.370 1.00 1.01 H new ATOM 0 HA LEU A 102 -9.411 1.078 3.854 1.00 0.78 H new ATOM 0 HB2 LEU A 102 -7.886 2.490 1.642 1.00 0.91 H new ATOM 0 HB3 LEU A 102 -9.467 1.798 1.338 1.00 0.91 H new ATOM 0 HG LEU A 102 -9.540 4.176 1.669 1.00 1.47 H new ATOM 0 HD11 LEU A 102 -11.370 4.241 3.394 1.00 1.98 H new ATOM 0 HD12 LEU A 102 -11.527 2.855 2.290 1.00 1.98 H new ATOM 0 HD13 LEU A 102 -10.884 2.615 3.932 1.00 1.98 H new ATOM 0 HD21 LEU A 102 -9.219 5.256 3.860 1.00 3.05 H new ATOM 0 HD22 LEU A 102 -8.539 3.736 4.489 1.00 3.05 H new ATOM 0 HD23 LEU A 102 -7.712 4.604 3.173 1.00 3.05 H new ATOM 1641 N GLY A 103 -9.358 -1.044 2.343 1.00 0.58 N ATOM 1642 CA GLY A 103 -9.277 -2.277 1.542 1.00 0.63 C ATOM 1643 C GLY A 103 -9.963 -2.134 0.186 1.00 0.71 C ATOM 1644 O GLY A 103 -11.161 -1.855 0.113 1.00 0.83 O ATOM 0 H GLY A 103 -10.256 -0.915 2.808 1.00 0.58 H new ATOM 0 HA2 GLY A 103 -8.230 -2.541 1.391 1.00 0.63 H new ATOM 0 HA3 GLY A 103 -9.736 -3.097 2.094 1.00 0.63 H new ATOM 1648 N LEU A 104 -9.191 -2.331 -0.884 1.00 0.50 N ATOM 1649 CA LEU A 104 -9.640 -2.239 -2.268 1.00 0.53 C ATOM 1650 C LEU A 104 -9.508 -3.597 -2.976 1.00 1.14 C ATOM 1651 O LEU A 104 -8.437 -4.205 -3.001 1.00 1.40 O ATOM 1652 CB LEU A 104 -8.807 -1.161 -2.985 1.00 0.63 C ATOM 1653 CG LEU A 104 -9.101 0.317 -2.647 1.00 0.73 C ATOM 1654 CD1 LEU A 104 -10.486 0.768 -3.128 1.00 2.33 C ATOM 1655 CD2 LEU A 104 -8.966 0.702 -1.167 1.00 1.92 C ATOM 0 H LEU A 104 -8.202 -2.567 -0.804 1.00 0.50 H new ATOM 0 HA LEU A 104 -10.694 -1.961 -2.294 1.00 0.53 H new ATOM 0 HB2 LEU A 104 -7.756 -1.351 -2.770 1.00 0.63 H new ATOM 0 HB3 LEU A 104 -8.941 -1.293 -4.059 1.00 0.63 H new ATOM 0 HG LEU A 104 -8.313 0.837 -3.192 1.00 0.73 H new ATOM 0 HD11 LEU A 104 -10.640 1.814 -2.864 1.00 2.33 H new ATOM 0 HD12 LEU A 104 -10.551 0.653 -4.210 1.00 2.33 H new ATOM 0 HD13 LEU A 104 -11.253 0.157 -2.652 1.00 2.33 H new ATOM 0 HD21 LEU A 104 -9.195 1.761 -1.044 1.00 1.92 H new ATOM 0 HD22 LEU A 104 -9.661 0.109 -0.572 1.00 1.92 H new ATOM 0 HD23 LEU A 104 -7.947 0.510 -0.833 1.00 1.92 H new ATOM 1667 N SER A 105 -10.610 -4.068 -3.552 1.00 0.53 N ATOM 1668 CA SER A 105 -10.676 -5.241 -4.427 1.00 0.62 C ATOM 1669 C SER A 105 -11.765 -5.050 -5.471 1.00 0.85 C ATOM 1670 O SER A 105 -12.835 -4.527 -5.152 1.00 1.15 O ATOM 1671 CB SER A 105 -11.002 -6.492 -3.624 1.00 0.73 C ATOM 1672 OG SER A 105 -11.129 -7.643 -4.449 1.00 1.23 O ATOM 0 H SER A 105 -11.520 -3.627 -3.418 1.00 0.53 H new ATOM 0 HA SER A 105 -9.705 -5.355 -4.908 1.00 0.62 H new ATOM 0 HB2 SER A 105 -10.219 -6.662 -2.885 1.00 0.73 H new ATOM 0 HB3 SER A 105 -11.930 -6.337 -3.074 1.00 0.73 H new ATOM 0 HG SER A 105 -11.184 -8.444 -3.887 1.00 1.23 H new ATOM 1678 N GLY A 106 -11.538 -5.501 -6.701 1.00 0.70 N ATOM 1679 CA GLY A 106 -12.442 -5.187 -7.795 1.00 0.76 C ATOM 1680 C GLY A 106 -12.333 -6.093 -8.998 1.00 0.87 C ATOM 1681 O GLY A 106 -11.894 -7.243 -8.929 1.00 1.03 O ATOM 0 H GLY A 106 -10.740 -6.081 -6.961 1.00 0.70 H new ATOM 0 HA2 GLY A 106 -13.466 -5.226 -7.422 1.00 0.76 H new ATOM 0 HA3 GLY A 106 -12.258 -4.161 -8.115 1.00 0.76 H new ATOM 1685 N SER A 107 -12.775 -5.532 -10.111 1.00 0.72 N ATOM 1686 CA SER A 107 -12.650 -6.105 -11.447 1.00 0.77 C ATOM 1687 C SER A 107 -11.181 -6.410 -11.807 1.00 0.95 C ATOM 1688 O SER A 107 -10.281 -5.641 -11.431 1.00 1.00 O ATOM 1689 CB SER A 107 -13.309 -5.164 -12.471 1.00 0.90 C ATOM 1690 OG SER A 107 -12.899 -3.814 -12.320 1.00 1.68 O ATOM 0 H SER A 107 -13.250 -4.629 -10.112 1.00 0.72 H new ATOM 0 HA SER A 107 -13.170 -7.063 -11.467 1.00 0.77 H new ATOM 0 HB2 SER A 107 -13.065 -5.502 -13.478 1.00 0.90 H new ATOM 0 HB3 SER A 107 -14.392 -5.224 -12.368 1.00 0.90 H new ATOM 0 HG SER A 107 -13.518 -3.349 -11.719 1.00 1.68 H new ATOM 1696 N PRO A 108 -10.911 -7.527 -12.522 1.00 0.86 N ATOM 1697 CA PRO A 108 -9.549 -7.935 -12.856 1.00 0.98 C ATOM 1698 C PRO A 108 -8.825 -6.857 -13.673 1.00 1.15 C ATOM 1699 O PRO A 108 -7.623 -6.664 -13.494 1.00 1.01 O ATOM 1700 CB PRO A 108 -9.655 -9.279 -13.580 1.00 1.22 C ATOM 1701 CG PRO A 108 -11.108 -9.372 -14.036 1.00 1.14 C ATOM 1702 CD PRO A 108 -11.873 -8.481 -13.058 1.00 0.97 C ATOM 0 HA PRO A 108 -8.939 -8.055 -11.961 1.00 0.98 H new ATOM 0 HB2 PRO A 108 -8.972 -9.325 -14.428 1.00 1.22 H new ATOM 0 HB3 PRO A 108 -9.396 -10.105 -12.918 1.00 1.22 H new ATOM 0 HG2 PRO A 108 -11.225 -9.026 -15.063 1.00 1.14 H new ATOM 0 HG3 PRO A 108 -11.470 -10.400 -14.003 1.00 1.14 H new ATOM 0 HD2 PRO A 108 -12.690 -7.965 -13.562 1.00 0.97 H new ATOM 0 HD3 PRO A 108 -12.316 -9.075 -12.258 1.00 0.97 H new ATOM 1710 N GLU A 109 -9.566 -6.109 -14.496 1.00 0.81 N ATOM 1711 CA GLU A 109 -9.079 -4.951 -15.246 1.00 0.80 C ATOM 1712 C GLU A 109 -8.660 -3.819 -14.302 1.00 0.99 C ATOM 1713 O GLU A 109 -7.540 -3.333 -14.406 1.00 1.22 O ATOM 1714 CB GLU A 109 -10.164 -4.437 -16.216 1.00 0.95 C ATOM 1715 CG GLU A 109 -10.524 -5.407 -17.354 1.00 1.22 C ATOM 1716 CD GLU A 109 -11.092 -6.733 -16.848 1.00 2.10 C ATOM 1717 OE1 GLU A 109 -11.923 -6.687 -15.909 1.00 2.81 O ATOM 1718 OE2 GLU A 109 -10.609 -7.784 -17.318 1.00 3.10 O ATOM 0 H GLU A 109 -10.554 -6.301 -14.663 1.00 0.81 H new ATOM 0 HA GLU A 109 -8.208 -5.271 -15.818 1.00 0.80 H new ATOM 0 HB2 GLU A 109 -11.067 -4.217 -15.646 1.00 0.95 H new ATOM 0 HB3 GLU A 109 -9.826 -3.497 -16.652 1.00 0.95 H new ATOM 0 HG2 GLU A 109 -11.252 -4.933 -18.012 1.00 1.22 H new ATOM 0 HG3 GLU A 109 -9.634 -5.603 -17.952 1.00 1.22 H new ATOM 1725 N ALA A 110 -9.504 -3.416 -13.345 1.00 0.66 N ATOM 1726 CA ALA A 110 -9.201 -2.312 -12.431 1.00 0.60 C ATOM 1727 C ALA A 110 -8.040 -2.639 -11.480 1.00 0.77 C ATOM 1728 O ALA A 110 -7.121 -1.821 -11.345 1.00 0.81 O ATOM 1729 CB ALA A 110 -10.469 -1.953 -11.662 1.00 0.62 C ATOM 0 H ALA A 110 -10.415 -3.846 -13.184 1.00 0.66 H new ATOM 0 HA ALA A 110 -8.870 -1.454 -13.017 1.00 0.60 H new ATOM 0 HB1 ALA A 110 -10.259 -1.132 -10.977 1.00 0.62 H new ATOM 0 HB2 ALA A 110 -11.247 -1.650 -12.363 1.00 0.62 H new ATOM 0 HB3 ALA A 110 -10.809 -2.820 -11.096 1.00 0.62 H new ATOM 1735 N VAL A 111 -8.011 -3.845 -10.894 1.00 0.59 N ATOM 1736 CA VAL A 111 -6.837 -4.258 -10.089 1.00 0.59 C ATOM 1737 C VAL A 111 -5.570 -4.333 -10.958 1.00 0.99 C ATOM 1738 O VAL A 111 -4.480 -3.980 -10.492 1.00 0.84 O ATOM 1739 CB VAL A 111 -7.030 -5.542 -9.248 1.00 0.71 C ATOM 1740 CG1 VAL A 111 -8.225 -5.409 -8.287 1.00 2.68 C ATOM 1741 CG2 VAL A 111 -7.182 -6.806 -10.097 1.00 2.17 C ATOM 0 H VAL A 111 -8.758 -4.537 -10.954 1.00 0.59 H new ATOM 0 HA VAL A 111 -6.715 -3.469 -9.347 1.00 0.59 H new ATOM 0 HB VAL A 111 -6.113 -5.652 -8.669 1.00 0.71 H new ATOM 0 HG11 VAL A 111 -8.333 -6.328 -7.711 1.00 2.68 H new ATOM 0 HG12 VAL A 111 -8.055 -4.573 -7.608 1.00 2.68 H new ATOM 0 HG13 VAL A 111 -9.135 -5.231 -8.860 1.00 2.68 H new ATOM 0 HG21 VAL A 111 -7.314 -7.669 -9.444 1.00 2.17 H new ATOM 0 HG22 VAL A 111 -8.052 -6.706 -10.746 1.00 2.17 H new ATOM 0 HG23 VAL A 111 -6.289 -6.945 -10.706 1.00 2.17 H new ATOM 1751 N ARG A 112 -5.702 -4.704 -12.243 1.00 0.65 N ATOM 1752 CA ARG A 112 -4.585 -4.665 -13.183 1.00 0.67 C ATOM 1753 C ARG A 112 -4.179 -3.238 -13.568 1.00 0.96 C ATOM 1754 O ARG A 112 -2.977 -3.010 -13.655 1.00 1.08 O ATOM 1755 CB ARG A 112 -4.838 -5.549 -14.409 1.00 0.79 C ATOM 1756 CG ARG A 112 -3.530 -5.648 -15.207 1.00 1.39 C ATOM 1757 CD ARG A 112 -3.482 -6.842 -16.149 1.00 2.02 C ATOM 1758 NE ARG A 112 -2.085 -7.092 -16.568 1.00 3.07 N ATOM 1759 CZ ARG A 112 -1.407 -8.228 -16.518 1.00 4.34 C ATOM 1760 NH1 ARG A 112 -1.951 -9.362 -16.125 1.00 5.03 N ATOM 1761 NH2 ARG A 112 -0.136 -8.210 -16.856 1.00 5.56 N ATOM 0 H ARG A 112 -6.577 -5.034 -12.649 1.00 0.65 H new ATOM 0 HA ARG A 112 -3.728 -5.087 -12.658 1.00 0.67 H new ATOM 0 HB2 ARG A 112 -5.171 -6.540 -14.101 1.00 0.79 H new ATOM 0 HB3 ARG A 112 -5.629 -5.125 -15.027 1.00 0.79 H new ATOM 0 HG2 ARG A 112 -3.396 -4.734 -15.785 1.00 1.39 H new ATOM 0 HG3 ARG A 112 -2.693 -5.710 -14.511 1.00 1.39 H new ATOM 0 HD2 ARG A 112 -3.887 -7.725 -15.654 1.00 2.02 H new ATOM 0 HD3 ARG A 112 -4.106 -6.653 -17.023 1.00 2.02 H new ATOM 0 HE ARG A 112 -1.581 -6.288 -16.942 1.00 3.07 H new ATOM 0 HH11 ARG A 112 -2.931 -9.387 -15.844 1.00 5.03 H new ATOM 0 HH12 ARG A 112 -1.392 -10.215 -16.102 1.00 5.03 H new ATOM 0 HH21 ARG A 112 0.302 -7.336 -17.147 1.00 5.56 H new ATOM 0 HH22 ARG A 112 0.412 -9.070 -16.827 1.00 5.56 H new ATOM 1775 N GLU A 113 -5.086 -2.280 -13.747 1.00 0.65 N ATOM 1776 CA GLU A 113 -4.730 -0.884 -14.039 1.00 0.70 C ATOM 1777 C GLU A 113 -3.832 -0.313 -12.934 1.00 1.00 C ATOM 1778 O GLU A 113 -2.759 0.232 -13.207 1.00 1.04 O ATOM 1779 CB GLU A 113 -5.983 -0.030 -14.231 1.00 0.83 C ATOM 1780 CG GLU A 113 -6.594 -0.274 -15.615 1.00 1.14 C ATOM 1781 CD GLU A 113 -5.867 0.461 -16.742 1.00 1.84 C ATOM 1782 OE1 GLU A 113 -4.836 -0.070 -17.212 1.00 2.63 O ATOM 1783 OE2 GLU A 113 -6.359 1.546 -17.120 1.00 2.72 O ATOM 0 H GLU A 113 -6.091 -2.445 -13.695 1.00 0.65 H new ATOM 0 HA GLU A 113 -4.169 -0.862 -14.973 1.00 0.70 H new ATOM 0 HB2 GLU A 113 -6.714 -0.267 -13.458 1.00 0.83 H new ATOM 0 HB3 GLU A 113 -5.732 1.025 -14.119 1.00 0.83 H new ATOM 0 HG2 GLU A 113 -6.584 -1.344 -15.824 1.00 1.14 H new ATOM 0 HG3 GLU A 113 -7.638 0.039 -15.603 1.00 1.14 H new ATOM 1790 N ALA A 114 -4.210 -0.534 -11.667 1.00 0.59 N ATOM 1791 CA ALA A 114 -3.395 -0.161 -10.506 1.00 0.59 C ATOM 1792 C ALA A 114 -2.021 -0.857 -10.515 1.00 0.85 C ATOM 1793 O ALA A 114 -0.982 -0.210 -10.378 1.00 0.94 O ATOM 1794 CB ALA A 114 -4.191 -0.510 -9.244 1.00 0.64 C ATOM 0 H ALA A 114 -5.094 -0.979 -11.419 1.00 0.59 H new ATOM 0 HA ALA A 114 -3.185 0.908 -10.536 1.00 0.59 H new ATOM 0 HB1 ALA A 114 -3.609 -0.243 -8.362 1.00 0.64 H new ATOM 0 HB2 ALA A 114 -5.130 0.044 -9.241 1.00 0.64 H new ATOM 0 HB3 ALA A 114 -4.401 -1.579 -9.231 1.00 0.64 H new ATOM 1800 N ALA A 115 -2.001 -2.177 -10.694 1.00 0.56 N ATOM 1801 CA ALA A 115 -0.765 -2.957 -10.742 1.00 0.57 C ATOM 1802 C ALA A 115 0.169 -2.510 -11.880 1.00 0.79 C ATOM 1803 O ALA A 115 1.349 -2.249 -11.640 1.00 0.89 O ATOM 1804 CB ALA A 115 -1.148 -4.432 -10.881 1.00 0.60 C ATOM 0 H ALA A 115 -2.845 -2.738 -10.810 1.00 0.56 H new ATOM 0 HA ALA A 115 -0.202 -2.796 -9.823 1.00 0.57 H new ATOM 0 HB1 ALA A 115 -0.244 -5.040 -10.920 1.00 0.60 H new ATOM 0 HB2 ALA A 115 -1.752 -4.733 -10.025 1.00 0.60 H new ATOM 0 HB3 ALA A 115 -1.721 -4.574 -11.797 1.00 0.60 H new ATOM 1810 N GLN A 116 -0.341 -2.398 -13.108 1.00 0.67 N ATOM 1811 CA GLN A 116 0.415 -1.986 -14.289 1.00 0.78 C ATOM 1812 C GLN A 116 1.011 -0.595 -14.112 1.00 1.11 C ATOM 1813 O GLN A 116 2.167 -0.388 -14.481 1.00 1.22 O ATOM 1814 CB GLN A 116 -0.500 -1.979 -15.530 1.00 0.90 C ATOM 1815 CG GLN A 116 -0.838 -3.377 -16.074 1.00 1.29 C ATOM 1816 CD GLN A 116 0.315 -4.151 -16.714 1.00 1.94 C ATOM 1817 OE1 GLN A 116 0.251 -5.368 -16.863 1.00 2.20 O ATOM 1818 NE2 GLN A 116 1.400 -3.516 -17.115 1.00 3.01 N ATOM 0 H GLN A 116 -1.320 -2.598 -13.313 1.00 0.67 H new ATOM 0 HA GLN A 116 1.226 -2.702 -14.423 1.00 0.78 H new ATOM 0 HB2 GLN A 116 -1.428 -1.465 -15.280 1.00 0.90 H new ATOM 0 HB3 GLN A 116 -0.018 -1.401 -16.319 1.00 0.90 H new ATOM 0 HG2 GLN A 116 -1.239 -3.975 -15.256 1.00 1.29 H new ATOM 0 HG3 GLN A 116 -1.633 -3.274 -16.813 1.00 1.29 H new ATOM 0 HE21 GLN A 116 1.471 -2.505 -17.000 1.00 3.01 H new ATOM 0 HE22 GLN A 116 2.167 -4.036 -17.540 1.00 3.01 H new ATOM 1827 N THR A 117 0.238 0.334 -13.530 1.00 0.76 N ATOM 1828 CA THR A 117 0.650 1.736 -13.369 1.00 0.82 C ATOM 1829 C THR A 117 1.818 1.856 -12.402 1.00 1.07 C ATOM 1830 O THR A 117 2.763 2.601 -12.667 1.00 1.02 O ATOM 1831 CB THR A 117 -0.544 2.594 -12.923 1.00 0.87 C ATOM 1832 OG1 THR A 117 -1.512 2.545 -13.937 1.00 1.25 O ATOM 1833 CG2 THR A 117 -0.158 4.063 -12.738 1.00 1.03 C ATOM 0 H THR A 117 -0.690 0.134 -13.158 1.00 0.76 H new ATOM 0 HA THR A 117 0.992 2.110 -14.334 1.00 0.82 H new ATOM 0 HB THR A 117 -0.906 2.203 -11.972 1.00 0.87 H new ATOM 0 HG1 THR A 117 -2.076 1.753 -13.813 1.00 1.25 H new ATOM 0 HG21 THR A 117 -1.033 4.632 -12.423 1.00 1.03 H new ATOM 0 HG22 THR A 117 0.620 4.142 -11.978 1.00 1.03 H new ATOM 0 HG23 THR A 117 0.214 4.463 -13.681 1.00 1.03 H new ATOM 1841 N PHE A 118 1.764 1.133 -11.285 1.00 0.76 N ATOM 1842 CA PHE A 118 2.855 1.032 -10.311 1.00 0.79 C ATOM 1843 C PHE A 118 4.035 0.133 -10.735 1.00 1.82 C ATOM 1844 O PHE A 118 5.117 0.255 -10.162 1.00 2.12 O ATOM 1845 CB PHE A 118 2.246 0.681 -8.946 1.00 0.78 C ATOM 1846 CG PHE A 118 1.643 1.912 -8.293 1.00 0.84 C ATOM 1847 CD1 PHE A 118 0.366 2.387 -8.659 1.00 2.21 C ATOM 1848 CD2 PHE A 118 2.423 2.659 -7.393 1.00 1.87 C ATOM 1849 CE1 PHE A 118 -0.125 3.591 -8.127 1.00 2.02 C ATOM 1850 CE2 PHE A 118 1.929 3.851 -6.841 1.00 2.07 C ATOM 1851 CZ PHE A 118 0.660 4.318 -7.214 1.00 1.13 C ATOM 0 H PHE A 118 0.943 0.588 -11.024 1.00 0.76 H new ATOM 0 HA PHE A 118 3.347 2.003 -10.245 1.00 0.79 H new ATOM 0 HB2 PHE A 118 1.479 -0.083 -9.071 1.00 0.78 H new ATOM 0 HB3 PHE A 118 3.014 0.259 -8.298 1.00 0.78 H new ATOM 0 HD1 PHE A 118 -0.238 1.821 -9.353 1.00 2.21 H new ATOM 0 HD2 PHE A 118 3.410 2.313 -7.124 1.00 1.87 H new ATOM 0 HE1 PHE A 118 -1.099 3.956 -8.417 1.00 2.02 H new ATOM 0 HE2 PHE A 118 2.524 4.407 -6.131 1.00 2.07 H new ATOM 0 HZ PHE A 118 0.284 5.241 -6.798 1.00 1.13 H new ATOM 1861 N GLY A 119 3.861 -0.753 -11.726 1.00 0.81 N ATOM 1862 CA GLY A 119 4.873 -1.736 -12.157 1.00 0.82 C ATOM 1863 C GLY A 119 4.814 -3.083 -11.429 1.00 0.81 C ATOM 1864 O GLY A 119 5.769 -3.851 -11.499 1.00 0.98 O ATOM 0 H GLY A 119 2.996 -0.810 -12.263 1.00 0.81 H new ATOM 0 HA2 GLY A 119 4.755 -1.912 -13.226 1.00 0.82 H new ATOM 0 HA3 GLY A 119 5.863 -1.304 -12.012 1.00 0.82 H new ATOM 1868 N VAL A 120 3.708 -3.386 -10.748 1.00 0.60 N ATOM 1869 CA VAL A 120 3.480 -4.655 -10.041 1.00 0.55 C ATOM 1870 C VAL A 120 3.091 -5.741 -11.042 1.00 0.80 C ATOM 1871 O VAL A 120 2.175 -5.575 -11.850 1.00 0.99 O ATOM 1872 CB VAL A 120 2.398 -4.525 -8.945 1.00 0.64 C ATOM 1873 CG1 VAL A 120 2.064 -5.867 -8.265 1.00 0.92 C ATOM 1874 CG2 VAL A 120 2.861 -3.538 -7.870 1.00 1.13 C ATOM 0 H VAL A 120 2.922 -2.740 -10.669 1.00 0.60 H new ATOM 0 HA VAL A 120 4.410 -4.930 -9.544 1.00 0.55 H new ATOM 0 HB VAL A 120 1.496 -4.169 -9.443 1.00 0.64 H new ATOM 0 HG11 VAL A 120 1.298 -5.709 -7.505 1.00 0.92 H new ATOM 0 HG12 VAL A 120 1.696 -6.571 -9.011 1.00 0.92 H new ATOM 0 HG13 VAL A 120 2.962 -6.271 -7.797 1.00 0.92 H new ATOM 0 HG21 VAL A 120 2.094 -3.451 -7.101 1.00 1.13 H new ATOM 0 HG22 VAL A 120 3.787 -3.898 -7.420 1.00 1.13 H new ATOM 0 HG23 VAL A 120 3.033 -2.561 -8.323 1.00 1.13 H new ATOM 1884 N PHE A 121 3.793 -6.869 -10.938 1.00 0.78 N ATOM 1885 CA PHE A 121 3.620 -8.069 -11.748 1.00 0.91 C ATOM 1886 C PHE A 121 3.148 -9.250 -10.888 1.00 1.63 C ATOM 1887 O PHE A 121 3.546 -9.411 -9.733 1.00 1.62 O ATOM 1888 CB PHE A 121 4.939 -8.372 -12.475 1.00 0.98 C ATOM 1889 CG PHE A 121 6.166 -8.449 -11.580 1.00 0.99 C ATOM 1890 CD1 PHE A 121 6.899 -7.283 -11.286 1.00 1.97 C ATOM 1891 CD2 PHE A 121 6.572 -9.683 -11.032 1.00 2.06 C ATOM 1892 CE1 PHE A 121 8.031 -7.350 -10.456 1.00 2.00 C ATOM 1893 CE2 PHE A 121 7.710 -9.749 -10.208 1.00 1.88 C ATOM 1894 CZ PHE A 121 8.441 -8.583 -9.920 1.00 1.11 C ATOM 0 H PHE A 121 4.537 -6.973 -10.248 1.00 0.78 H new ATOM 0 HA PHE A 121 2.843 -7.902 -12.494 1.00 0.91 H new ATOM 0 HB2 PHE A 121 4.835 -9.319 -13.005 1.00 0.98 H new ATOM 0 HB3 PHE A 121 5.106 -7.602 -13.228 1.00 0.98 H new ATOM 0 HD1 PHE A 121 6.590 -6.334 -11.700 1.00 1.97 H new ATOM 0 HD2 PHE A 121 6.008 -10.579 -11.245 1.00 2.06 H new ATOM 0 HE1 PHE A 121 8.587 -6.452 -10.230 1.00 2.00 H new ATOM 0 HE2 PHE A 121 8.023 -10.697 -9.796 1.00 1.88 H new ATOM 0 HZ PHE A 121 9.316 -8.635 -9.288 1.00 1.11 H new ATOM 1904 N TYR A 122 2.286 -10.077 -11.478 1.00 1.05 N ATOM 1905 CA TYR A 122 1.726 -11.287 -10.870 1.00 1.08 C ATOM 1906 C TYR A 122 1.581 -12.426 -11.899 1.00 1.50 C ATOM 1907 O TYR A 122 1.555 -12.183 -13.109 1.00 1.81 O ATOM 1908 CB TYR A 122 0.395 -10.952 -10.170 1.00 1.13 C ATOM 1909 CG TYR A 122 -0.732 -10.512 -11.088 1.00 1.38 C ATOM 1910 CD1 TYR A 122 -0.802 -9.179 -11.538 1.00 1.96 C ATOM 1911 CD2 TYR A 122 -1.718 -11.436 -11.487 1.00 2.49 C ATOM 1912 CE1 TYR A 122 -1.839 -8.773 -12.402 1.00 2.15 C ATOM 1913 CE2 TYR A 122 -2.767 -11.035 -12.334 1.00 2.75 C ATOM 1914 CZ TYR A 122 -2.824 -9.702 -12.802 1.00 2.05 C ATOM 1915 OH TYR A 122 -3.828 -9.315 -13.638 1.00 2.47 O ATOM 0 H TYR A 122 1.945 -9.919 -12.426 1.00 1.05 H new ATOM 0 HA TYR A 122 2.420 -11.654 -10.113 1.00 1.08 H new ATOM 0 HB2 TYR A 122 0.066 -11.830 -9.614 1.00 1.13 H new ATOM 0 HB3 TYR A 122 0.576 -10.162 -9.441 1.00 1.13 H new ATOM 0 HD1 TYR A 122 -0.057 -8.465 -11.219 1.00 1.96 H new ATOM 0 HD2 TYR A 122 -1.668 -12.458 -11.141 1.00 2.49 H new ATOM 0 HE1 TYR A 122 -1.880 -7.754 -12.757 1.00 2.15 H new ATOM 0 HE2 TYR A 122 -3.527 -11.744 -12.626 1.00 2.75 H new ATOM 0 HH TYR A 122 -4.419 -10.077 -13.814 1.00 2.47 H new ATOM 1925 N GLN A 123 1.471 -13.666 -11.437 1.00 1.05 N ATOM 1926 CA GLN A 123 1.228 -14.861 -12.245 1.00 1.18 C ATOM 1927 C GLN A 123 0.207 -15.738 -11.500 1.00 1.19 C ATOM 1928 O GLN A 123 -0.273 -15.342 -10.442 1.00 1.54 O ATOM 1929 CB GLN A 123 2.571 -15.582 -12.497 1.00 1.36 C ATOM 1930 CG GLN A 123 2.670 -16.250 -13.883 1.00 2.33 C ATOM 1931 CD GLN A 123 2.989 -15.317 -15.062 1.00 2.64 C ATOM 1932 OE1 GLN A 123 3.370 -15.752 -16.133 1.00 3.30 O ATOM 1933 NE2 GLN A 123 2.854 -14.009 -14.977 1.00 3.55 N ATOM 0 H GLN A 123 1.552 -13.878 -10.443 1.00 1.05 H new ATOM 0 HA GLN A 123 0.812 -14.615 -13.222 1.00 1.18 H new ATOM 0 HB2 GLN A 123 3.384 -14.863 -12.392 1.00 1.36 H new ATOM 0 HB3 GLN A 123 2.715 -16.341 -11.728 1.00 1.36 H new ATOM 0 HG2 GLN A 123 3.439 -17.021 -13.838 1.00 2.33 H new ATOM 0 HG3 GLN A 123 1.725 -16.753 -14.090 1.00 2.33 H new ATOM 0 HE21 GLN A 123 2.538 -13.585 -14.105 1.00 3.55 H new ATOM 0 HE22 GLN A 123 3.065 -13.421 -15.783 1.00 3.55 H new ATOM 1942 N LYS A 124 -0.162 -16.909 -12.030 1.00 1.30 N ATOM 1943 CA LYS A 124 -0.899 -17.892 -11.226 1.00 1.10 C ATOM 1944 C LYS A 124 -0.493 -19.339 -11.533 1.00 1.35 C ATOM 1945 O LYS A 124 -0.299 -19.710 -12.690 1.00 1.89 O ATOM 1946 CB LYS A 124 -2.417 -17.596 -11.262 1.00 1.24 C ATOM 1947 CG LYS A 124 -3.188 -17.946 -12.545 1.00 2.12 C ATOM 1948 CD LYS A 124 -3.498 -19.448 -12.680 1.00 3.65 C ATOM 1949 CE LYS A 124 -4.962 -19.742 -13.043 1.00 4.34 C ATOM 1950 NZ LYS A 124 -5.898 -19.418 -11.932 1.00 4.26 N ATOM 0 H LYS A 124 0.031 -17.196 -12.989 1.00 1.30 H new ATOM 0 HA LYS A 124 -0.608 -17.780 -10.181 1.00 1.10 H new ATOM 0 HB2 LYS A 124 -2.882 -18.133 -10.435 1.00 1.24 H new ATOM 0 HB3 LYS A 124 -2.555 -16.532 -11.069 1.00 1.24 H new ATOM 0 HG2 LYS A 124 -4.123 -17.386 -12.562 1.00 2.12 H new ATOM 0 HG3 LYS A 124 -2.607 -17.623 -13.409 1.00 2.12 H new ATOM 0 HD2 LYS A 124 -2.849 -19.877 -13.444 1.00 3.65 H new ATOM 0 HD3 LYS A 124 -3.258 -19.946 -11.741 1.00 3.65 H new ATOM 0 HE2 LYS A 124 -5.237 -19.166 -13.926 1.00 4.34 H new ATOM 0 HE3 LYS A 124 -5.064 -20.795 -13.305 1.00 4.34 H new ATOM 0 HZ1 LYS A 124 -6.872 -19.633 -12.225 1.00 4.26 H new ATOM 0 HZ2 LYS A 124 -5.654 -19.986 -11.096 1.00 4.26 H new ATOM 0 HZ3 LYS A 124 -5.822 -18.408 -11.698 1.00 4.26 H new ATOM 2120 N VAL A 135 -2.155 -17.709 -6.700 1.00 1.92 N ATOM 2121 CA VAL A 135 -1.815 -16.489 -7.435 1.00 1.69 C ATOM 2122 C VAL A 135 -0.527 -15.979 -6.800 1.00 1.70 C ATOM 2123 O VAL A 135 -0.421 -15.912 -5.573 1.00 1.90 O ATOM 2124 CB VAL A 135 -2.944 -15.437 -7.423 1.00 1.96 C ATOM 2125 CG1 VAL A 135 -3.505 -15.160 -6.020 1.00 2.22 C ATOM 2126 CG2 VAL A 135 -2.542 -14.128 -8.121 1.00 2.56 C ATOM 0 HA VAL A 135 -1.679 -16.699 -8.496 1.00 1.69 H new ATOM 0 HB VAL A 135 -3.750 -15.887 -8.003 1.00 1.96 H new ATOM 0 HG11 VAL A 135 -4.295 -14.411 -6.085 1.00 2.22 H new ATOM 0 HG12 VAL A 135 -3.912 -16.081 -5.602 1.00 2.22 H new ATOM 0 HG13 VAL A 135 -2.707 -14.791 -5.376 1.00 2.22 H new ATOM 0 HG21 VAL A 135 -3.374 -13.425 -8.083 1.00 2.56 H new ATOM 0 HG22 VAL A 135 -1.678 -13.696 -7.615 1.00 2.56 H new ATOM 0 HG23 VAL A 135 -2.288 -14.333 -9.161 1.00 2.56 H new ATOM 2136 N ASP A 136 0.462 -15.716 -7.638 1.00 1.15 N ATOM 2137 CA ASP A 136 1.837 -15.443 -7.242 1.00 1.07 C ATOM 2138 C ASP A 136 2.125 -13.964 -7.532 1.00 1.04 C ATOM 2139 O ASP A 136 2.025 -13.540 -8.682 1.00 1.22 O ATOM 2140 CB ASP A 136 2.777 -16.379 -8.029 1.00 1.45 C ATOM 2141 CG ASP A 136 2.331 -17.851 -8.032 1.00 3.27 C ATOM 2142 OD1 ASP A 136 2.616 -18.583 -7.056 1.00 4.22 O ATOM 2143 OD2 ASP A 136 1.731 -18.280 -9.051 1.00 4.31 O ATOM 0 H ASP A 136 0.327 -15.685 -8.649 1.00 1.15 H new ATOM 0 HA ASP A 136 1.998 -15.629 -6.180 1.00 1.07 H new ATOM 0 HB2 ASP A 136 2.845 -16.028 -9.059 1.00 1.45 H new ATOM 0 HB3 ASP A 136 3.778 -16.314 -7.604 1.00 1.45 H new ATOM 2148 N HIS A 137 2.456 -13.150 -6.525 1.00 0.78 N ATOM 2149 CA HIS A 137 2.720 -11.716 -6.723 1.00 0.80 C ATOM 2150 C HIS A 137 3.888 -11.179 -5.877 1.00 1.13 C ATOM 2151 O HIS A 137 4.315 -11.797 -4.900 1.00 1.34 O ATOM 2152 CB HIS A 137 1.438 -10.899 -6.472 1.00 1.24 C ATOM 2153 CG HIS A 137 1.151 -10.615 -5.013 1.00 1.53 C ATOM 2154 ND1 HIS A 137 1.599 -9.539 -4.276 1.00 2.57 N ATOM 2155 CD2 HIS A 137 0.438 -11.413 -4.159 1.00 1.84 C ATOM 2156 CE1 HIS A 137 1.194 -9.715 -3.010 1.00 2.93 C ATOM 2157 NE2 HIS A 137 0.470 -10.833 -2.884 1.00 2.40 N ATOM 0 H HIS A 137 2.549 -13.460 -5.558 1.00 0.78 H new ATOM 0 HA HIS A 137 3.030 -11.599 -7.762 1.00 0.80 H new ATOM 0 HB2 HIS A 137 1.516 -9.951 -7.005 1.00 1.24 H new ATOM 0 HB3 HIS A 137 0.591 -11.436 -6.898 1.00 1.24 H new ATOM 0 HD1 HIS A 137 2.141 -8.751 -4.630 1.00 2.57 H new ATOM 0 HD2 HIS A 137 -0.063 -12.332 -4.423 1.00 1.84 H new ATOM 0 HE1 HIS A 137 1.423 -9.042 -2.197 1.00 2.93 H new ATOM 2166 N THR A 138 4.366 -9.979 -6.230 1.00 0.83 N ATOM 2167 CA THR A 138 5.357 -9.220 -5.457 1.00 1.02 C ATOM 2168 C THR A 138 4.666 -8.427 -4.353 1.00 1.18 C ATOM 2169 O THR A 138 3.792 -7.608 -4.633 1.00 1.90 O ATOM 2170 CB THR A 138 6.149 -8.324 -6.410 1.00 1.40 C ATOM 2171 OG1 THR A 138 6.907 -9.193 -7.214 1.00 2.28 O ATOM 2172 CG2 THR A 138 7.129 -7.395 -5.700 1.00 1.82 C ATOM 0 H THR A 138 4.068 -9.499 -7.079 1.00 0.83 H new ATOM 0 HA THR A 138 6.058 -9.897 -4.968 1.00 1.02 H new ATOM 0 HB THR A 138 5.447 -7.694 -6.957 1.00 1.40 H new ATOM 0 HG1 THR A 138 7.132 -8.746 -8.056 1.00 2.28 H new ATOM 0 HG21 THR A 138 7.656 -6.789 -6.438 1.00 1.82 H new ATOM 0 HG22 THR A 138 6.583 -6.743 -5.018 1.00 1.82 H new ATOM 0 HG23 THR A 138 7.849 -7.988 -5.136 1.00 1.82 H new ATOM 2180 N ALA A 139 5.057 -8.650 -3.099 1.00 0.86 N ATOM 2181 CA ALA A 139 4.644 -7.816 -1.968 1.00 0.69 C ATOM 2182 C ALA A 139 5.589 -6.607 -1.844 1.00 0.81 C ATOM 2183 O ALA A 139 6.751 -6.757 -1.466 1.00 1.37 O ATOM 2184 CB ALA A 139 4.620 -8.679 -0.699 1.00 1.11 C ATOM 0 H ALA A 139 5.673 -9.419 -2.836 1.00 0.86 H new ATOM 0 HA ALA A 139 3.640 -7.421 -2.122 1.00 0.69 H new ATOM 0 HB1 ALA A 139 4.314 -8.068 0.150 1.00 1.11 H new ATOM 0 HB2 ALA A 139 3.914 -9.499 -0.830 1.00 1.11 H new ATOM 0 HB3 ALA A 139 5.615 -9.083 -0.515 1.00 1.11 H new ATOM 2190 N THR A 140 5.132 -5.406 -2.217 1.00 0.66 N ATOM 2191 CA THR A 140 5.925 -4.159 -2.168 1.00 0.61 C ATOM 2192 C THR A 140 5.051 -2.975 -1.773 1.00 0.73 C ATOM 2193 O THR A 140 3.833 -3.011 -1.985 1.00 1.01 O ATOM 2194 CB THR A 140 6.673 -3.962 -3.497 1.00 0.68 C ATOM 2195 OG1 THR A 140 7.690 -4.934 -3.534 1.00 1.19 O ATOM 2196 CG2 THR A 140 7.385 -2.618 -3.680 1.00 0.64 C ATOM 0 H THR A 140 4.185 -5.264 -2.568 1.00 0.66 H new ATOM 0 HA THR A 140 6.685 -4.234 -1.390 1.00 0.61 H new ATOM 0 HB THR A 140 5.913 -4.025 -4.276 1.00 0.68 H new ATOM 0 HG1 THR A 140 7.582 -5.550 -2.779 1.00 1.19 H new ATOM 0 HG21 THR A 140 7.876 -2.596 -4.653 1.00 0.64 H new ATOM 0 HG22 THR A 140 6.656 -1.809 -3.623 1.00 0.64 H new ATOM 0 HG23 THR A 140 8.130 -2.491 -2.895 1.00 0.64 H new ATOM 2204 N THR A 141 5.672 -1.955 -1.171 1.00 0.53 N ATOM 2205 CA THR A 141 5.047 -0.714 -0.710 1.00 0.52 C ATOM 2206 C THR A 141 5.515 0.445 -1.589 1.00 0.86 C ATOM 2207 O THR A 141 6.714 0.611 -1.820 1.00 0.92 O ATOM 2208 CB THR A 141 5.414 -0.450 0.752 1.00 0.64 C ATOM 2209 OG1 THR A 141 5.171 -1.607 1.519 1.00 1.03 O ATOM 2210 CG2 THR A 141 4.605 0.692 1.363 1.00 1.23 C ATOM 0 H THR A 141 6.674 -1.975 -0.983 1.00 0.53 H new ATOM 0 HA THR A 141 3.963 -0.807 -0.783 1.00 0.52 H new ATOM 0 HB THR A 141 6.469 -0.175 0.764 1.00 0.64 H new ATOM 0 HG1 THR A 141 5.409 -1.435 2.454 1.00 1.03 H new ATOM 0 HG21 THR A 141 4.906 0.836 2.401 1.00 1.23 H new ATOM 0 HG22 THR A 141 4.788 1.608 0.802 1.00 1.23 H new ATOM 0 HG23 THR A 141 3.543 0.448 1.323 1.00 1.23 H new ATOM 2218 N PHE A 142 4.574 1.261 -2.068 1.00 0.55 N ATOM 2219 CA PHE A 142 4.819 2.312 -3.059 1.00 0.61 C ATOM 2220 C PHE A 142 4.367 3.671 -2.517 1.00 1.78 C ATOM 2221 O PHE A 142 3.194 3.838 -2.177 1.00 2.14 O ATOM 2222 CB PHE A 142 4.058 1.972 -4.347 1.00 0.64 C ATOM 2223 CG PHE A 142 4.482 0.690 -5.036 1.00 0.77 C ATOM 2224 CD1 PHE A 142 3.978 -0.549 -4.597 1.00 1.71 C ATOM 2225 CD2 PHE A 142 5.349 0.738 -6.142 1.00 1.94 C ATOM 2226 CE1 PHE A 142 4.358 -1.733 -5.246 1.00 1.74 C ATOM 2227 CE2 PHE A 142 5.732 -0.446 -6.789 1.00 1.78 C ATOM 2228 CZ PHE A 142 5.248 -1.684 -6.335 1.00 0.87 C ATOM 0 H PHE A 142 3.599 1.209 -1.772 1.00 0.55 H new ATOM 0 HA PHE A 142 5.887 2.369 -3.271 1.00 0.61 H new ATOM 0 HB2 PHE A 142 2.995 1.904 -4.113 1.00 0.64 H new ATOM 0 HB3 PHE A 142 4.178 2.798 -5.048 1.00 0.64 H new ATOM 0 HD1 PHE A 142 3.298 -0.588 -3.759 1.00 1.71 H new ATOM 0 HD2 PHE A 142 5.721 1.689 -6.494 1.00 1.94 H new ATOM 0 HE1 PHE A 142 3.968 -2.682 -4.910 1.00 1.74 H new ATOM 0 HE2 PHE A 142 6.400 -0.406 -7.637 1.00 1.78 H new ATOM 0 HZ PHE A 142 5.558 -2.597 -6.821 1.00 0.87 H new ATOM 2238 N VAL A 143 5.288 4.637 -2.426 1.00 0.67 N ATOM 2239 CA VAL A 143 5.056 5.888 -1.688 1.00 0.61 C ATOM 2240 C VAL A 143 4.944 7.053 -2.659 1.00 0.88 C ATOM 2241 O VAL A 143 5.858 7.311 -3.447 1.00 1.04 O ATOM 2242 CB VAL A 143 6.163 6.177 -0.653 1.00 0.61 C ATOM 2243 CG1 VAL A 143 5.811 7.400 0.209 1.00 0.65 C ATOM 2244 CG2 VAL A 143 6.363 4.976 0.280 1.00 1.00 C ATOM 0 H VAL A 143 6.210 4.577 -2.858 1.00 0.67 H new ATOM 0 HA VAL A 143 4.121 5.768 -1.141 1.00 0.61 H new ATOM 0 HB VAL A 143 7.078 6.373 -1.212 1.00 0.61 H new ATOM 0 HG11 VAL A 143 6.609 7.579 0.929 1.00 0.65 H new ATOM 0 HG12 VAL A 143 5.696 8.275 -0.431 1.00 0.65 H new ATOM 0 HG13 VAL A 143 4.878 7.214 0.741 1.00 0.65 H new ATOM 0 HG21 VAL A 143 7.148 5.202 1.001 1.00 1.00 H new ATOM 0 HG22 VAL A 143 5.433 4.768 0.809 1.00 1.00 H new ATOM 0 HG23 VAL A 143 6.650 4.103 -0.307 1.00 1.00 H new ATOM 2254 N VAL A 144 3.818 7.758 -2.563 1.00 0.64 N ATOM 2255 CA VAL A 144 3.517 8.952 -3.369 1.00 0.75 C ATOM 2256 C VAL A 144 3.290 10.208 -2.519 1.00 1.12 C ATOM 2257 O VAL A 144 2.790 10.118 -1.397 1.00 1.12 O ATOM 2258 CB VAL A 144 2.319 8.763 -4.342 1.00 1.00 C ATOM 2259 CG1 VAL A 144 2.436 7.492 -5.202 1.00 1.96 C ATOM 2260 CG2 VAL A 144 0.938 8.761 -3.680 1.00 2.16 C ATOM 0 H VAL A 144 3.071 7.515 -1.912 1.00 0.64 H new ATOM 0 HA VAL A 144 4.416 9.095 -3.969 1.00 0.75 H new ATOM 0 HB VAL A 144 2.389 9.651 -4.970 1.00 1.00 H new ATOM 0 HG11 VAL A 144 1.570 7.417 -5.860 1.00 1.96 H new ATOM 0 HG12 VAL A 144 3.345 7.541 -5.802 1.00 1.96 H new ATOM 0 HG13 VAL A 144 2.476 6.617 -4.554 1.00 1.96 H new ATOM 0 HG21 VAL A 144 0.170 8.623 -4.441 1.00 2.16 H new ATOM 0 HG22 VAL A 144 0.882 7.947 -2.957 1.00 2.16 H new ATOM 0 HG23 VAL A 144 0.777 9.711 -3.170 1.00 2.16 H new ATOM 2270 N LYS A 145 3.612 11.369 -3.105 1.00 0.82 N ATOM 2271 CA LYS A 145 3.102 12.700 -2.735 1.00 0.83 C ATOM 2272 C LYS A 145 2.943 13.581 -3.987 1.00 1.13 C ATOM 2273 O LYS A 145 3.766 13.483 -4.895 1.00 1.38 O ATOM 2274 CB LYS A 145 4.016 13.356 -1.685 1.00 0.88 C ATOM 2275 CG LYS A 145 3.281 14.467 -0.914 1.00 1.16 C ATOM 2276 CD LYS A 145 4.228 15.234 0.017 1.00 1.34 C ATOM 2277 CE LYS A 145 3.424 16.093 1.009 1.00 1.78 C ATOM 2278 NZ LYS A 145 4.308 16.931 1.856 1.00 2.02 N ATOM 0 H LYS A 145 4.266 11.410 -3.887 1.00 0.82 H new ATOM 0 HA LYS A 145 2.116 12.588 -2.284 1.00 0.83 H new ATOM 0 HB2 LYS A 145 4.370 12.599 -0.985 1.00 0.88 H new ATOM 0 HB3 LYS A 145 4.895 13.773 -2.176 1.00 0.88 H new ATOM 0 HG2 LYS A 145 2.825 15.160 -1.621 1.00 1.16 H new ATOM 0 HG3 LYS A 145 2.471 14.030 -0.330 1.00 1.16 H new ATOM 0 HD2 LYS A 145 4.860 14.533 0.562 1.00 1.34 H new ATOM 0 HD3 LYS A 145 4.891 15.869 -0.571 1.00 1.34 H new ATOM 0 HE2 LYS A 145 2.734 16.733 0.459 1.00 1.78 H new ATOM 0 HE3 LYS A 145 2.820 15.445 1.644 1.00 1.78 H new ATOM 0 HZ1 LYS A 145 3.851 17.099 2.775 1.00 2.02 H new ATOM 0 HZ2 LYS A 145 5.213 16.441 2.004 1.00 2.02 H new ATOM 0 HZ3 LYS A 145 4.480 17.841 1.383 1.00 2.02 H new ATOM 2292 N GLU A 146 1.892 14.404 -4.069 1.00 1.01 N ATOM 2293 CA GLU A 146 1.517 15.214 -5.246 1.00 1.11 C ATOM 2294 C GLU A 146 1.145 14.319 -6.452 1.00 1.42 C ATOM 2295 O GLU A 146 1.502 14.584 -7.600 1.00 1.92 O ATOM 2296 CB GLU A 146 2.584 16.254 -5.607 1.00 1.24 C ATOM 2297 CG GLU A 146 2.932 17.244 -4.490 1.00 1.41 C ATOM 2298 CD GLU A 146 4.100 18.089 -4.971 1.00 1.75 C ATOM 2299 OE1 GLU A 146 3.912 18.904 -5.902 1.00 2.46 O ATOM 2300 OE2 GLU A 146 5.246 17.773 -4.596 1.00 2.08 O ATOM 0 H GLU A 146 1.249 14.533 -3.288 1.00 1.01 H new ATOM 0 HA GLU A 146 0.625 15.778 -4.972 1.00 1.11 H new ATOM 0 HB2 GLU A 146 3.493 15.731 -5.904 1.00 1.24 H new ATOM 0 HB3 GLU A 146 2.242 16.816 -6.476 1.00 1.24 H new ATOM 0 HG2 GLU A 146 2.074 17.874 -4.256 1.00 1.41 H new ATOM 0 HG3 GLU A 146 3.195 16.712 -3.576 1.00 1.41 H new ATOM 2307 N GLY A 147 0.485 13.187 -6.169 1.00 0.92 N ATOM 2308 CA GLY A 147 0.041 12.219 -7.180 1.00 0.93 C ATOM 2309 C GLY A 147 1.186 11.507 -7.903 1.00 0.90 C ATOM 2310 O GLY A 147 0.956 10.925 -8.963 1.00 1.07 O ATOM 0 H GLY A 147 0.241 12.915 -5.217 1.00 0.92 H new ATOM 0 HA2 GLY A 147 -0.592 11.473 -6.700 1.00 0.93 H new ATOM 0 HA3 GLY A 147 -0.575 12.735 -7.916 1.00 0.93 H new ATOM 2314 N ARG A 148 2.420 11.556 -7.380 1.00 0.74 N ATOM 2315 CA ARG A 148 3.612 10.970 -8.006 1.00 0.70 C ATOM 2316 C ARG A 148 4.468 10.167 -7.033 1.00 1.05 C ATOM 2317 O ARG A 148 4.637 10.515 -5.867 1.00 1.28 O ATOM 2318 CB ARG A 148 4.449 12.040 -8.731 1.00 0.85 C ATOM 2319 CG ARG A 148 4.915 13.169 -7.830 1.00 1.19 C ATOM 2320 CD ARG A 148 5.815 14.146 -8.589 1.00 1.32 C ATOM 2321 NE ARG A 148 5.135 15.438 -8.808 1.00 1.74 N ATOM 2322 CZ ARG A 148 5.157 16.476 -7.981 1.00 2.13 C ATOM 2323 NH1 ARG A 148 5.938 16.518 -6.924 1.00 2.90 N ATOM 2324 NH2 ARG A 148 4.359 17.496 -8.192 1.00 2.63 N ATOM 0 H ARG A 148 2.620 12.014 -6.491 1.00 0.74 H new ATOM 0 HA ARG A 148 3.245 10.261 -8.748 1.00 0.70 H new ATOM 0 HB2 ARG A 148 5.320 11.563 -9.180 1.00 0.85 H new ATOM 0 HB3 ARG A 148 3.859 12.459 -9.546 1.00 0.85 H new ATOM 0 HG2 ARG A 148 4.051 13.701 -7.432 1.00 1.19 H new ATOM 0 HG3 ARG A 148 5.457 12.758 -6.978 1.00 1.19 H new ATOM 0 HD2 ARG A 148 6.736 14.307 -8.028 1.00 1.32 H new ATOM 0 HD3 ARG A 148 6.098 13.714 -9.549 1.00 1.32 H new ATOM 0 HE ARG A 148 4.601 15.542 -9.671 1.00 1.74 H new ATOM 0 HH11 ARG A 148 6.556 15.734 -6.715 1.00 2.90 H new ATOM 0 HH12 ARG A 148 5.925 17.334 -6.313 1.00 2.90 H new ATOM 0 HH21 ARG A 148 3.724 17.490 -8.990 1.00 2.63 H new ATOM 0 HH22 ARG A 148 4.374 18.295 -7.558 1.00 2.63 H new ATOM 2338 N LEU A 149 5.044 9.089 -7.558 1.00 0.57 N ATOM 2339 CA LEU A 149 5.883 8.119 -6.858 1.00 0.56 C ATOM 2340 C LEU A 149 7.253 8.729 -6.559 1.00 0.96 C ATOM 2341 O LEU A 149 7.973 9.083 -7.490 1.00 1.26 O ATOM 2342 CB LEU A 149 5.997 6.860 -7.743 1.00 0.61 C ATOM 2343 CG LEU A 149 6.726 5.686 -7.055 1.00 1.11 C ATOM 2344 CD1 LEU A 149 5.803 4.949 -6.077 1.00 1.48 C ATOM 2345 CD2 LEU A 149 7.237 4.698 -8.112 1.00 2.36 C ATOM 0 H LEU A 149 4.931 8.855 -8.544 1.00 0.57 H new ATOM 0 HA LEU A 149 5.441 7.843 -5.901 1.00 0.56 H new ATOM 0 HB2 LEU A 149 4.997 6.537 -8.031 1.00 0.61 H new ATOM 0 HB3 LEU A 149 6.526 7.118 -8.661 1.00 0.61 H new ATOM 0 HG LEU A 149 7.564 6.098 -6.493 1.00 1.11 H new ATOM 0 HD11 LEU A 149 6.348 4.129 -5.610 1.00 1.48 H new ATOM 0 HD12 LEU A 149 5.461 5.641 -5.308 1.00 1.48 H new ATOM 0 HD13 LEU A 149 4.943 4.553 -6.617 1.00 1.48 H new ATOM 0 HD21 LEU A 149 7.750 3.872 -7.620 1.00 2.36 H new ATOM 0 HD22 LEU A 149 6.395 4.311 -8.686 1.00 2.36 H new ATOM 0 HD23 LEU A 149 7.929 5.208 -8.782 1.00 2.36 H new ATOM 2357 N VAL A 150 7.598 8.824 -5.275 1.00 0.64 N ATOM 2358 CA VAL A 150 8.876 9.395 -4.793 1.00 0.78 C ATOM 2359 C VAL A 150 9.750 8.400 -4.009 1.00 1.01 C ATOM 2360 O VAL A 150 10.936 8.669 -3.803 1.00 1.19 O ATOM 2361 CB VAL A 150 8.628 10.664 -3.939 1.00 0.99 C ATOM 2362 CG1 VAL A 150 8.062 11.805 -4.796 1.00 1.80 C ATOM 2363 CG2 VAL A 150 7.675 10.408 -2.759 1.00 1.13 C ATOM 0 H VAL A 150 6.993 8.503 -4.519 1.00 0.64 H new ATOM 0 HA VAL A 150 9.433 9.656 -5.693 1.00 0.78 H new ATOM 0 HB VAL A 150 9.601 10.948 -3.537 1.00 0.99 H new ATOM 0 HG11 VAL A 150 7.898 12.683 -4.171 1.00 1.80 H new ATOM 0 HG12 VAL A 150 8.770 12.051 -5.588 1.00 1.80 H new ATOM 0 HG13 VAL A 150 7.116 11.493 -5.239 1.00 1.80 H new ATOM 0 HG21 VAL A 150 7.537 11.331 -2.196 1.00 1.13 H new ATOM 0 HG22 VAL A 150 6.711 10.067 -3.137 1.00 1.13 H new ATOM 0 HG23 VAL A 150 8.100 9.645 -2.107 1.00 1.13 H new ATOM 2373 N LEU A 151 9.199 7.248 -3.595 1.00 0.57 N ATOM 2374 CA LEU A 151 9.888 6.275 -2.731 1.00 0.54 C ATOM 2375 C LEU A 151 9.309 4.857 -2.868 1.00 1.04 C ATOM 2376 O LEU A 151 8.099 4.679 -3.052 1.00 1.23 O ATOM 2377 CB LEU A 151 9.855 6.785 -1.263 1.00 0.57 C ATOM 2378 CG LEU A 151 11.245 6.881 -0.603 1.00 0.77 C ATOM 2379 CD1 LEU A 151 11.342 8.072 0.354 1.00 0.92 C ATOM 2380 CD2 LEU A 151 11.602 5.596 0.150 1.00 0.92 C ATOM 0 H LEU A 151 8.254 6.963 -3.853 1.00 0.57 H new ATOM 0 HA LEU A 151 10.926 6.195 -3.053 1.00 0.54 H new ATOM 0 HB2 LEU A 151 9.385 7.768 -1.241 1.00 0.57 H new ATOM 0 HB3 LEU A 151 9.228 6.118 -0.671 1.00 0.57 H new ATOM 0 HG LEU A 151 11.958 7.026 -1.414 1.00 0.77 H new ATOM 0 HD11 LEU A 151 12.337 8.102 0.797 1.00 0.92 H new ATOM 0 HD12 LEU A 151 11.161 8.996 -0.195 1.00 0.92 H new ATOM 0 HD13 LEU A 151 10.597 7.967 1.143 1.00 0.92 H new ATOM 0 HD21 LEU A 151 12.588 5.701 0.602 1.00 0.92 H new ATOM 0 HD22 LEU A 151 10.863 5.414 0.930 1.00 0.92 H new ATOM 0 HD23 LEU A 151 11.609 4.757 -0.546 1.00 0.92 H new ATOM 2392 N LEU A 152 10.179 3.851 -2.730 1.00 0.54 N ATOM 2393 CA LEU A 152 9.816 2.430 -2.675 1.00 0.54 C ATOM 2394 C LEU A 152 10.287 1.783 -1.369 1.00 1.10 C ATOM 2395 O LEU A 152 11.385 2.052 -0.876 1.00 1.16 O ATOM 2396 CB LEU A 152 10.417 1.672 -3.875 1.00 0.60 C ATOM 2397 CG LEU A 152 9.873 2.090 -5.248 1.00 0.69 C ATOM 2398 CD1 LEU A 152 10.657 1.369 -6.354 1.00 0.90 C ATOM 2399 CD2 LEU A 152 8.382 1.761 -5.381 1.00 0.93 C ATOM 0 H LEU A 152 11.184 4.007 -2.651 1.00 0.54 H new ATOM 0 HA LEU A 152 8.729 2.368 -2.717 1.00 0.54 H new ATOM 0 HB2 LEU A 152 11.498 1.815 -3.871 1.00 0.60 H new ATOM 0 HB3 LEU A 152 10.236 0.606 -3.739 1.00 0.60 H new ATOM 0 HG LEU A 152 9.995 3.169 -5.347 1.00 0.69 H new ATOM 0 HD11 LEU A 152 10.269 1.667 -7.328 1.00 0.90 H new ATOM 0 HD12 LEU A 152 11.712 1.636 -6.286 1.00 0.90 H new ATOM 0 HD13 LEU A 152 10.547 0.291 -6.234 1.00 0.90 H new ATOM 0 HD21 LEU A 152 8.028 2.070 -6.365 1.00 0.93 H new ATOM 0 HD22 LEU A 152 8.234 0.688 -5.262 1.00 0.93 H new ATOM 0 HD23 LEU A 152 7.822 2.292 -4.611 1.00 0.93 H new ATOM 2411 N TYR A 153 9.462 0.881 -0.842 1.00 0.59 N ATOM 2412 CA TYR A 153 9.752 0.094 0.349 1.00 0.62 C ATOM 2413 C TYR A 153 9.538 -1.406 0.081 1.00 1.09 C ATOM 2414 O TYR A 153 8.450 -1.857 -0.271 1.00 1.46 O ATOM 2415 CB TYR A 153 8.908 0.595 1.533 1.00 0.64 C ATOM 2416 CG TYR A 153 9.701 1.375 2.560 1.00 0.91 C ATOM 2417 CD1 TYR A 153 10.386 0.679 3.570 1.00 2.39 C ATOM 2418 CD2 TYR A 153 9.758 2.780 2.510 1.00 1.78 C ATOM 2419 CE1 TYR A 153 11.130 1.385 4.535 1.00 2.78 C ATOM 2420 CE2 TYR A 153 10.502 3.493 3.471 1.00 1.73 C ATOM 2421 CZ TYR A 153 11.202 2.793 4.487 1.00 1.65 C ATOM 2422 OH TYR A 153 11.958 3.427 5.424 1.00 2.20 O ATOM 0 H TYR A 153 8.548 0.673 -1.245 1.00 0.59 H new ATOM 0 HA TYR A 153 10.802 0.223 0.612 1.00 0.62 H new ATOM 0 HB2 TYR A 153 8.104 1.225 1.153 1.00 0.64 H new ATOM 0 HB3 TYR A 153 8.440 -0.260 2.021 1.00 0.64 H new ATOM 0 HD1 TYR A 153 10.342 -0.399 3.606 1.00 2.39 H new ATOM 0 HD2 TYR A 153 9.230 3.313 1.733 1.00 1.78 H new ATOM 0 HE1 TYR A 153 11.648 0.846 5.315 1.00 2.78 H new ATOM 0 HE2 TYR A 153 10.539 4.572 3.434 1.00 1.73 H new ATOM 0 HH TYR A 153 12.331 4.249 5.042 1.00 2.20 H new ATOM 2432 N SER A 154 10.599 -2.185 0.290 1.00 0.98 N ATOM 2433 CA SER A 154 10.513 -3.638 0.477 1.00 1.01 C ATOM 2434 C SER A 154 9.938 -3.942 1.876 1.00 1.05 C ATOM 2435 O SER A 154 10.210 -3.156 2.794 1.00 1.21 O ATOM 2436 CB SER A 154 11.925 -4.232 0.359 1.00 1.28 C ATOM 2437 OG SER A 154 11.931 -5.616 0.629 1.00 2.06 O ATOM 0 H SER A 154 11.552 -1.825 0.335 1.00 0.98 H new ATOM 0 HA SER A 154 9.862 -4.076 -0.279 1.00 1.01 H new ATOM 0 HB2 SER A 154 12.312 -4.055 -0.645 1.00 1.28 H new ATOM 0 HB3 SER A 154 12.594 -3.723 1.053 1.00 1.28 H new ATOM 0 HG SER A 154 12.808 -5.877 0.980 1.00 2.06 H new ATOM 2443 N PRO A 155 9.203 -5.056 2.075 1.00 0.82 N ATOM 2444 CA PRO A 155 8.719 -5.456 3.393 1.00 0.93 C ATOM 2445 C PRO A 155 9.858 -5.644 4.403 1.00 1.14 C ATOM 2446 O PRO A 155 9.722 -5.169 5.526 1.00 1.05 O ATOM 2447 CB PRO A 155 7.905 -6.735 3.180 1.00 1.06 C ATOM 2448 CG PRO A 155 8.399 -7.277 1.840 1.00 0.98 C ATOM 2449 CD PRO A 155 8.750 -6.009 1.071 1.00 0.90 C ATOM 0 HA PRO A 155 8.099 -4.674 3.831 1.00 0.93 H new ATOM 0 HB2 PRO A 155 8.071 -7.451 3.985 1.00 1.06 H new ATOM 0 HB3 PRO A 155 6.835 -6.526 3.155 1.00 1.06 H new ATOM 0 HG2 PRO A 155 9.264 -7.929 1.962 1.00 0.98 H new ATOM 0 HG3 PRO A 155 7.631 -7.859 1.331 1.00 0.98 H new ATOM 0 HD2 PRO A 155 9.529 -6.201 0.333 1.00 0.90 H new ATOM 0 HD3 PRO A 155 7.885 -5.627 0.529 1.00 0.90 H new ATOM 2457 N ASP A 156 11.001 -6.222 4.002 1.00 0.88 N ATOM 2458 CA ASP A 156 12.166 -6.432 4.885 1.00 1.00 C ATOM 2459 C ASP A 156 12.848 -5.122 5.352 1.00 1.22 C ATOM 2460 O ASP A 156 13.773 -5.130 6.163 1.00 1.64 O ATOM 2461 CB ASP A 156 13.157 -7.395 4.197 1.00 1.21 C ATOM 2462 CG ASP A 156 14.172 -6.722 3.263 1.00 1.62 C ATOM 2463 OD1 ASP A 156 13.768 -5.904 2.406 1.00 2.16 O ATOM 2464 OD2 ASP A 156 15.389 -6.956 3.449 1.00 2.67 O ATOM 0 H ASP A 156 11.147 -6.560 3.051 1.00 0.88 H new ATOM 0 HA ASP A 156 11.801 -6.884 5.807 1.00 1.00 H new ATOM 0 HB2 ASP A 156 13.701 -7.943 4.966 1.00 1.21 H new ATOM 0 HB3 ASP A 156 12.589 -8.128 3.624 1.00 1.21 H new ATOM 2469 N LYS A 157 12.433 -3.975 4.807 1.00 0.96 N ATOM 2470 CA LYS A 157 12.724 -2.632 5.311 1.00 1.04 C ATOM 2471 C LYS A 157 11.506 -2.007 6.019 1.00 1.29 C ATOM 2472 O LYS A 157 11.689 -1.284 6.997 1.00 1.37 O ATOM 2473 CB LYS A 157 13.187 -1.736 4.141 1.00 1.19 C ATOM 2474 CG LYS A 157 14.372 -2.288 3.332 1.00 1.56 C ATOM 2475 CD LYS A 157 15.694 -2.354 4.115 1.00 2.32 C ATOM 2476 CE LYS A 157 16.443 -3.650 3.787 1.00 2.63 C ATOM 2477 NZ LYS A 157 16.092 -4.739 4.726 1.00 3.52 N ATOM 0 H LYS A 157 11.859 -3.958 3.964 1.00 0.96 H new ATOM 0 HA LYS A 157 13.519 -2.710 6.052 1.00 1.04 H new ATOM 0 HB2 LYS A 157 12.345 -1.582 3.466 1.00 1.19 H new ATOM 0 HB3 LYS A 157 13.461 -0.758 4.538 1.00 1.19 H new ATOM 0 HG2 LYS A 157 14.122 -3.288 2.979 1.00 1.56 H new ATOM 0 HG3 LYS A 157 14.516 -1.665 2.449 1.00 1.56 H new ATOM 0 HD2 LYS A 157 16.315 -1.494 3.866 1.00 2.32 H new ATOM 0 HD3 LYS A 157 15.494 -2.303 5.185 1.00 2.32 H new ATOM 0 HE2 LYS A 157 16.208 -3.958 2.768 1.00 2.63 H new ATOM 0 HE3 LYS A 157 17.517 -3.469 3.825 1.00 2.63 H new ATOM 0 HZ1 LYS A 157 16.171 -5.655 4.240 1.00 3.52 H new ATOM 0 HZ2 LYS A 157 16.742 -4.721 5.538 1.00 3.52 H new ATOM 0 HZ3 LYS A 157 15.116 -4.607 5.061 1.00 3.52 H new ATOM 2491 N ALA A 158 10.282 -2.279 5.555 1.00 0.81 N ATOM 2492 CA ALA A 158 9.043 -1.687 6.074 1.00 0.76 C ATOM 2493 C ALA A 158 8.689 -2.149 7.497 1.00 1.01 C ATOM 2494 O ALA A 158 8.042 -1.396 8.219 1.00 1.01 O ATOM 2495 CB ALA A 158 7.908 -1.988 5.091 1.00 0.78 C ATOM 0 H ALA A 158 10.121 -2.933 4.789 1.00 0.81 H new ATOM 0 HA ALA A 158 9.195 -0.611 6.158 1.00 0.76 H new ATOM 0 HB1 ALA A 158 6.980 -1.554 5.463 1.00 0.78 H new ATOM 0 HB2 ALA A 158 8.145 -1.557 4.118 1.00 0.78 H new ATOM 0 HB3 ALA A 158 7.790 -3.067 4.991 1.00 0.78 H new ATOM 2501 N GLU A 159 9.157 -3.333 7.918 1.00 0.72 N ATOM 2502 CA GLU A 159 9.089 -3.779 9.318 1.00 0.76 C ATOM 2503 C GLU A 159 9.645 -2.715 10.295 1.00 1.13 C ATOM 2504 O GLU A 159 9.139 -2.540 11.407 1.00 1.38 O ATOM 2505 CB GLU A 159 9.904 -5.075 9.478 1.00 1.15 C ATOM 2506 CG GLU A 159 9.267 -6.313 8.830 1.00 1.59 C ATOM 2507 CD GLU A 159 10.168 -7.524 9.072 1.00 2.73 C ATOM 2508 OE1 GLU A 159 10.060 -8.095 10.180 1.00 3.70 O ATOM 2509 OE2 GLU A 159 10.987 -7.821 8.172 1.00 3.68 O ATOM 0 H GLU A 159 9.595 -4.011 7.295 1.00 0.72 H new ATOM 0 HA GLU A 159 8.040 -3.946 9.561 1.00 0.76 H new ATOM 0 HB2 GLU A 159 10.893 -4.923 9.046 1.00 1.15 H new ATOM 0 HB3 GLU A 159 10.047 -5.270 10.541 1.00 1.15 H new ATOM 0 HG2 GLU A 159 8.277 -6.491 9.251 1.00 1.59 H new ATOM 0 HG3 GLU A 159 9.134 -6.151 7.760 1.00 1.59 H new ATOM 2516 N ALA A 160 10.686 -1.980 9.877 1.00 0.79 N ATOM 2517 CA ALA A 160 11.399 -1.003 10.695 1.00 0.83 C ATOM 2518 C ALA A 160 10.587 0.295 10.898 1.00 1.06 C ATOM 2519 O ALA A 160 10.900 1.347 10.332 1.00 1.03 O ATOM 2520 CB ALA A 160 12.802 -0.785 10.108 1.00 0.88 C ATOM 0 H ALA A 160 11.062 -2.055 8.932 1.00 0.79 H new ATOM 0 HA ALA A 160 11.525 -1.393 11.705 1.00 0.83 H new ATOM 0 HB1 ALA A 160 13.341 -0.056 10.714 1.00 0.88 H new ATOM 0 HB2 ALA A 160 13.347 -1.729 10.107 1.00 0.88 H new ATOM 0 HB3 ALA A 160 12.716 -0.415 9.087 1.00 0.88 H new ATOM 2526 N THR A 161 9.563 0.198 11.754 1.00 0.82 N ATOM 2527 CA THR A 161 8.637 1.253 12.222 1.00 0.90 C ATOM 2528 C THR A 161 9.269 2.638 12.257 1.00 1.02 C ATOM 2529 O THR A 161 8.856 3.527 11.520 1.00 1.26 O ATOM 2530 CB THR A 161 8.122 0.844 13.609 1.00 0.95 C ATOM 2531 OG1 THR A 161 7.205 -0.213 13.431 1.00 1.06 O ATOM 2532 CG2 THR A 161 7.396 1.957 14.370 1.00 1.20 C ATOM 0 H THR A 161 9.335 -0.701 12.179 1.00 0.82 H new ATOM 0 HA THR A 161 7.815 1.334 11.511 1.00 0.90 H new ATOM 0 HB THR A 161 8.997 0.573 14.200 1.00 0.95 H new ATOM 0 HG1 THR A 161 6.860 -0.497 14.303 1.00 1.06 H new ATOM 0 HG21 THR A 161 7.067 1.581 15.338 1.00 1.20 H new ATOM 0 HG22 THR A 161 8.074 2.798 14.519 1.00 1.20 H new ATOM 0 HG23 THR A 161 6.530 2.286 13.795 1.00 1.20 H new ATOM 2540 N ASP A 162 10.311 2.826 13.060 1.00 0.96 N ATOM 2541 CA ASP A 162 10.948 4.126 13.313 1.00 1.04 C ATOM 2542 C ASP A 162 11.729 4.657 12.099 1.00 1.31 C ATOM 2543 O ASP A 162 11.946 5.858 11.955 1.00 1.35 O ATOM 2544 CB ASP A 162 11.884 3.980 14.520 1.00 1.09 C ATOM 2545 CG ASP A 162 11.286 3.071 15.601 1.00 1.60 C ATOM 2546 OD1 ASP A 162 10.564 3.593 16.476 1.00 2.47 O ATOM 2547 OD2 ASP A 162 11.518 1.850 15.458 1.00 2.67 O ATOM 0 H ASP A 162 10.753 2.061 13.570 1.00 0.96 H new ATOM 0 HA ASP A 162 10.162 4.854 13.514 1.00 1.04 H new ATOM 0 HB2 ASP A 162 12.840 3.572 14.191 1.00 1.09 H new ATOM 0 HB3 ASP A 162 12.086 4.964 14.944 1.00 1.09 H new ATOM 2552 N ARG A 163 12.154 3.750 11.217 1.00 1.03 N ATOM 2553 CA ARG A 163 12.700 4.085 9.901 1.00 1.03 C ATOM 2554 C ARG A 163 11.599 4.550 8.943 1.00 1.16 C ATOM 2555 O ARG A 163 11.749 5.600 8.328 1.00 1.46 O ATOM 2556 CB ARG A 163 13.477 2.902 9.307 1.00 1.05 C ATOM 2557 CG ARG A 163 14.505 2.257 10.249 1.00 1.32 C ATOM 2558 CD ARG A 163 15.586 3.243 10.689 1.00 1.51 C ATOM 2559 NE ARG A 163 16.571 2.620 11.596 1.00 1.85 N ATOM 2560 CZ ARG A 163 16.401 2.360 12.890 1.00 3.20 C ATOM 2561 NH1 ARG A 163 15.287 2.661 13.525 1.00 4.26 N ATOM 2562 NH2 ARG A 163 17.367 1.780 13.576 1.00 3.96 N ATOM 0 H ARG A 163 12.128 2.747 11.400 1.00 1.03 H new ATOM 0 HA ARG A 163 13.396 4.913 10.036 1.00 1.03 H new ATOM 0 HB2 ARG A 163 12.764 2.139 8.996 1.00 1.05 H new ATOM 0 HB3 ARG A 163 13.993 3.241 8.409 1.00 1.05 H new ATOM 0 HG2 ARG A 163 13.993 1.866 11.128 1.00 1.32 H new ATOM 0 HG3 ARG A 163 14.972 1.409 9.748 1.00 1.32 H new ATOM 0 HD2 ARG A 163 16.099 3.633 9.810 1.00 1.51 H new ATOM 0 HD3 ARG A 163 15.120 4.092 11.189 1.00 1.51 H new ATOM 0 HE ARG A 163 17.471 2.364 11.190 1.00 1.85 H new ATOM 0 HH11 ARG A 163 14.519 3.108 13.024 1.00 4.26 H new ATOM 0 HH12 ARG A 163 15.192 2.447 14.518 1.00 4.26 H new ATOM 0 HH21 ARG A 163 18.242 1.532 13.115 1.00 3.96 H new ATOM 0 HH22 ARG A 163 17.239 1.580 14.568 1.00 3.96 H new ATOM 2576 N VAL A 164 10.475 3.827 8.896 1.00 0.89 N ATOM 2577 CA VAL A 164 9.292 4.219 8.101 1.00 0.86 C ATOM 2578 C VAL A 164 8.768 5.586 8.560 1.00 1.05 C ATOM 2579 O VAL A 164 8.487 6.431 7.713 1.00 1.14 O ATOM 2580 CB VAL A 164 8.182 3.141 8.137 1.00 0.83 C ATOM 2581 CG1 VAL A 164 6.888 3.589 7.436 1.00 0.89 C ATOM 2582 CG2 VAL A 164 8.675 1.852 7.455 1.00 0.99 C ATOM 0 H VAL A 164 10.353 2.952 9.406 1.00 0.89 H new ATOM 0 HA VAL A 164 9.605 4.305 7.060 1.00 0.86 H new ATOM 0 HB VAL A 164 7.958 2.969 9.190 1.00 0.83 H new ATOM 0 HG11 VAL A 164 6.148 2.791 7.494 1.00 0.89 H new ATOM 0 HG12 VAL A 164 6.499 4.482 7.926 1.00 0.89 H new ATOM 0 HG13 VAL A 164 7.099 3.812 6.390 1.00 0.89 H new ATOM 0 HG21 VAL A 164 7.887 1.100 7.486 1.00 0.99 H new ATOM 0 HG22 VAL A 164 8.933 2.065 6.418 1.00 0.99 H new ATOM 0 HG23 VAL A 164 9.555 1.477 7.978 1.00 0.99 H new ATOM 2592 N VAL A 165 8.730 5.843 9.876 1.00 0.91 N ATOM 2593 CA VAL A 165 8.490 7.196 10.412 1.00 0.91 C ATOM 2594 C VAL A 165 9.413 8.235 9.764 1.00 1.12 C ATOM 2595 O VAL A 165 8.924 9.238 9.263 1.00 1.34 O ATOM 2596 CB VAL A 165 8.661 7.256 11.950 1.00 0.91 C ATOM 2597 CG1 VAL A 165 8.622 8.690 12.527 1.00 1.00 C ATOM 2598 CG2 VAL A 165 7.577 6.453 12.674 1.00 1.20 C ATOM 0 H VAL A 165 8.863 5.130 10.593 1.00 0.91 H new ATOM 0 HA VAL A 165 7.455 7.434 10.167 1.00 0.91 H new ATOM 0 HB VAL A 165 9.649 6.829 12.122 1.00 0.91 H new ATOM 0 HG11 VAL A 165 8.748 8.650 13.609 1.00 1.00 H new ATOM 0 HG12 VAL A 165 9.427 9.280 12.089 1.00 1.00 H new ATOM 0 HG13 VAL A 165 7.663 9.152 12.290 1.00 1.00 H new ATOM 0 HG21 VAL A 165 7.732 6.520 13.751 1.00 1.20 H new ATOM 0 HG22 VAL A 165 6.596 6.857 12.423 1.00 1.20 H new ATOM 0 HG23 VAL A 165 7.630 5.409 12.364 1.00 1.20 H new ATOM 2608 N ALA A 166 10.735 8.037 9.779 1.00 0.92 N ATOM 2609 CA ALA A 166 11.696 9.055 9.343 1.00 0.98 C ATOM 2610 C ALA A 166 11.671 9.337 7.829 1.00 1.19 C ATOM 2611 O ALA A 166 11.730 10.502 7.446 1.00 1.33 O ATOM 2612 CB ALA A 166 13.090 8.605 9.789 1.00 1.01 C ATOM 0 H ALA A 166 11.168 7.169 10.093 1.00 0.92 H new ATOM 0 HA ALA A 166 11.415 10.001 9.806 1.00 0.98 H new ATOM 0 HB1 ALA A 166 13.828 9.344 9.478 1.00 1.01 H new ATOM 0 HB2 ALA A 166 13.111 8.506 10.874 1.00 1.01 H new ATOM 0 HB3 ALA A 166 13.325 7.643 9.333 1.00 1.01 H new ATOM 2618 N ASP A 167 11.515 8.307 6.990 1.00 0.92 N ATOM 2619 CA ASP A 167 11.352 8.492 5.544 1.00 0.97 C ATOM 2620 C ASP A 167 10.086 9.315 5.260 1.00 1.33 C ATOM 2621 O ASP A 167 10.151 10.328 4.566 1.00 1.32 O ATOM 2622 CB ASP A 167 11.310 7.137 4.812 1.00 1.08 C ATOM 2623 CG ASP A 167 12.697 6.651 4.381 1.00 1.44 C ATOM 2624 OD1 ASP A 167 13.144 7.018 3.274 1.00 1.90 O ATOM 2625 OD2 ASP A 167 13.290 5.814 5.096 1.00 2.83 O ATOM 0 H ASP A 167 11.498 7.332 7.290 1.00 0.92 H new ATOM 0 HA ASP A 167 12.215 9.040 5.164 1.00 0.97 H new ATOM 0 HB2 ASP A 167 10.855 6.391 5.464 1.00 1.08 H new ATOM 0 HB3 ASP A 167 10.671 7.224 3.933 1.00 1.08 H new ATOM 2630 N LEU A 168 8.952 8.954 5.868 1.00 0.99 N ATOM 2631 CA LEU A 168 7.681 9.678 5.682 1.00 1.09 C ATOM 2632 C LEU A 168 7.690 11.081 6.302 1.00 1.42 C ATOM 2633 O LEU A 168 6.908 11.947 5.909 1.00 1.63 O ATOM 2634 CB LEU A 168 6.526 8.828 6.234 1.00 1.25 C ATOM 2635 CG LEU A 168 6.361 7.459 5.542 1.00 1.41 C ATOM 2636 CD1 LEU A 168 5.250 6.693 6.268 1.00 1.79 C ATOM 2637 CD2 LEU A 168 6.069 7.596 4.042 1.00 1.83 C ATOM 0 H LEU A 168 8.884 8.157 6.501 1.00 0.99 H new ATOM 0 HA LEU A 168 7.541 9.834 4.612 1.00 1.09 H new ATOM 0 HB2 LEU A 168 6.686 8.667 7.300 1.00 1.25 H new ATOM 0 HB3 LEU A 168 5.597 9.388 6.132 1.00 1.25 H new ATOM 0 HG LEU A 168 7.298 6.906 5.606 1.00 1.41 H new ATOM 0 HD11 LEU A 168 5.112 5.719 5.798 1.00 1.79 H new ATOM 0 HD12 LEU A 168 5.526 6.555 7.313 1.00 1.79 H new ATOM 0 HD13 LEU A 168 4.320 7.259 6.210 1.00 1.79 H new ATOM 0 HD21 LEU A 168 5.961 6.605 3.600 1.00 1.83 H new ATOM 0 HD22 LEU A 168 5.146 8.159 3.901 1.00 1.83 H new ATOM 0 HD23 LEU A 168 6.892 8.122 3.558 1.00 1.83 H new ATOM 2649 N GLN A 169 8.594 11.320 7.247 1.00 1.08 N ATOM 2650 CA GLN A 169 8.950 12.654 7.722 1.00 1.12 C ATOM 2651 C GLN A 169 9.829 13.479 6.778 1.00 1.39 C ATOM 2652 O GLN A 169 9.727 14.701 6.813 1.00 1.47 O ATOM 2653 CB GLN A 169 9.560 12.568 9.119 1.00 1.20 C ATOM 2654 CG GLN A 169 8.469 12.332 10.176 1.00 1.47 C ATOM 2655 CD GLN A 169 8.947 12.478 11.616 1.00 1.61 C ATOM 2656 OE1 GLN A 169 8.168 12.614 12.547 1.00 2.47 O ATOM 2657 NE2 GLN A 169 10.238 12.454 11.884 1.00 1.79 N ATOM 0 H GLN A 169 9.111 10.576 7.715 1.00 1.08 H new ATOM 0 HA GLN A 169 8.012 13.208 7.757 1.00 1.12 H new ATOM 0 HB2 GLN A 169 10.288 11.758 9.154 1.00 1.20 H new ATOM 0 HB3 GLN A 169 10.097 13.489 9.344 1.00 1.20 H new ATOM 0 HG2 GLN A 169 7.654 13.035 10.003 1.00 1.47 H new ATOM 0 HG3 GLN A 169 8.060 11.331 10.041 1.00 1.47 H new ATOM 0 HE21 GLN A 169 10.914 12.342 11.128 1.00 1.79 H new ATOM 0 HE22 GLN A 169 10.561 12.548 12.847 1.00 1.79 H new ATOM 2666 N ALA A 170 10.647 12.871 5.910 1.00 1.09 N ATOM 2667 CA ALA A 170 11.297 13.598 4.815 1.00 1.16 C ATOM 2668 C ALA A 170 10.286 14.038 3.735 1.00 1.31 C ATOM 2669 O ALA A 170 10.546 14.992 3.000 1.00 1.57 O ATOM 2670 CB ALA A 170 12.419 12.723 4.240 1.00 1.21 C ATOM 0 H ALA A 170 10.874 11.877 5.946 1.00 1.09 H new ATOM 0 HA ALA A 170 11.731 14.520 5.202 1.00 1.16 H new ATOM 0 HB1 ALA A 170 12.911 13.252 3.424 1.00 1.21 H new ATOM 0 HB2 ALA A 170 13.147 12.504 5.022 1.00 1.21 H new ATOM 0 HB3 ALA A 170 11.997 11.790 3.865 1.00 1.21 H new ATOM 2676 N LEU A 171 9.140 13.352 3.645 1.00 1.12 N ATOM 2677 CA LEU A 171 7.998 13.689 2.804 1.00 1.23 C ATOM 2678 C LEU A 171 7.004 14.691 3.408 1.00 1.62 C ATOM 2679 O LEU A 171 6.170 15.159 2.643 1.00 1.92 O ATOM 2680 CB LEU A 171 7.242 12.387 2.480 1.00 1.41 C ATOM 2681 CG LEU A 171 7.900 11.580 1.361 1.00 1.63 C ATOM 2682 CD1 LEU A 171 9.054 10.667 1.773 1.00 1.69 C ATOM 2683 CD2 LEU A 171 6.823 10.714 0.696 1.00 3.04 C ATOM 0 H LEU A 171 8.982 12.503 4.188 1.00 1.12 H new ATOM 0 HA LEU A 171 8.410 14.181 1.923 1.00 1.23 H new ATOM 0 HB2 LEU A 171 7.185 11.773 3.379 1.00 1.41 H new ATOM 0 HB3 LEU A 171 6.219 12.629 2.193 1.00 1.41 H new ATOM 0 HG LEU A 171 8.342 12.322 0.696 1.00 1.63 H new ATOM 0 HD11 LEU A 171 9.439 10.148 0.895 1.00 1.69 H new ATOM 0 HD12 LEU A 171 9.849 11.264 2.219 1.00 1.69 H new ATOM 0 HD13 LEU A 171 8.698 9.936 2.500 1.00 1.69 H new ATOM 0 HD21 LEU A 171 7.271 10.129 -0.107 1.00 3.04 H new ATOM 0 HD22 LEU A 171 6.388 10.042 1.436 1.00 3.04 H new ATOM 0 HD23 LEU A 171 6.043 11.355 0.286 1.00 3.04 H new ATOM 2695 N LEU A 172 7.037 14.985 4.711 1.00 1.29 N ATOM 2696 CA LEU A 172 5.968 15.642 5.504 1.00 1.47 C ATOM 2697 C LEU A 172 5.071 16.657 4.772 1.00 1.73 C ATOM 2698 O LEU A 172 5.502 17.762 4.398 1.00 2.24 O ATOM 2699 CB LEU A 172 6.599 16.234 6.789 1.00 1.74 C ATOM 2700 CG LEU A 172 6.230 15.450 8.051 1.00 1.78 C ATOM 2701 CD1 LEU A 172 7.093 15.881 9.233 1.00 2.51 C ATOM 2702 CD2 LEU A 172 4.765 15.654 8.416 1.00 2.19 C ATOM 2703 OXT LEU A 172 3.856 16.396 4.609 1.00 2.75 O ATOM 0 H LEU A 172 7.852 14.763 5.283 1.00 1.29 H new ATOM 0 HA LEU A 172 5.252 14.855 5.741 1.00 1.47 H new ATOM 0 HB2 LEU A 172 7.684 16.249 6.681 1.00 1.74 H new ATOM 0 HB3 LEU A 172 6.276 17.269 6.903 1.00 1.74 H new ATOM 0 HG LEU A 172 6.406 14.396 7.835 1.00 1.78 H new ATOM 0 HD11 LEU A 172 6.811 15.309 10.117 1.00 2.51 H new ATOM 0 HD12 LEU A 172 8.143 15.699 9.003 1.00 2.51 H new ATOM 0 HD13 LEU A 172 6.943 16.943 9.425 1.00 2.51 H new ATOM 0 HD21 LEU A 172 4.532 15.085 9.316 1.00 2.19 H new ATOM 0 HD22 LEU A 172 4.579 16.713 8.597 1.00 2.19 H new ATOM 0 HD23 LEU A 172 4.134 15.310 7.596 1.00 2.19 H new