USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=32 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 7 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 157 LYS NZ :NH3+ -112:sc= 1.42 (180deg=-1.91) USER MOD Set 2.1: A 47 CYS SG : rot 70:sc= 0.603 USER MOD Set 2.2: A 137 HIS : no HD1:sc= -0.532 X(o=0.071,f=0.11) USER MOD Set 3.1: A 59 LYS NZ :NH3+ 152:sc= -1.61 (180deg=-1.25!) USER MOD Set 3.2: A 98 HIS : no HD1:sc= -0.816 X(o=-2.4,f=-2.3) USER MOD Set 4.1: A 62 TYR OH : rot 32:sc= 1.02 USER MOD Set 4.2: A 70 GLN : amide:sc= 0.853 K(o=3.5,f=1.9) USER MOD Set 4.3: A 100 SER OG : rot 177:sc= 1.65 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= 1.19 (180deg=0.0682) USER MOD Single : A 25 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.28) USER MOD Single : A 31 SER OG : rot -126:sc= 0.706 USER MOD Single : A 32 GLN : amide:sc= -0.0163 X(o=-0.016,f=-0.016) USER MOD Single : A 34 GLN : amide:sc= 0.912 K(o=0.91,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 173:sc= 0.932 (180deg=0.55) USER MOD Single : A 45 THR OG1 : rot -102:sc= 1.22 USER MOD Single : A 51 CYS SG : rot 47:sc= 0.0615 USER MOD Single : A 53 THR OG1 : rot 150:sc= 1.19 USER MOD Single : A 54 THR OG1 : rot 53:sc= 1.32 USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 1.09 (180deg=1.03) USER MOD Single : A 68 LYS NZ :NH3+ -160:sc= 1.25 (180deg=0.866) USER MOD Single : A 74 GLN : amide:sc= 0.278 X(o=0.28,f=0.13) USER MOD Single : A 79 SER OG : rot -73:sc= 1.24 USER MOD Single : A 93 TYR OH : rot 165:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 177:sc= 1.04 (180deg=1) USER MOD Single : A 105 SER OG : rot 157:sc= 1.24 USER MOD Single : A 107 SER OG : rot 58:sc= 1.59 USER MOD Single : A 116 GLN : amide:sc= 0.742 K(o=0.74,f=-8.3!) USER MOD Single : A 117 THR OG1 : rot 113:sc= 1.29 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.341 K(o=-0.34,f=-2.7!) USER MOD Single : A 124 LYS NZ :NH3+ 162:sc= 1.8 (180deg=1.04) USER MOD Single : A 138 THR OG1 : rot -94:sc= 1.49 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -106:sc= 2.18 (180deg=0.985) USER MOD Single : A 153 TYR OH : rot 21:sc= 1.27 USER MOD Single : A 154 SER OG : rot 180:sc= 0.0279 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN :FLIP amide:sc= -0.0642 F(o=-1.1,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.367 5.411 4.771 1.00 1.53 N ATOM 90 CA TYR A 7 15.666 3.977 4.845 1.00 1.52 C ATOM 91 C TYR A 7 14.967 3.161 3.735 1.00 1.48 C ATOM 92 O TYR A 7 15.161 1.951 3.668 1.00 1.71 O ATOM 93 CB TYR A 7 15.306 3.487 6.257 1.00 1.95 C ATOM 94 CG TYR A 7 15.698 2.058 6.615 1.00 1.65 C ATOM 95 CD1 TYR A 7 17.039 1.630 6.509 1.00 2.44 C ATOM 96 CD2 TYR A 7 14.723 1.160 7.097 1.00 2.42 C ATOM 97 CE1 TYR A 7 17.395 0.309 6.854 1.00 2.89 C ATOM 98 CE2 TYR A 7 15.077 -0.154 7.464 1.00 2.62 C ATOM 99 CZ TYR A 7 16.413 -0.587 7.330 1.00 2.46 C ATOM 100 OH TYR A 7 16.745 -1.874 7.628 1.00 3.18 O ATOM 0 HA TYR A 7 16.730 3.821 4.666 1.00 1.52 H new ATOM 0 HB2 TYR A 7 15.774 4.157 6.978 1.00 1.95 H new ATOM 0 HB3 TYR A 7 14.228 3.585 6.385 1.00 1.95 H new ATOM 0 HD1 TYR A 7 17.796 2.317 6.162 1.00 2.44 H new ATOM 0 HD2 TYR A 7 13.696 1.482 7.186 1.00 2.42 H new ATOM 0 HE1 TYR A 7 18.420 -0.017 6.754 1.00 2.89 H new ATOM 0 HE2 TYR A 7 14.326 -0.829 7.848 1.00 2.62 H new ATOM 0 HH TYR A 7 15.950 -2.352 7.943 1.00 3.18 H new ATOM 110 N GLY A 8 14.176 3.783 2.853 1.00 1.01 N ATOM 111 CA GLY A 8 13.623 3.165 1.640 1.00 0.85 C ATOM 112 C GLY A 8 14.514 3.333 0.409 1.00 0.95 C ATOM 113 O GLY A 8 15.641 3.828 0.490 1.00 1.29 O ATOM 0 H GLY A 8 13.895 4.757 2.966 1.00 1.01 H new ATOM 0 HA2 GLY A 8 13.466 2.102 1.823 1.00 0.85 H new ATOM 0 HA3 GLY A 8 12.645 3.601 1.433 1.00 0.85 H new ATOM 117 N THR A 9 14.007 2.933 -0.762 1.00 0.80 N ATOM 118 CA THR A 9 14.695 3.119 -2.053 1.00 0.88 C ATOM 119 C THR A 9 14.305 4.479 -2.601 1.00 1.07 C ATOM 120 O THR A 9 13.316 4.625 -3.325 1.00 1.01 O ATOM 121 CB THR A 9 14.357 2.021 -3.054 1.00 0.98 C ATOM 122 OG1 THR A 9 14.551 0.768 -2.450 1.00 1.18 O ATOM 123 CG2 THR A 9 15.245 2.071 -4.299 1.00 1.10 C ATOM 0 H THR A 9 13.103 2.468 -0.846 1.00 0.80 H new ATOM 0 HA THR A 9 15.771 3.062 -1.891 1.00 0.88 H new ATOM 0 HB THR A 9 13.321 2.174 -3.355 1.00 0.98 H new ATOM 0 HG1 THR A 9 14.333 0.059 -3.090 1.00 1.18 H new ATOM 0 HG21 THR A 9 14.963 1.268 -4.980 1.00 1.10 H new ATOM 0 HG22 THR A 9 15.118 3.031 -4.798 1.00 1.10 H new ATOM 0 HG23 THR A 9 16.288 1.949 -4.007 1.00 1.10 H new ATOM 131 N ARG A 10 15.058 5.492 -2.188 1.00 0.93 N ATOM 132 CA ARG A 10 14.759 6.892 -2.497 1.00 0.96 C ATOM 133 C ARG A 10 15.071 7.211 -3.952 1.00 1.36 C ATOM 134 O ARG A 10 16.183 7.012 -4.429 1.00 1.63 O ATOM 135 CB ARG A 10 15.470 7.834 -1.524 1.00 1.06 C ATOM 136 CG ARG A 10 14.779 9.194 -1.342 1.00 1.43 C ATOM 137 CD ARG A 10 14.800 10.186 -2.513 1.00 1.97 C ATOM 138 NE ARG A 10 14.578 11.555 -2.009 1.00 2.14 N ATOM 139 CZ ARG A 10 14.203 12.630 -2.694 1.00 2.82 C ATOM 140 NH1 ARG A 10 14.004 12.606 -3.995 1.00 3.73 N ATOM 141 NH2 ARG A 10 13.999 13.764 -2.058 1.00 3.37 N ATOM 0 H ARG A 10 15.900 5.368 -1.625 1.00 0.93 H new ATOM 0 HA ARG A 10 13.689 7.052 -2.364 1.00 0.96 H new ATOM 0 HB2 ARG A 10 15.545 7.345 -0.553 1.00 1.06 H new ATOM 0 HB3 ARG A 10 16.488 8.001 -1.877 1.00 1.06 H new ATOM 0 HG2 ARG A 10 13.737 9.005 -1.086 1.00 1.43 H new ATOM 0 HG3 ARG A 10 15.235 9.685 -0.482 1.00 1.43 H new ATOM 0 HD2 ARG A 10 15.757 10.130 -3.033 1.00 1.97 H new ATOM 0 HD3 ARG A 10 14.028 9.925 -3.237 1.00 1.97 H new ATOM 0 HE ARG A 10 14.732 11.693 -1.010 1.00 2.14 H new ATOM 0 HH11 ARG A 10 14.137 11.739 -4.515 1.00 3.73 H new ATOM 0 HH12 ARG A 10 13.716 13.454 -4.483 1.00 3.73 H new ATOM 0 HH21 ARG A 10 14.129 13.813 -1.047 1.00 3.37 H new ATOM 0 HH22 ARG A 10 13.711 14.594 -2.576 1.00 3.37 H new ATOM 155 N LEU A 11 14.069 7.743 -4.646 1.00 1.01 N ATOM 156 CA LEU A 11 14.101 7.969 -6.098 1.00 1.10 C ATOM 157 C LEU A 11 14.442 9.429 -6.424 1.00 1.47 C ATOM 158 O LEU A 11 14.079 10.341 -5.681 1.00 1.95 O ATOM 159 CB LEU A 11 12.762 7.542 -6.739 1.00 1.13 C ATOM 160 CG LEU A 11 12.273 6.122 -6.373 1.00 1.32 C ATOM 161 CD1 LEU A 11 10.941 5.833 -7.078 1.00 1.42 C ATOM 162 CD2 LEU A 11 13.289 5.028 -6.734 1.00 1.59 C ATOM 0 H LEU A 11 13.194 8.036 -4.212 1.00 1.01 H new ATOM 0 HA LEU A 11 14.891 7.351 -6.525 1.00 1.10 H new ATOM 0 HB2 LEU A 11 11.994 8.258 -6.447 1.00 1.13 H new ATOM 0 HB3 LEU A 11 12.861 7.605 -7.823 1.00 1.13 H new ATOM 0 HG LEU A 11 12.145 6.101 -5.291 1.00 1.32 H new ATOM 0 HD11 LEU A 11 10.601 4.831 -6.817 1.00 1.42 H new ATOM 0 HD12 LEU A 11 10.196 6.563 -6.762 1.00 1.42 H new ATOM 0 HD13 LEU A 11 11.079 5.899 -8.157 1.00 1.42 H new ATOM 0 HD21 LEU A 11 12.889 4.053 -6.453 1.00 1.59 H new ATOM 0 HD22 LEU A 11 13.478 5.047 -7.807 1.00 1.59 H new ATOM 0 HD23 LEU A 11 14.221 5.206 -6.198 1.00 1.59 H new ATOM 174 N LEU A 12 15.139 9.657 -7.543 1.00 1.15 N ATOM 175 CA LEU A 12 15.494 11.002 -8.026 1.00 1.26 C ATOM 176 C LEU A 12 14.554 11.492 -9.136 1.00 1.59 C ATOM 177 O LEU A 12 14.162 12.655 -9.141 1.00 2.00 O ATOM 178 CB LEU A 12 16.956 11.006 -8.492 1.00 1.53 C ATOM 179 CG LEU A 12 17.982 10.644 -7.394 1.00 1.96 C ATOM 180 CD1 LEU A 12 19.379 10.914 -7.951 1.00 2.71 C ATOM 181 CD2 LEU A 12 17.804 11.438 -6.087 1.00 3.15 C ATOM 0 H LEU A 12 15.477 8.908 -8.147 1.00 1.15 H new ATOM 0 HA LEU A 12 15.377 11.702 -7.199 1.00 1.26 H new ATOM 0 HB2 LEU A 12 17.063 10.302 -9.317 1.00 1.53 H new ATOM 0 HB3 LEU A 12 17.196 11.994 -8.884 1.00 1.53 H new ATOM 0 HG LEU A 12 17.829 9.595 -7.138 1.00 1.96 H new ATOM 0 HD11 LEU A 12 20.126 10.667 -7.196 1.00 2.71 H new ATOM 0 HD12 LEU A 12 19.542 10.301 -8.837 1.00 2.71 H new ATOM 0 HD13 LEU A 12 19.467 11.967 -8.218 1.00 2.71 H new ATOM 0 HD21 LEU A 12 18.561 11.127 -5.367 1.00 3.15 H new ATOM 0 HD22 LEU A 12 17.913 12.503 -6.291 1.00 3.15 H new ATOM 0 HD23 LEU A 12 16.812 11.246 -5.677 1.00 3.15 H new ATOM 193 N ASN A 13 14.158 10.589 -10.034 1.00 1.44 N ATOM 194 CA ASN A 13 13.303 10.855 -11.189 1.00 1.76 C ATOM 195 C ASN A 13 11.924 10.179 -10.975 1.00 1.81 C ATOM 196 O ASN A 13 11.735 9.041 -11.410 1.00 1.94 O ATOM 197 CB ASN A 13 14.016 10.334 -12.456 1.00 2.18 C ATOM 198 CG ASN A 13 15.381 10.982 -12.694 1.00 3.36 C ATOM 199 OD1 ASN A 13 16.358 10.679 -12.025 1.00 4.90 O ATOM 200 ND2 ASN A 13 15.494 11.881 -13.656 1.00 3.67 N ATOM 0 H ASN A 13 14.437 9.610 -9.972 1.00 1.44 H new ATOM 0 HA ASN A 13 13.127 11.924 -11.310 1.00 1.76 H new ATOM 0 HB2 ASN A 13 14.144 9.255 -12.374 1.00 2.18 H new ATOM 0 HB3 ASN A 13 13.380 10.515 -13.322 1.00 2.18 H new ATOM 0 HD21 ASN A 13 16.396 12.321 -13.839 1.00 3.67 H new ATOM 0 HD22 ASN A 13 14.680 12.135 -14.215 1.00 3.67 H new ATOM 207 N PRO A 14 10.975 10.821 -10.260 1.00 1.66 N ATOM 208 CA PRO A 14 9.744 10.181 -9.807 1.00 1.75 C ATOM 209 C PRO A 14 8.696 10.051 -10.911 1.00 1.91 C ATOM 210 O PRO A 14 8.370 11.006 -11.614 1.00 1.95 O ATOM 211 CB PRO A 14 9.242 11.055 -8.657 1.00 1.75 C ATOM 212 CG PRO A 14 9.740 12.448 -9.031 1.00 1.73 C ATOM 213 CD PRO A 14 11.102 12.134 -9.640 1.00 1.68 C ATOM 0 HA PRO A 14 9.934 9.154 -9.495 1.00 1.75 H new ATOM 0 HB2 PRO A 14 8.156 11.025 -8.574 1.00 1.75 H new ATOM 0 HB3 PRO A 14 9.644 10.728 -7.698 1.00 1.75 H new ATOM 0 HG2 PRO A 14 9.078 12.943 -9.742 1.00 1.73 H new ATOM 0 HG3 PRO A 14 9.820 13.101 -8.162 1.00 1.73 H new ATOM 0 HD2 PRO A 14 11.383 12.887 -10.376 1.00 1.68 H new ATOM 0 HD3 PRO A 14 11.879 12.130 -8.876 1.00 1.68 H new ATOM 221 N LYS A 15 8.126 8.851 -11.030 1.00 1.61 N ATOM 222 CA LYS A 15 7.110 8.558 -12.040 1.00 1.62 C ATOM 223 C LYS A 15 5.720 9.019 -11.560 1.00 1.50 C ATOM 224 O LYS A 15 5.272 8.563 -10.506 1.00 1.47 O ATOM 225 CB LYS A 15 7.124 7.058 -12.353 1.00 1.68 C ATOM 226 CG LYS A 15 6.306 6.718 -13.615 1.00 1.86 C ATOM 227 CD LYS A 15 6.172 5.205 -13.868 1.00 2.36 C ATOM 228 CE LYS A 15 4.990 4.545 -13.135 1.00 2.53 C ATOM 229 NZ LYS A 15 3.677 4.879 -13.747 1.00 3.24 N ATOM 0 H LYS A 15 8.355 8.058 -10.431 1.00 1.61 H new ATOM 0 HA LYS A 15 7.337 9.107 -12.954 1.00 1.62 H new ATOM 0 HB2 LYS A 15 8.153 6.727 -12.489 1.00 1.68 H new ATOM 0 HB3 LYS A 15 6.722 6.507 -11.502 1.00 1.68 H new ATOM 0 HG2 LYS A 15 5.311 7.153 -13.522 1.00 1.86 H new ATOM 0 HG3 LYS A 15 6.777 7.183 -14.481 1.00 1.86 H new ATOM 0 HD2 LYS A 15 6.061 5.035 -14.939 1.00 2.36 H new ATOM 0 HD3 LYS A 15 7.095 4.714 -13.561 1.00 2.36 H new ATOM 0 HE2 LYS A 15 5.124 3.463 -13.139 1.00 2.53 H new ATOM 0 HE3 LYS A 15 4.991 4.862 -12.092 1.00 2.53 H new ATOM 0 HZ1 LYS A 15 2.982 4.147 -13.498 1.00 3.24 H new ATOM 0 HZ2 LYS A 15 3.352 5.801 -13.391 1.00 3.24 H new ATOM 0 HZ3 LYS A 15 3.777 4.923 -14.781 1.00 3.24 H new ATOM 243 N PRO A 16 5.015 9.877 -12.314 1.00 1.36 N ATOM 244 CA PRO A 16 3.677 10.313 -11.950 1.00 1.25 C ATOM 245 C PRO A 16 2.718 9.120 -12.105 1.00 1.26 C ATOM 246 O PRO A 16 2.970 8.218 -12.909 1.00 1.21 O ATOM 247 CB PRO A 16 3.362 11.480 -12.884 1.00 1.37 C ATOM 248 CG PRO A 16 4.194 11.184 -14.137 1.00 1.42 C ATOM 249 CD PRO A 16 5.385 10.370 -13.628 1.00 1.55 C ATOM 0 HA PRO A 16 3.579 10.647 -10.917 1.00 1.25 H new ATOM 0 HB2 PRO A 16 2.298 11.532 -13.114 1.00 1.37 H new ATOM 0 HB3 PRO A 16 3.638 12.435 -12.437 1.00 1.37 H new ATOM 0 HG2 PRO A 16 3.617 10.624 -14.873 1.00 1.42 H new ATOM 0 HG3 PRO A 16 4.521 12.104 -14.622 1.00 1.42 H new ATOM 0 HD2 PRO A 16 5.608 9.544 -14.304 1.00 1.55 H new ATOM 0 HD3 PRO A 16 6.282 10.987 -13.573 1.00 1.55 H new ATOM 257 N VAL A 17 1.643 9.107 -11.317 1.00 0.82 N ATOM 258 CA VAL A 17 0.683 7.995 -11.207 1.00 0.68 C ATOM 259 C VAL A 17 -0.669 8.504 -10.695 1.00 1.09 C ATOM 260 O VAL A 17 -0.749 9.518 -10.001 1.00 1.24 O ATOM 261 CB VAL A 17 1.166 6.849 -10.272 1.00 0.72 C ATOM 262 CG1 VAL A 17 2.181 5.908 -10.945 1.00 1.04 C ATOM 263 CG2 VAL A 17 1.759 7.353 -8.944 1.00 0.88 C ATOM 0 H VAL A 17 1.403 9.895 -10.715 1.00 0.82 H new ATOM 0 HA VAL A 17 0.590 7.585 -12.213 1.00 0.68 H new ATOM 0 HB VAL A 17 0.257 6.289 -10.055 1.00 0.72 H new ATOM 0 HG11 VAL A 17 2.479 5.131 -10.241 1.00 1.04 H new ATOM 0 HG12 VAL A 17 1.725 5.448 -11.822 1.00 1.04 H new ATOM 0 HG13 VAL A 17 3.059 6.478 -11.249 1.00 1.04 H new ATOM 0 HG21 VAL A 17 2.075 6.502 -8.341 1.00 0.88 H new ATOM 0 HG22 VAL A 17 2.618 7.992 -9.148 1.00 0.88 H new ATOM 0 HG23 VAL A 17 1.004 7.922 -8.401 1.00 0.88 H new ATOM 273 N ASP A 18 -1.713 7.737 -10.992 1.00 0.61 N ATOM 274 CA ASP A 18 -3.005 7.735 -10.304 1.00 0.67 C ATOM 275 C ASP A 18 -3.449 6.260 -10.194 1.00 1.02 C ATOM 276 O ASP A 18 -2.720 5.356 -10.602 1.00 1.63 O ATOM 277 CB ASP A 18 -4.021 8.623 -11.068 1.00 0.74 C ATOM 278 CG ASP A 18 -5.315 8.966 -10.301 1.00 1.20 C ATOM 279 OD1 ASP A 18 -5.447 8.634 -9.103 1.00 2.37 O ATOM 280 OD2 ASP A 18 -6.213 9.625 -10.875 1.00 1.81 O ATOM 0 H ASP A 18 -1.682 7.064 -11.758 1.00 0.61 H new ATOM 0 HA ASP A 18 -2.938 8.163 -9.304 1.00 0.67 H new ATOM 0 HB2 ASP A 18 -3.526 9.554 -11.345 1.00 0.74 H new ATOM 0 HB3 ASP A 18 -4.292 8.118 -11.995 1.00 0.74 H new ATOM 285 N PHE A 19 -4.652 6.008 -9.689 1.00 0.83 N ATOM 286 CA PHE A 19 -5.393 4.771 -9.918 1.00 0.88 C ATOM 287 C PHE A 19 -6.888 5.052 -9.790 1.00 1.51 C ATOM 288 O PHE A 19 -7.291 6.016 -9.140 1.00 1.72 O ATOM 289 CB PHE A 19 -4.934 3.630 -8.980 1.00 1.02 C ATOM 290 CG PHE A 19 -5.159 3.806 -7.483 1.00 1.22 C ATOM 291 CD1 PHE A 19 -6.461 3.785 -6.942 1.00 2.04 C ATOM 292 CD2 PHE A 19 -4.061 3.935 -6.610 1.00 2.00 C ATOM 293 CE1 PHE A 19 -6.665 3.941 -5.558 1.00 2.13 C ATOM 294 CE2 PHE A 19 -4.264 4.080 -5.226 1.00 1.93 C ATOM 295 CZ PHE A 19 -5.565 4.094 -4.700 1.00 1.51 C ATOM 0 H PHE A 19 -5.150 6.672 -9.096 1.00 0.83 H new ATOM 0 HA PHE A 19 -5.184 4.421 -10.929 1.00 0.88 H new ATOM 0 HB2 PHE A 19 -5.442 2.717 -9.290 1.00 1.02 H new ATOM 0 HB3 PHE A 19 -3.868 3.472 -9.142 1.00 1.02 H new ATOM 0 HD1 PHE A 19 -7.310 3.648 -7.596 1.00 2.04 H new ATOM 0 HD2 PHE A 19 -3.056 3.922 -7.006 1.00 2.00 H new ATOM 0 HE1 PHE A 19 -7.668 3.943 -5.157 1.00 2.13 H new ATOM 0 HE2 PHE A 19 -3.416 4.181 -4.565 1.00 1.93 H new ATOM 0 HZ PHE A 19 -5.719 4.222 -3.639 1.00 1.51 H new ATOM 305 N ALA A 20 -7.718 4.160 -10.325 1.00 0.86 N ATOM 306 CA ALA A 20 -9.124 4.039 -9.947 1.00 0.88 C ATOM 307 C ALA A 20 -9.378 2.608 -9.457 1.00 1.00 C ATOM 308 O ALA A 20 -9.237 1.664 -10.225 1.00 1.00 O ATOM 309 CB ALA A 20 -9.988 4.414 -11.157 1.00 1.05 C ATOM 0 H ALA A 20 -7.430 3.493 -11.041 1.00 0.86 H new ATOM 0 HA ALA A 20 -9.385 4.716 -9.133 1.00 0.88 H new ATOM 0 HB1 ALA A 20 -11.042 4.329 -10.892 1.00 1.05 H new ATOM 0 HB2 ALA A 20 -9.771 5.440 -11.456 1.00 1.05 H new ATOM 0 HB3 ALA A 20 -9.767 3.740 -11.985 1.00 1.05 H new ATOM 315 N LEU A 21 -9.738 2.456 -8.182 1.00 0.82 N ATOM 316 CA LEU A 21 -10.051 1.178 -7.545 1.00 0.75 C ATOM 317 C LEU A 21 -11.448 1.216 -6.919 1.00 1.02 C ATOM 318 O LEU A 21 -12.048 2.279 -6.748 1.00 1.19 O ATOM 319 CB LEU A 21 -9.000 0.865 -6.455 1.00 0.73 C ATOM 320 CG LEU A 21 -8.225 -0.456 -6.609 1.00 0.77 C ATOM 321 CD1 LEU A 21 -9.127 -1.699 -6.636 1.00 1.12 C ATOM 322 CD2 LEU A 21 -7.333 -0.422 -7.849 1.00 1.16 C ATOM 0 H LEU A 21 -9.822 3.247 -7.543 1.00 0.82 H new ATOM 0 HA LEU A 21 -10.030 0.397 -8.305 1.00 0.75 H new ATOM 0 HB2 LEU A 21 -8.280 1.683 -6.431 1.00 0.73 H new ATOM 0 HB3 LEU A 21 -9.503 0.855 -5.488 1.00 0.73 H new ATOM 0 HG LEU A 21 -7.605 -0.543 -5.717 1.00 0.77 H new ATOM 0 HD11 LEU A 21 -8.512 -2.592 -6.747 1.00 1.12 H new ATOM 0 HD12 LEU A 21 -9.691 -1.760 -5.705 1.00 1.12 H new ATOM 0 HD13 LEU A 21 -9.819 -1.628 -7.475 1.00 1.12 H new ATOM 0 HD21 LEU A 21 -6.796 -1.366 -7.937 1.00 1.16 H new ATOM 0 HD22 LEU A 21 -7.948 -0.271 -8.736 1.00 1.16 H new ATOM 0 HD23 LEU A 21 -6.618 0.396 -7.760 1.00 1.16 H new ATOM 334 N GLU A 22 -11.922 0.041 -6.534 1.00 0.67 N ATOM 335 CA GLU A 22 -13.196 -0.199 -5.882 1.00 0.57 C ATOM 336 C GLU A 22 -12.942 -0.505 -4.399 1.00 0.97 C ATOM 337 O GLU A 22 -11.991 -1.210 -4.052 1.00 1.16 O ATOM 338 CB GLU A 22 -13.849 -1.362 -6.638 1.00 0.61 C ATOM 339 CG GLU A 22 -15.321 -1.622 -6.293 1.00 1.37 C ATOM 340 CD GLU A 22 -16.029 -2.528 -7.316 1.00 2.15 C ATOM 341 OE1 GLU A 22 -15.400 -2.927 -8.331 1.00 2.52 O ATOM 342 OE2 GLU A 22 -17.227 -2.798 -7.091 1.00 3.50 O ATOM 0 H GLU A 22 -11.395 -0.820 -6.678 1.00 0.67 H new ATOM 0 HA GLU A 22 -13.866 0.661 -5.907 1.00 0.57 H new ATOM 0 HB2 GLU A 22 -13.772 -1.167 -7.708 1.00 0.61 H new ATOM 0 HB3 GLU A 22 -13.280 -2.270 -6.437 1.00 0.61 H new ATOM 0 HG2 GLU A 22 -15.381 -2.082 -5.306 1.00 1.37 H new ATOM 0 HG3 GLU A 22 -15.848 -0.670 -6.234 1.00 1.37 H new ATOM 349 N GLY A 23 -13.758 0.065 -3.514 1.00 0.64 N ATOM 350 CA GLY A 23 -13.795 -0.225 -2.079 1.00 0.59 C ATOM 351 C GLY A 23 -15.203 -0.647 -1.644 1.00 0.67 C ATOM 352 O GLY A 23 -16.142 -0.540 -2.436 1.00 0.79 O ATOM 0 H GLY A 23 -14.441 0.772 -3.788 1.00 0.64 H new ATOM 0 HA2 GLY A 23 -13.085 -1.018 -1.845 1.00 0.59 H new ATOM 0 HA3 GLY A 23 -13.485 0.656 -1.517 1.00 0.59 H new ATOM 356 N PRO A 24 -15.393 -1.074 -0.381 1.00 0.56 N ATOM 357 CA PRO A 24 -16.631 -1.711 0.080 1.00 0.77 C ATOM 358 C PRO A 24 -17.859 -0.778 0.178 1.00 1.07 C ATOM 359 O PRO A 24 -18.934 -1.235 0.559 1.00 1.34 O ATOM 360 CB PRO A 24 -16.264 -2.371 1.416 1.00 0.90 C ATOM 361 CG PRO A 24 -15.095 -1.538 1.941 1.00 0.88 C ATOM 362 CD PRO A 24 -14.377 -1.101 0.666 1.00 0.60 C ATOM 0 HA PRO A 24 -16.975 -2.435 -0.658 1.00 0.77 H new ATOM 0 HB2 PRO A 24 -17.105 -2.358 2.110 1.00 0.90 H new ATOM 0 HB3 PRO A 24 -15.979 -3.414 1.279 1.00 0.90 H new ATOM 0 HG2 PRO A 24 -15.439 -0.683 2.522 1.00 0.88 H new ATOM 0 HG3 PRO A 24 -14.443 -2.123 2.590 1.00 0.88 H new ATOM 0 HD2 PRO A 24 -13.921 -0.119 0.792 1.00 0.60 H new ATOM 0 HD3 PRO A 24 -13.575 -1.794 0.413 1.00 0.60 H new ATOM 370 N GLN A 25 -17.734 0.508 -0.171 1.00 0.89 N ATOM 371 CA GLN A 25 -18.851 1.455 -0.261 1.00 1.09 C ATOM 372 C GLN A 25 -18.848 2.265 -1.576 1.00 1.19 C ATOM 373 O GLN A 25 -19.653 3.181 -1.711 1.00 1.53 O ATOM 374 CB GLN A 25 -18.847 2.384 0.975 1.00 1.40 C ATOM 375 CG GLN A 25 -19.222 1.692 2.300 1.00 2.84 C ATOM 376 CD GLN A 25 -18.073 0.950 2.991 1.00 3.91 C ATOM 377 OE1 GLN A 25 -16.968 1.450 3.134 1.00 4.20 O ATOM 378 NE2 GLN A 25 -18.302 -0.253 3.476 1.00 5.28 N ATOM 0 H GLN A 25 -16.834 0.928 -0.404 1.00 0.89 H new ATOM 0 HA GLN A 25 -19.775 0.876 -0.272 1.00 1.09 H new ATOM 0 HB2 GLN A 25 -17.855 2.825 1.079 1.00 1.40 H new ATOM 0 HB3 GLN A 25 -19.543 3.204 0.799 1.00 1.40 H new ATOM 0 HG2 GLN A 25 -19.614 2.443 2.986 1.00 2.84 H new ATOM 0 HG3 GLN A 25 -20.028 0.984 2.107 1.00 2.84 H new ATOM 0 HE21 GLN A 25 -19.221 -0.682 3.363 1.00 5.28 H new ATOM 0 HE22 GLN A 25 -17.561 -0.756 3.964 1.00 5.28 H new ATOM 387 N GLY A 26 -17.975 1.958 -2.551 1.00 0.88 N ATOM 388 CA GLY A 26 -17.839 2.712 -3.800 1.00 0.93 C ATOM 389 C GLY A 26 -16.383 2.897 -4.257 1.00 1.04 C ATOM 390 O GLY A 26 -15.463 2.390 -3.613 1.00 1.14 O ATOM 0 H GLY A 26 -17.336 1.166 -2.488 1.00 0.88 H new ATOM 0 HA2 GLY A 26 -18.394 2.199 -4.585 1.00 0.93 H new ATOM 0 HA3 GLY A 26 -18.298 3.693 -3.673 1.00 0.93 H new ATOM 394 N PRO A 27 -16.164 3.588 -5.388 1.00 1.03 N ATOM 395 CA PRO A 27 -14.847 3.773 -5.987 1.00 1.22 C ATOM 396 C PRO A 27 -13.998 4.811 -5.240 1.00 1.47 C ATOM 397 O PRO A 27 -14.519 5.774 -4.684 1.00 1.51 O ATOM 398 CB PRO A 27 -15.119 4.194 -7.434 1.00 1.39 C ATOM 399 CG PRO A 27 -16.456 4.930 -7.333 1.00 1.35 C ATOM 400 CD PRO A 27 -17.195 4.146 -6.245 1.00 1.13 C ATOM 0 HA PRO A 27 -14.260 2.856 -5.934 1.00 1.22 H new ATOM 0 HB2 PRO A 27 -14.331 4.840 -7.821 1.00 1.39 H new ATOM 0 HB3 PRO A 27 -15.181 3.333 -8.100 1.00 1.39 H new ATOM 0 HG2 PRO A 27 -16.322 5.976 -7.057 1.00 1.35 H new ATOM 0 HG3 PRO A 27 -16.997 4.917 -8.279 1.00 1.35 H new ATOM 0 HD2 PRO A 27 -17.863 4.796 -5.680 1.00 1.13 H new ATOM 0 HD3 PRO A 27 -17.810 3.358 -6.680 1.00 1.13 H new ATOM 408 N VAL A 28 -12.676 4.616 -5.273 1.00 1.08 N ATOM 409 CA VAL A 28 -11.648 5.466 -4.645 1.00 1.14 C ATOM 410 C VAL A 28 -10.473 5.600 -5.620 1.00 1.21 C ATOM 411 O VAL A 28 -10.100 4.624 -6.274 1.00 1.16 O ATOM 412 CB VAL A 28 -11.162 4.877 -3.291 1.00 1.20 C ATOM 413 CG1 VAL A 28 -10.059 5.735 -2.641 1.00 1.62 C ATOM 414 CG2 VAL A 28 -12.328 4.735 -2.295 1.00 1.78 C ATOM 0 H VAL A 28 -12.268 3.820 -5.763 1.00 1.08 H new ATOM 0 HA VAL A 28 -12.078 6.444 -4.430 1.00 1.14 H new ATOM 0 HB VAL A 28 -10.750 3.895 -3.521 1.00 1.20 H new ATOM 0 HG11 VAL A 28 -9.754 5.282 -1.698 1.00 1.62 H new ATOM 0 HG12 VAL A 28 -9.201 5.793 -3.311 1.00 1.62 H new ATOM 0 HG13 VAL A 28 -10.441 6.738 -2.454 1.00 1.62 H new ATOM 0 HG21 VAL A 28 -11.957 4.321 -1.357 1.00 1.78 H new ATOM 0 HG22 VAL A 28 -12.769 5.714 -2.110 1.00 1.78 H new ATOM 0 HG23 VAL A 28 -13.084 4.069 -2.712 1.00 1.78 H new ATOM 424 N ARG A 29 -9.894 6.803 -5.718 1.00 1.13 N ATOM 425 CA ARG A 29 -8.690 7.057 -6.515 1.00 1.08 C ATOM 426 C ARG A 29 -7.461 7.322 -5.641 1.00 1.55 C ATOM 427 O ARG A 29 -7.589 7.780 -4.507 1.00 1.88 O ATOM 428 CB ARG A 29 -8.874 8.260 -7.460 1.00 1.31 C ATOM 429 CG ARG A 29 -9.818 8.025 -8.650 1.00 1.36 C ATOM 430 CD ARG A 29 -9.372 8.960 -9.782 1.00 1.90 C ATOM 431 NE ARG A 29 -10.165 8.810 -11.015 1.00 1.92 N ATOM 432 CZ ARG A 29 -9.732 9.110 -12.239 1.00 2.99 C ATOM 433 NH1 ARG A 29 -8.497 9.508 -12.473 1.00 3.77 N ATOM 434 NH2 ARG A 29 -10.555 9.013 -13.264 1.00 4.07 N ATOM 0 H ARG A 29 -10.251 7.632 -5.243 1.00 1.13 H new ATOM 0 HA ARG A 29 -8.530 6.150 -7.097 1.00 1.08 H new ATOM 0 HB2 ARG A 29 -9.251 9.102 -6.880 1.00 1.31 H new ATOM 0 HB3 ARG A 29 -7.897 8.551 -7.845 1.00 1.31 H new ATOM 0 HG2 ARG A 29 -9.777 6.985 -8.973 1.00 1.36 H new ATOM 0 HG3 ARG A 29 -10.850 8.230 -8.367 1.00 1.36 H new ATOM 0 HD2 ARG A 29 -9.441 9.992 -9.438 1.00 1.90 H new ATOM 0 HD3 ARG A 29 -8.323 8.769 -10.009 1.00 1.90 H new ATOM 0 HE ARG A 29 -11.115 8.450 -10.925 1.00 1.92 H new ATOM 0 HH11 ARG A 29 -7.835 9.595 -11.702 1.00 3.77 H new ATOM 0 HH12 ARG A 29 -8.204 9.728 -13.425 1.00 3.77 H new ATOM 0 HH21 ARG A 29 -11.518 8.710 -13.118 1.00 4.07 H new ATOM 0 HH22 ARG A 29 -10.229 9.241 -14.203 1.00 4.07 H new ATOM 448 N LEU A 30 -6.266 7.178 -6.231 1.00 0.93 N ATOM 449 CA LEU A 30 -5.025 7.747 -5.678 1.00 0.95 C ATOM 450 C LEU A 30 -5.159 9.269 -5.573 1.00 1.19 C ATOM 451 O LEU A 30 -4.896 9.855 -4.531 1.00 1.33 O ATOM 452 CB LEU A 30 -3.838 7.374 -6.592 1.00 0.80 C ATOM 453 CG LEU A 30 -2.480 7.196 -5.891 1.00 1.10 C ATOM 454 CD1 LEU A 30 -1.445 6.749 -6.928 1.00 2.47 C ATOM 455 CD2 LEU A 30 -1.962 8.474 -5.224 1.00 1.77 C ATOM 0 H LEU A 30 -6.131 6.666 -7.103 1.00 0.93 H new ATOM 0 HA LEU A 30 -4.846 7.342 -4.682 1.00 0.95 H new ATOM 0 HB2 LEU A 30 -4.081 6.447 -7.111 1.00 0.80 H new ATOM 0 HB3 LEU A 30 -3.734 8.147 -7.353 1.00 0.80 H new ATOM 0 HG LEU A 30 -2.628 6.455 -5.106 1.00 1.10 H new ATOM 0 HD11 LEU A 30 -0.477 6.619 -6.444 1.00 2.47 H new ATOM 0 HD12 LEU A 30 -1.759 5.804 -7.371 1.00 2.47 H new ATOM 0 HD13 LEU A 30 -1.362 7.506 -7.708 1.00 2.47 H new ATOM 0 HD21 LEU A 30 -1.001 8.273 -4.750 1.00 1.77 H new ATOM 0 HD22 LEU A 30 -1.840 9.253 -5.976 1.00 1.77 H new ATOM 0 HD23 LEU A 30 -2.676 8.806 -4.470 1.00 1.77 H new ATOM 467 N SER A 31 -5.638 9.917 -6.631 1.00 1.09 N ATOM 468 CA SER A 31 -5.762 11.373 -6.745 1.00 1.29 C ATOM 469 C SER A 31 -6.677 12.049 -5.707 1.00 1.57 C ATOM 470 O SER A 31 -6.583 13.266 -5.543 1.00 2.01 O ATOM 471 CB SER A 31 -6.128 11.778 -8.187 1.00 1.44 C ATOM 472 OG SER A 31 -7.166 10.986 -8.742 1.00 1.47 O ATOM 0 H SER A 31 -5.963 9.428 -7.465 1.00 1.09 H new ATOM 0 HA SER A 31 -4.772 11.760 -6.502 1.00 1.29 H new ATOM 0 HB2 SER A 31 -6.433 12.825 -8.198 1.00 1.44 H new ATOM 0 HB3 SER A 31 -5.242 11.698 -8.816 1.00 1.44 H new ATOM 0 HG SER A 31 -6.867 10.606 -9.595 1.00 1.47 H new ATOM 478 N GLN A 32 -7.465 11.292 -4.931 1.00 1.19 N ATOM 479 CA GLN A 32 -8.130 11.792 -3.714 1.00 1.36 C ATOM 480 C GLN A 32 -7.126 12.339 -2.684 1.00 1.75 C ATOM 481 O GLN A 32 -7.504 13.111 -1.806 1.00 1.93 O ATOM 482 CB GLN A 32 -8.921 10.648 -3.049 1.00 1.67 C ATOM 483 CG GLN A 32 -10.131 10.142 -3.847 1.00 1.46 C ATOM 484 CD GLN A 32 -11.224 11.193 -4.007 1.00 1.99 C ATOM 485 OE1 GLN A 32 -11.431 11.740 -5.073 1.00 2.70 O ATOM 486 NE2 GLN A 32 -11.948 11.525 -2.959 1.00 2.52 N ATOM 0 H GLN A 32 -7.662 10.311 -5.129 1.00 1.19 H new ATOM 0 HA GLN A 32 -8.790 12.603 -4.022 1.00 1.36 H new ATOM 0 HB2 GLN A 32 -8.244 9.811 -2.877 1.00 1.67 H new ATOM 0 HB3 GLN A 32 -9.266 10.986 -2.072 1.00 1.67 H new ATOM 0 HG2 GLN A 32 -9.799 9.819 -4.834 1.00 1.46 H new ATOM 0 HG3 GLN A 32 -10.547 9.267 -3.348 1.00 1.46 H new ATOM 0 HE21 GLN A 32 -11.782 11.072 -2.060 1.00 2.52 H new ATOM 0 HE22 GLN A 32 -12.675 12.235 -3.046 1.00 2.52 H new ATOM 495 N PHE A 33 -5.858 11.929 -2.784 1.00 1.30 N ATOM 496 CA PHE A 33 -4.795 12.162 -1.816 1.00 1.44 C ATOM 497 C PHE A 33 -3.512 12.678 -2.516 1.00 2.34 C ATOM 498 O PHE A 33 -2.406 12.449 -2.024 1.00 2.83 O ATOM 499 CB PHE A 33 -4.534 10.820 -1.110 1.00 1.59 C ATOM 500 CG PHE A 33 -5.740 9.959 -0.751 1.00 1.40 C ATOM 501 CD1 PHE A 33 -6.639 10.362 0.256 1.00 2.36 C ATOM 502 CD2 PHE A 33 -5.957 8.737 -1.426 1.00 2.18 C ATOM 503 CE1 PHE A 33 -7.728 9.537 0.598 1.00 2.43 C ATOM 504 CE2 PHE A 33 -7.052 7.922 -1.091 1.00 1.98 C ATOM 505 CZ PHE A 33 -7.936 8.321 -0.072 1.00 1.51 C ATOM 0 H PHE A 33 -5.533 11.396 -3.590 1.00 1.30 H new ATOM 0 HA PHE A 33 -5.088 12.927 -1.097 1.00 1.44 H new ATOM 0 HB2 PHE A 33 -3.878 10.228 -1.748 1.00 1.59 H new ATOM 0 HB3 PHE A 33 -3.984 11.026 -0.192 1.00 1.59 H new ATOM 0 HD1 PHE A 33 -6.493 11.303 0.765 1.00 2.36 H new ATOM 0 HD2 PHE A 33 -5.276 8.427 -2.205 1.00 2.18 H new ATOM 0 HE1 PHE A 33 -8.407 9.842 1.380 1.00 2.43 H new ATOM 0 HE2 PHE A 33 -7.214 6.992 -1.615 1.00 1.98 H new ATOM 0 HZ PHE A 33 -8.773 7.693 0.194 1.00 1.51 H new ATOM 515 N GLN A 34 -3.643 13.308 -3.693 1.00 1.09 N ATOM 516 CA GLN A 34 -2.513 13.595 -4.590 1.00 1.18 C ATOM 517 C GLN A 34 -1.404 14.436 -3.938 1.00 1.75 C ATOM 518 O GLN A 34 -0.235 14.091 -4.065 1.00 2.47 O ATOM 519 CB GLN A 34 -3.015 14.209 -5.915 1.00 1.11 C ATOM 520 CG GLN A 34 -3.764 15.550 -5.804 1.00 1.54 C ATOM 521 CD GLN A 34 -4.542 15.897 -7.079 1.00 1.80 C ATOM 522 OE1 GLN A 34 -4.078 16.624 -7.940 1.00 2.39 O ATOM 523 NE2 GLN A 34 -5.737 15.378 -7.276 1.00 2.94 N ATOM 0 H GLN A 34 -4.540 13.634 -4.051 1.00 1.09 H new ATOM 0 HA GLN A 34 -2.039 12.639 -4.814 1.00 1.18 H new ATOM 0 HB2 GLN A 34 -2.158 14.349 -6.574 1.00 1.11 H new ATOM 0 HB3 GLN A 34 -3.674 13.488 -6.398 1.00 1.11 H new ATOM 0 HG2 GLN A 34 -4.454 15.508 -4.961 1.00 1.54 H new ATOM 0 HG3 GLN A 34 -3.049 16.345 -5.591 1.00 1.54 H new ATOM 0 HE21 GLN A 34 -6.150 14.766 -6.572 1.00 2.94 H new ATOM 0 HE22 GLN A 34 -6.249 15.588 -8.133 1.00 2.94 H new ATOM 532 N ASP A 35 -1.758 15.475 -3.183 1.00 1.70 N ATOM 533 CA ASP A 35 -0.836 16.367 -2.469 1.00 2.19 C ATOM 534 C ASP A 35 -0.221 15.743 -1.200 1.00 2.17 C ATOM 535 O ASP A 35 0.687 16.317 -0.604 1.00 2.53 O ATOM 536 CB ASP A 35 -1.606 17.650 -2.105 1.00 2.69 C ATOM 537 CG ASP A 35 -2.681 17.415 -1.037 1.00 2.35 C ATOM 538 OD1 ASP A 35 -3.536 16.515 -1.212 1.00 3.15 O ATOM 539 OD2 ASP A 35 -2.684 18.121 -0.002 1.00 2.87 O ATOM 0 H ASP A 35 -2.735 15.732 -3.044 1.00 1.70 H new ATOM 0 HA ASP A 35 0.006 16.574 -3.130 1.00 2.19 H new ATOM 0 HB2 ASP A 35 -0.902 18.401 -1.747 1.00 2.69 H new ATOM 0 HB3 ASP A 35 -2.074 18.054 -3.002 1.00 2.69 H new ATOM 544 N LYS A 36 -0.723 14.580 -0.769 1.00 1.70 N ATOM 545 CA LYS A 36 -0.306 13.852 0.434 1.00 1.74 C ATOM 546 C LYS A 36 0.766 12.802 0.105 1.00 1.91 C ATOM 547 O LYS A 36 1.290 12.769 -1.008 1.00 2.02 O ATOM 548 CB LYS A 36 -1.546 13.199 1.092 1.00 1.78 C ATOM 549 CG LYS A 36 -2.771 14.094 1.206 1.00 1.91 C ATOM 550 CD LYS A 36 -2.434 15.359 2.004 1.00 2.71 C ATOM 551 CE LYS A 36 -3.751 15.919 2.502 1.00 2.45 C ATOM 552 NZ LYS A 36 -4.478 16.599 1.405 1.00 2.99 N ATOM 0 H LYS A 36 -1.467 14.098 -1.274 1.00 1.70 H new ATOM 0 HA LYS A 36 0.141 14.555 1.137 1.00 1.74 H new ATOM 0 HB2 LYS A 36 -1.817 12.313 0.518 1.00 1.78 H new ATOM 0 HB3 LYS A 36 -1.270 12.860 2.091 1.00 1.78 H new ATOM 0 HG2 LYS A 36 -3.124 14.367 0.212 1.00 1.91 H new ATOM 0 HG3 LYS A 36 -3.581 13.553 1.695 1.00 1.91 H new ATOM 0 HD2 LYS A 36 -1.772 15.126 2.838 1.00 2.71 H new ATOM 0 HD3 LYS A 36 -1.916 16.086 1.378 1.00 2.71 H new ATOM 0 HE2 LYS A 36 -4.364 15.114 2.907 1.00 2.45 H new ATOM 0 HE3 LYS A 36 -3.569 16.622 3.315 1.00 2.45 H new ATOM 0 HZ1 LYS A 36 -5.426 16.871 1.734 1.00 2.99 H new ATOM 0 HZ2 LYS A 36 -3.954 17.450 1.116 1.00 2.99 H new ATOM 0 HZ3 LYS A 36 -4.565 15.954 0.594 1.00 2.99 H new ATOM 566 N VAL A 37 1.089 11.932 1.063 1.00 1.60 N ATOM 567 CA VAL A 37 1.755 10.648 0.854 1.00 1.54 C ATOM 568 C VAL A 37 0.684 9.543 0.879 1.00 1.55 C ATOM 569 O VAL A 37 -0.023 9.366 1.867 1.00 1.73 O ATOM 570 CB VAL A 37 2.848 10.326 1.913 1.00 1.95 C ATOM 571 CG1 VAL A 37 3.904 9.459 1.210 1.00 2.31 C ATOM 572 CG2 VAL A 37 3.538 11.542 2.565 1.00 2.07 C ATOM 0 H VAL A 37 0.885 12.111 2.046 1.00 1.60 H new ATOM 0 HA VAL A 37 2.268 10.701 -0.106 1.00 1.54 H new ATOM 0 HB VAL A 37 2.347 9.826 2.742 1.00 1.95 H new ATOM 0 HG11 VAL A 37 4.695 9.206 1.916 1.00 2.31 H new ATOM 0 HG12 VAL A 37 3.438 8.544 0.844 1.00 2.31 H new ATOM 0 HG13 VAL A 37 4.328 10.011 0.371 1.00 2.31 H new ATOM 0 HG21 VAL A 37 4.280 11.197 3.285 1.00 2.07 H new ATOM 0 HG22 VAL A 37 4.029 12.137 1.795 1.00 2.07 H new ATOM 0 HG23 VAL A 37 2.793 12.152 3.076 1.00 2.07 H new ATOM 582 N VAL A 38 0.578 8.784 -0.208 1.00 1.24 N ATOM 583 CA VAL A 38 -0.147 7.505 -0.252 1.00 1.18 C ATOM 584 C VAL A 38 0.870 6.373 -0.240 1.00 1.27 C ATOM 585 O VAL A 38 1.861 6.425 -0.975 1.00 1.21 O ATOM 586 CB VAL A 38 -1.057 7.366 -1.491 1.00 1.30 C ATOM 587 CG1 VAL A 38 -1.886 6.068 -1.460 1.00 1.36 C ATOM 588 CG2 VAL A 38 -2.031 8.542 -1.548 1.00 1.49 C ATOM 0 H VAL A 38 0.999 9.039 -1.101 1.00 1.24 H new ATOM 0 HA VAL A 38 -0.799 7.464 0.620 1.00 1.18 H new ATOM 0 HB VAL A 38 -0.405 7.347 -2.365 1.00 1.30 H new ATOM 0 HG11 VAL A 38 -2.511 6.014 -2.352 1.00 1.36 H new ATOM 0 HG12 VAL A 38 -1.216 5.209 -1.434 1.00 1.36 H new ATOM 0 HG13 VAL A 38 -2.519 6.062 -0.573 1.00 1.36 H new ATOM 0 HG21 VAL A 38 -2.672 8.441 -2.424 1.00 1.49 H new ATOM 0 HG22 VAL A 38 -2.645 8.550 -0.648 1.00 1.49 H new ATOM 0 HG23 VAL A 38 -1.471 9.475 -1.613 1.00 1.49 H new ATOM 598 N LEU A 39 0.615 5.360 0.592 1.00 1.07 N ATOM 599 CA LEU A 39 1.368 4.114 0.660 1.00 1.01 C ATOM 600 C LEU A 39 0.467 2.993 0.113 1.00 1.36 C ATOM 601 O LEU A 39 -0.540 2.635 0.726 1.00 1.39 O ATOM 602 CB LEU A 39 1.817 3.846 2.112 1.00 1.05 C ATOM 603 CG LEU A 39 2.903 4.801 2.670 1.00 1.15 C ATOM 604 CD1 LEU A 39 2.403 6.224 2.982 1.00 2.37 C ATOM 605 CD2 LEU A 39 3.482 4.203 3.958 1.00 1.29 C ATOM 0 H LEU A 39 -0.154 5.391 1.262 1.00 1.07 H new ATOM 0 HA LEU A 39 2.275 4.167 0.058 1.00 1.01 H new ATOM 0 HB2 LEU A 39 0.942 3.904 2.759 1.00 1.05 H new ATOM 0 HB3 LEU A 39 2.192 2.824 2.174 1.00 1.05 H new ATOM 0 HG LEU A 39 3.650 4.896 1.882 1.00 1.15 H new ATOM 0 HD11 LEU A 39 3.228 6.823 3.367 1.00 2.37 H new ATOM 0 HD12 LEU A 39 2.016 6.682 2.071 1.00 2.37 H new ATOM 0 HD13 LEU A 39 1.610 6.176 3.728 1.00 2.37 H new ATOM 0 HD21 LEU A 39 4.247 4.869 4.357 1.00 1.29 H new ATOM 0 HD22 LEU A 39 2.686 4.083 4.693 1.00 1.29 H new ATOM 0 HD23 LEU A 39 3.925 3.231 3.741 1.00 1.29 H new ATOM 617 N LEU A 40 0.835 2.438 -1.044 1.00 0.94 N ATOM 618 CA LEU A 40 0.124 1.318 -1.669 1.00 0.85 C ATOM 619 C LEU A 40 0.814 0.013 -1.299 1.00 1.06 C ATOM 620 O LEU A 40 2.041 -0.041 -1.294 1.00 1.12 O ATOM 621 CB LEU A 40 0.168 1.405 -3.202 1.00 1.09 C ATOM 622 CG LEU A 40 -0.840 2.343 -3.882 1.00 0.98 C ATOM 623 CD1 LEU A 40 -0.248 3.750 -4.032 1.00 2.83 C ATOM 624 CD2 LEU A 40 -1.150 1.731 -5.256 1.00 2.44 C ATOM 0 H LEU A 40 1.643 2.756 -1.579 1.00 0.94 H new ATOM 0 HA LEU A 40 -0.907 1.358 -1.318 1.00 0.85 H new ATOM 0 HB2 LEU A 40 1.170 1.718 -3.494 1.00 1.09 H new ATOM 0 HB3 LEU A 40 0.018 0.402 -3.602 1.00 1.09 H new ATOM 0 HG LEU A 40 -1.748 2.442 -3.288 1.00 0.98 H new ATOM 0 HD11 LEU A 40 -0.976 4.401 -4.516 1.00 2.83 H new ATOM 0 HD12 LEU A 40 -0.002 4.148 -3.048 1.00 2.83 H new ATOM 0 HD13 LEU A 40 0.656 3.702 -4.639 1.00 2.83 H new ATOM 0 HD21 LEU A 40 -1.865 2.363 -5.783 1.00 2.44 H new ATOM 0 HD22 LEU A 40 -0.231 1.660 -5.838 1.00 2.44 H new ATOM 0 HD23 LEU A 40 -1.574 0.735 -5.124 1.00 2.44 H new ATOM 636 N PHE A 41 0.030 -1.043 -1.079 1.00 0.85 N ATOM 637 CA PHE A 41 0.526 -2.383 -0.743 1.00 0.77 C ATOM 638 C PHE A 41 -0.322 -3.459 -1.439 1.00 1.50 C ATOM 639 O PHE A 41 -1.534 -3.545 -1.229 1.00 1.77 O ATOM 640 CB PHE A 41 0.549 -2.529 0.793 1.00 0.71 C ATOM 641 CG PHE A 41 1.265 -3.727 1.413 1.00 0.77 C ATOM 642 CD1 PHE A 41 2.227 -4.482 0.709 1.00 2.02 C ATOM 643 CD2 PHE A 41 1.011 -4.038 2.764 1.00 1.73 C ATOM 644 CE1 PHE A 41 2.915 -5.531 1.342 1.00 2.02 C ATOM 645 CE2 PHE A 41 1.700 -5.088 3.399 1.00 1.68 C ATOM 646 CZ PHE A 41 2.654 -5.833 2.689 1.00 1.06 C ATOM 0 H PHE A 41 -0.987 -0.992 -1.130 1.00 0.85 H new ATOM 0 HA PHE A 41 1.544 -2.520 -1.108 1.00 0.77 H new ATOM 0 HB2 PHE A 41 1.003 -1.627 1.202 1.00 0.71 H new ATOM 0 HB3 PHE A 41 -0.485 -2.550 1.137 1.00 0.71 H new ATOM 0 HD1 PHE A 41 2.436 -4.252 -0.325 1.00 2.02 H new ATOM 0 HD2 PHE A 41 0.281 -3.465 3.317 1.00 1.73 H new ATOM 0 HE1 PHE A 41 3.645 -6.106 0.792 1.00 2.02 H new ATOM 0 HE2 PHE A 41 1.494 -5.321 4.433 1.00 1.68 H new ATOM 0 HZ PHE A 41 3.186 -6.636 3.177 1.00 1.06 H new ATOM 656 N PHE A 42 0.308 -4.264 -2.297 1.00 0.82 N ATOM 657 CA PHE A 42 -0.374 -5.258 -3.127 1.00 0.83 C ATOM 658 C PHE A 42 -0.266 -6.641 -2.471 1.00 1.87 C ATOM 659 O PHE A 42 0.840 -7.121 -2.224 1.00 2.24 O ATOM 660 CB PHE A 42 0.225 -5.229 -4.540 1.00 0.85 C ATOM 661 CG PHE A 42 -0.044 -3.935 -5.294 1.00 0.82 C ATOM 662 CD1 PHE A 42 0.811 -2.827 -5.134 1.00 2.01 C ATOM 663 CD2 PHE A 42 -1.146 -3.839 -6.165 1.00 2.12 C ATOM 664 CE1 PHE A 42 0.584 -1.645 -5.863 1.00 1.97 C ATOM 665 CE2 PHE A 42 -1.373 -2.658 -6.894 1.00 2.04 C ATOM 666 CZ PHE A 42 -0.503 -1.563 -6.750 1.00 0.93 C ATOM 0 H PHE A 42 1.318 -4.243 -2.436 1.00 0.82 H new ATOM 0 HA PHE A 42 -1.435 -5.025 -3.212 1.00 0.83 H new ATOM 0 HB2 PHE A 42 1.302 -5.381 -4.471 1.00 0.85 H new ATOM 0 HB3 PHE A 42 -0.179 -6.063 -5.113 1.00 0.85 H new ATOM 0 HD1 PHE A 42 1.644 -2.885 -4.449 1.00 2.01 H new ATOM 0 HD2 PHE A 42 -1.820 -4.676 -6.274 1.00 2.12 H new ATOM 0 HE1 PHE A 42 1.246 -0.800 -5.741 1.00 1.97 H new ATOM 0 HE2 PHE A 42 -2.217 -2.592 -7.565 1.00 2.04 H new ATOM 0 HZ PHE A 42 -0.670 -0.661 -7.320 1.00 0.93 H new ATOM 676 N GLY A 43 -1.404 -7.253 -2.127 1.00 0.98 N ATOM 677 CA GLY A 43 -1.471 -8.615 -1.590 1.00 1.19 C ATOM 678 C GLY A 43 -2.722 -9.411 -1.960 1.00 1.27 C ATOM 679 O GLY A 43 -3.649 -8.920 -2.601 1.00 1.26 O ATOM 0 H GLY A 43 -2.318 -6.809 -2.215 1.00 0.98 H new ATOM 0 HA2 GLY A 43 -0.596 -9.166 -1.936 1.00 1.19 H new ATOM 0 HA3 GLY A 43 -1.405 -8.561 -0.503 1.00 1.19 H new ATOM 683 N PHE A 44 -2.767 -10.636 -1.447 1.00 1.39 N ATOM 684 CA PHE A 44 -3.997 -11.389 -1.169 1.00 1.18 C ATOM 685 C PHE A 44 -4.162 -11.487 0.359 1.00 1.66 C ATOM 686 O PHE A 44 -3.148 -11.556 1.057 1.00 2.38 O ATOM 687 CB PHE A 44 -3.856 -12.775 -1.819 1.00 1.32 C ATOM 688 CG PHE A 44 -5.062 -13.675 -1.648 1.00 1.89 C ATOM 689 CD1 PHE A 44 -6.178 -13.502 -2.483 1.00 3.31 C ATOM 690 CD2 PHE A 44 -5.078 -14.686 -0.668 1.00 2.79 C ATOM 691 CE1 PHE A 44 -7.312 -14.318 -2.331 1.00 4.50 C ATOM 692 CE2 PHE A 44 -6.213 -15.503 -0.515 1.00 3.91 C ATOM 693 CZ PHE A 44 -7.335 -15.313 -1.341 1.00 4.58 C ATOM 0 H PHE A 44 -1.923 -11.154 -1.203 1.00 1.39 H new ATOM 0 HA PHE A 44 -4.882 -10.902 -1.578 1.00 1.18 H new ATOM 0 HB2 PHE A 44 -3.664 -12.645 -2.884 1.00 1.32 H new ATOM 0 HB3 PHE A 44 -2.984 -13.273 -1.396 1.00 1.32 H new ATOM 0 HD1 PHE A 44 -6.165 -12.738 -3.246 1.00 3.31 H new ATOM 0 HD2 PHE A 44 -4.217 -14.834 -0.033 1.00 2.79 H new ATOM 0 HE1 PHE A 44 -8.167 -14.179 -2.977 1.00 4.50 H new ATOM 0 HE2 PHE A 44 -6.223 -16.277 0.238 1.00 3.91 H new ATOM 0 HZ PHE A 44 -8.212 -15.931 -1.214 1.00 4.58 H new ATOM 703 N THR A 45 -5.385 -11.505 0.911 1.00 1.08 N ATOM 704 CA THR A 45 -5.623 -11.511 2.380 1.00 1.09 C ATOM 705 C THR A 45 -4.839 -12.579 3.133 1.00 1.51 C ATOM 706 O THR A 45 -4.231 -12.276 4.156 1.00 2.18 O ATOM 707 CB THR A 45 -7.110 -11.655 2.726 1.00 1.28 C ATOM 708 OG1 THR A 45 -7.686 -12.682 1.950 1.00 2.12 O ATOM 709 CG2 THR A 45 -7.848 -10.329 2.536 1.00 1.27 C ATOM 0 H THR A 45 -6.243 -11.516 0.360 1.00 1.08 H new ATOM 0 HA THR A 45 -5.259 -10.538 2.709 1.00 1.09 H new ATOM 0 HB THR A 45 -7.202 -11.927 3.778 1.00 1.28 H new ATOM 0 HG1 THR A 45 -8.194 -12.288 1.211 1.00 2.12 H new ATOM 0 HG21 THR A 45 -8.900 -10.459 2.788 1.00 1.27 H new ATOM 0 HG22 THR A 45 -7.410 -9.572 3.187 1.00 1.27 H new ATOM 0 HG23 THR A 45 -7.760 -10.009 1.498 1.00 1.27 H new ATOM 717 N ARG A 46 -4.773 -13.808 2.617 1.00 1.55 N ATOM 718 CA ARG A 46 -4.027 -14.924 3.230 1.00 1.71 C ATOM 719 C ARG A 46 -2.495 -14.876 3.011 1.00 1.86 C ATOM 720 O ARG A 46 -1.851 -15.924 2.985 1.00 2.57 O ATOM 721 CB ARG A 46 -4.645 -16.277 2.819 1.00 2.01 C ATOM 722 CG ARG A 46 -6.137 -16.439 3.179 1.00 2.49 C ATOM 723 CD ARG A 46 -6.448 -16.317 4.680 1.00 3.73 C ATOM 724 NE ARG A 46 -5.747 -17.346 5.479 1.00 4.35 N ATOM 725 CZ ARG A 46 -6.244 -18.483 5.960 1.00 5.35 C ATOM 726 NH1 ARG A 46 -7.501 -18.844 5.798 1.00 6.16 N ATOM 727 NH2 ARG A 46 -5.462 -19.304 6.631 1.00 6.22 N ATOM 0 H ARG A 46 -5.241 -14.066 1.748 1.00 1.55 H new ATOM 0 HA ARG A 46 -4.136 -14.807 4.308 1.00 1.71 H new ATOM 0 HB2 ARG A 46 -4.529 -16.402 1.742 1.00 2.01 H new ATOM 0 HB3 ARG A 46 -4.081 -17.079 3.296 1.00 2.01 H new ATOM 0 HG2 ARG A 46 -6.712 -15.686 2.640 1.00 2.49 H new ATOM 0 HG3 ARG A 46 -6.479 -17.413 2.828 1.00 2.49 H new ATOM 0 HD2 ARG A 46 -6.158 -15.327 5.031 1.00 3.73 H new ATOM 0 HD3 ARG A 46 -7.523 -16.408 4.836 1.00 3.73 H new ATOM 0 HE ARG A 46 -4.765 -17.162 5.686 1.00 4.35 H new ATOM 0 HH11 ARG A 46 -8.143 -18.241 5.284 1.00 6.16 H new ATOM 0 HH12 ARG A 46 -7.832 -19.727 6.187 1.00 6.16 H new ATOM 0 HH21 ARG A 46 -4.481 -19.067 6.780 1.00 6.22 H new ATOM 0 HH22 ARG A 46 -5.837 -20.177 7.002 1.00 6.22 H new ATOM 741 N CYS A 47 -1.900 -13.688 2.852 1.00 1.50 N ATOM 742 CA CYS A 47 -0.449 -13.471 2.950 1.00 1.72 C ATOM 743 C CYS A 47 0.172 -14.230 4.149 1.00 1.68 C ATOM 744 O CYS A 47 -0.490 -14.346 5.181 1.00 2.02 O ATOM 745 CB CYS A 47 -0.192 -11.968 3.107 1.00 2.23 C ATOM 746 SG CYS A 47 -0.113 -11.152 1.495 1.00 3.67 S ATOM 0 H CYS A 47 -2.421 -12.835 2.648 1.00 1.50 H new ATOM 0 HA CYS A 47 0.019 -13.855 2.044 1.00 1.72 H new ATOM 0 HB2 CYS A 47 -0.985 -11.521 3.707 1.00 2.23 H new ATOM 0 HB3 CYS A 47 0.743 -11.810 3.645 1.00 2.23 H new ATOM 0 HG CYS A 47 -1.298 -11.132 0.960 1.00 3.67 H new ATOM 752 N PRO A 48 1.427 -14.714 4.041 1.00 1.70 N ATOM 753 CA PRO A 48 1.995 -15.671 4.988 1.00 1.94 C ATOM 754 C PRO A 48 2.298 -15.076 6.368 1.00 1.80 C ATOM 755 O PRO A 48 2.005 -15.736 7.360 1.00 2.16 O ATOM 756 CB PRO A 48 3.261 -16.212 4.314 1.00 2.55 C ATOM 757 CG PRO A 48 3.676 -15.093 3.361 1.00 2.52 C ATOM 758 CD PRO A 48 2.333 -14.519 2.915 1.00 2.09 C ATOM 0 HA PRO A 48 1.271 -16.458 5.202 1.00 1.94 H new ATOM 0 HB2 PRO A 48 4.042 -16.426 5.044 1.00 2.55 H new ATOM 0 HB3 PRO A 48 3.063 -17.140 3.778 1.00 2.55 H new ATOM 0 HG2 PRO A 48 4.291 -14.344 3.859 1.00 2.52 H new ATOM 0 HG3 PRO A 48 4.255 -15.472 2.519 1.00 2.52 H new ATOM 0 HD2 PRO A 48 2.423 -13.462 2.663 1.00 2.09 H new ATOM 0 HD3 PRO A 48 1.966 -15.029 2.024 1.00 2.09 H new ATOM 766 N ASP A 49 2.843 -13.852 6.434 1.00 1.33 N ATOM 767 CA ASP A 49 3.197 -13.154 7.690 1.00 1.19 C ATOM 768 C ASP A 49 3.552 -11.684 7.411 1.00 1.17 C ATOM 769 O ASP A 49 3.032 -10.760 8.024 1.00 1.37 O ATOM 770 CB ASP A 49 4.380 -13.859 8.374 1.00 1.35 C ATOM 771 CG ASP A 49 4.734 -13.181 9.699 1.00 2.38 C ATOM 772 OD1 ASP A 49 5.508 -12.199 9.648 1.00 3.43 O ATOM 773 OD2 ASP A 49 4.214 -13.643 10.739 1.00 3.07 O ATOM 0 H ASP A 49 3.056 -13.304 5.601 1.00 1.33 H new ATOM 0 HA ASP A 49 2.333 -13.183 8.354 1.00 1.19 H new ATOM 0 HB2 ASP A 49 4.130 -14.905 8.552 1.00 1.35 H new ATOM 0 HB3 ASP A 49 5.246 -13.847 7.713 1.00 1.35 H new ATOM 778 N VAL A 50 4.373 -11.480 6.384 1.00 1.18 N ATOM 779 CA VAL A 50 4.813 -10.177 5.855 1.00 1.24 C ATOM 780 C VAL A 50 3.722 -9.094 5.772 1.00 1.42 C ATOM 781 O VAL A 50 4.006 -7.925 5.989 1.00 1.65 O ATOM 782 CB VAL A 50 5.465 -10.398 4.473 1.00 1.38 C ATOM 783 CG1 VAL A 50 4.480 -10.903 3.395 1.00 1.38 C ATOM 784 CG2 VAL A 50 6.184 -9.147 3.963 1.00 2.00 C ATOM 0 H VAL A 50 4.776 -12.259 5.864 1.00 1.18 H new ATOM 0 HA VAL A 50 5.528 -9.781 6.576 1.00 1.24 H new ATOM 0 HB VAL A 50 6.199 -11.186 4.642 1.00 1.38 H new ATOM 0 HG11 VAL A 50 5.010 -11.035 2.451 1.00 1.38 H new ATOM 0 HG12 VAL A 50 4.055 -11.856 3.709 1.00 1.38 H new ATOM 0 HG13 VAL A 50 3.680 -10.174 3.263 1.00 1.38 H new ATOM 0 HG21 VAL A 50 6.626 -9.353 2.988 1.00 2.00 H new ATOM 0 HG22 VAL A 50 5.470 -8.329 3.872 1.00 2.00 H new ATOM 0 HG23 VAL A 50 6.969 -8.867 4.665 1.00 2.00 H new ATOM 794 N CYS A 51 2.470 -9.459 5.464 1.00 1.38 N ATOM 795 CA CYS A 51 1.361 -8.502 5.411 1.00 1.47 C ATOM 796 C CYS A 51 0.928 -8.006 6.804 1.00 1.49 C ATOM 797 O CYS A 51 1.028 -6.798 7.020 1.00 1.68 O ATOM 798 CB CYS A 51 0.228 -9.053 4.540 1.00 1.76 C ATOM 799 SG CYS A 51 -0.971 -7.723 4.279 1.00 2.26 S ATOM 0 H CYS A 51 2.201 -10.418 5.246 1.00 1.38 H new ATOM 0 HA CYS A 51 1.709 -7.592 4.922 1.00 1.47 H new ATOM 0 HB2 CYS A 51 0.618 -9.407 3.586 1.00 1.76 H new ATOM 0 HB3 CYS A 51 -0.247 -9.905 5.026 1.00 1.76 H new ATOM 0 HG CYS A 51 -0.344 -6.632 3.951 1.00 2.26 H new ATOM 805 N PRO A 52 0.474 -8.862 7.748 1.00 1.19 N ATOM 806 CA PRO A 52 0.136 -8.419 9.095 1.00 1.19 C ATOM 807 C PRO A 52 1.312 -7.733 9.806 1.00 1.31 C ATOM 808 O PRO A 52 1.080 -6.707 10.444 1.00 1.19 O ATOM 809 CB PRO A 52 -0.380 -9.656 9.843 1.00 1.33 C ATOM 810 CG PRO A 52 0.065 -10.846 9.008 1.00 1.34 C ATOM 811 CD PRO A 52 0.119 -10.268 7.593 1.00 1.32 C ATOM 0 HA PRO A 52 -0.633 -7.647 9.065 1.00 1.19 H new ATOM 0 HB2 PRO A 52 0.033 -9.707 10.851 1.00 1.33 H new ATOM 0 HB3 PRO A 52 -1.465 -9.630 9.944 1.00 1.33 H new ATOM 0 HG2 PRO A 52 1.036 -11.224 9.328 1.00 1.34 H new ATOM 0 HG3 PRO A 52 -0.639 -11.675 9.079 1.00 1.34 H new ATOM 0 HD2 PRO A 52 0.856 -10.792 6.985 1.00 1.32 H new ATOM 0 HD3 PRO A 52 -0.842 -10.375 7.091 1.00 1.32 H new ATOM 819 N THR A 53 2.553 -8.223 9.654 1.00 0.89 N ATOM 820 CA THR A 53 3.749 -7.630 10.278 1.00 0.85 C ATOM 821 C THR A 53 4.000 -6.206 9.767 1.00 1.05 C ATOM 822 O THR A 53 3.981 -5.263 10.566 1.00 1.00 O ATOM 823 CB THR A 53 4.942 -8.582 10.089 1.00 0.93 C ATOM 824 OG1 THR A 53 4.539 -9.824 10.627 1.00 1.70 O ATOM 825 CG2 THR A 53 6.170 -8.130 10.878 1.00 1.63 C ATOM 0 H THR A 53 2.757 -9.048 9.090 1.00 0.89 H new ATOM 0 HA THR A 53 3.593 -7.517 11.351 1.00 0.85 H new ATOM 0 HB THR A 53 5.209 -8.619 9.033 1.00 0.93 H new ATOM 0 HG1 THR A 53 4.989 -10.550 10.147 1.00 1.70 H new ATOM 0 HG21 THR A 53 6.987 -8.833 10.714 1.00 1.63 H new ATOM 0 HG22 THR A 53 6.472 -7.138 10.544 1.00 1.63 H new ATOM 0 HG23 THR A 53 5.928 -8.097 11.940 1.00 1.63 H new ATOM 833 N THR A 54 4.099 -6.017 8.443 1.00 0.88 N ATOM 834 CA THR A 54 4.178 -4.692 7.795 1.00 0.86 C ATOM 835 C THR A 54 2.982 -3.801 8.137 1.00 0.90 C ATOM 836 O THR A 54 3.194 -2.634 8.447 1.00 0.92 O ATOM 837 CB THR A 54 4.387 -4.854 6.284 1.00 0.97 C ATOM 838 OG1 THR A 54 5.694 -5.321 6.029 1.00 1.40 O ATOM 839 CG2 THR A 54 4.265 -3.548 5.501 1.00 1.01 C ATOM 0 H THR A 54 4.127 -6.790 7.779 1.00 0.88 H new ATOM 0 HA THR A 54 5.047 -4.170 8.196 1.00 0.86 H new ATOM 0 HB THR A 54 3.607 -5.545 5.964 1.00 0.97 H new ATOM 0 HG1 THR A 54 5.864 -6.126 6.562 1.00 1.40 H new ATOM 0 HG21 THR A 54 4.425 -3.743 4.441 1.00 1.01 H new ATOM 0 HG22 THR A 54 3.270 -3.128 5.646 1.00 1.01 H new ATOM 0 HG23 THR A 54 5.013 -2.839 5.857 1.00 1.01 H new ATOM 847 N LEU A 55 1.740 -4.300 8.161 1.00 0.70 N ATOM 848 CA LEU A 55 0.566 -3.495 8.549 1.00 0.63 C ATOM 849 C LEU A 55 0.641 -3.018 10.006 1.00 1.14 C ATOM 850 O LEU A 55 0.156 -1.924 10.306 1.00 1.34 O ATOM 851 CB LEU A 55 -0.736 -4.294 8.335 1.00 0.66 C ATOM 852 CG LEU A 55 -1.208 -4.424 6.872 1.00 0.81 C ATOM 853 CD1 LEU A 55 -2.353 -5.449 6.808 1.00 1.39 C ATOM 854 CD2 LEU A 55 -1.701 -3.086 6.300 1.00 1.20 C ATOM 0 H LEU A 55 1.517 -5.264 7.915 1.00 0.70 H new ATOM 0 HA LEU A 55 0.565 -2.613 7.908 1.00 0.63 H new ATOM 0 HB2 LEU A 55 -0.597 -5.295 8.743 1.00 0.66 H new ATOM 0 HB3 LEU A 55 -1.530 -3.821 8.913 1.00 0.66 H new ATOM 0 HG LEU A 55 -0.357 -4.748 6.273 1.00 0.81 H new ATOM 0 HD11 LEU A 55 -2.695 -5.549 5.778 1.00 1.39 H new ATOM 0 HD12 LEU A 55 -1.997 -6.415 7.168 1.00 1.39 H new ATOM 0 HD13 LEU A 55 -3.179 -5.111 7.433 1.00 1.39 H new ATOM 0 HD21 LEU A 55 -2.023 -3.228 5.268 1.00 1.20 H new ATOM 0 HD22 LEU A 55 -2.539 -2.723 6.895 1.00 1.20 H new ATOM 0 HD23 LEU A 55 -0.891 -2.357 6.331 1.00 1.20 H new ATOM 866 N LEU A 56 1.256 -3.798 10.903 1.00 0.64 N ATOM 867 CA LEU A 56 1.493 -3.409 12.292 1.00 0.63 C ATOM 868 C LEU A 56 2.539 -2.288 12.357 1.00 1.08 C ATOM 869 O LEU A 56 2.309 -1.288 13.036 1.00 1.21 O ATOM 870 CB LEU A 56 1.914 -4.656 13.106 1.00 0.68 C ATOM 871 CG LEU A 56 1.409 -4.696 14.559 1.00 0.93 C ATOM 872 CD1 LEU A 56 1.895 -5.993 15.226 1.00 1.61 C ATOM 873 CD2 LEU A 56 1.855 -3.495 15.403 1.00 1.79 C ATOM 0 H LEU A 56 1.607 -4.729 10.678 1.00 0.64 H new ATOM 0 HA LEU A 56 0.578 -3.014 12.733 1.00 0.63 H new ATOM 0 HB2 LEU A 56 1.553 -5.545 12.589 1.00 0.68 H new ATOM 0 HB3 LEU A 56 3.002 -4.712 13.116 1.00 0.68 H new ATOM 0 HG LEU A 56 0.321 -4.655 14.513 1.00 0.93 H new ATOM 0 HD11 LEU A 56 1.540 -6.027 16.256 1.00 1.61 H new ATOM 0 HD12 LEU A 56 1.505 -6.852 14.679 1.00 1.61 H new ATOM 0 HD13 LEU A 56 2.985 -6.021 15.216 1.00 1.61 H new ATOM 0 HD21 LEU A 56 1.460 -3.594 16.414 1.00 1.79 H new ATOM 0 HD22 LEU A 56 2.944 -3.461 15.440 1.00 1.79 H new ATOM 0 HD23 LEU A 56 1.478 -2.576 14.955 1.00 1.79 H new ATOM 885 N ALA A 57 3.652 -2.403 11.627 1.00 0.74 N ATOM 886 CA ALA A 57 4.663 -1.341 11.561 1.00 0.85 C ATOM 887 C ALA A 57 4.124 -0.053 10.909 1.00 0.98 C ATOM 888 O ALA A 57 4.284 1.038 11.464 1.00 1.26 O ATOM 889 CB ALA A 57 5.873 -1.888 10.811 1.00 0.96 C ATOM 0 H ALA A 57 3.878 -3.227 11.069 1.00 0.74 H new ATOM 0 HA ALA A 57 4.948 -1.054 12.573 1.00 0.85 H new ATOM 0 HB1 ALA A 57 6.641 -1.117 10.748 1.00 0.96 H new ATOM 0 HB2 ALA A 57 6.270 -2.753 11.343 1.00 0.96 H new ATOM 0 HB3 ALA A 57 5.574 -2.186 9.806 1.00 0.96 H new ATOM 895 N LEU A 58 3.428 -0.179 9.773 1.00 0.74 N ATOM 896 CA LEU A 58 2.747 0.922 9.085 1.00 0.74 C ATOM 897 C LEU A 58 1.824 1.659 10.055 1.00 1.18 C ATOM 898 O LEU A 58 1.896 2.879 10.181 1.00 1.38 O ATOM 899 CB LEU A 58 1.945 0.380 7.882 1.00 0.72 C ATOM 900 CG LEU A 58 2.780 -0.031 6.652 1.00 0.93 C ATOM 901 CD1 LEU A 58 1.871 -0.734 5.632 1.00 1.11 C ATOM 902 CD2 LEU A 58 3.423 1.185 5.981 1.00 1.38 C ATOM 0 H LEU A 58 3.321 -1.074 9.295 1.00 0.74 H new ATOM 0 HA LEU A 58 3.494 1.625 8.717 1.00 0.74 H new ATOM 0 HB2 LEU A 58 1.369 -0.484 8.213 1.00 0.72 H new ATOM 0 HB3 LEU A 58 1.228 1.141 7.574 1.00 0.72 H new ATOM 0 HG LEU A 58 3.571 -0.701 6.990 1.00 0.93 H new ATOM 0 HD11 LEU A 58 2.458 -1.026 4.761 1.00 1.11 H new ATOM 0 HD12 LEU A 58 1.432 -1.622 6.087 1.00 1.11 H new ATOM 0 HD13 LEU A 58 1.077 -0.054 5.323 1.00 1.11 H new ATOM 0 HD21 LEU A 58 4.004 0.860 5.118 1.00 1.38 H new ATOM 0 HD22 LEU A 58 2.644 1.875 5.655 1.00 1.38 H new ATOM 0 HD23 LEU A 58 4.079 1.688 6.691 1.00 1.38 H new ATOM 914 N LYS A 59 0.979 0.938 10.800 1.00 0.67 N ATOM 915 CA LYS A 59 0.080 1.599 11.746 1.00 0.71 C ATOM 916 C LYS A 59 0.810 2.182 12.964 1.00 0.92 C ATOM 917 O LYS A 59 0.426 3.255 13.429 1.00 0.99 O ATOM 918 CB LYS A 59 -1.129 0.695 12.040 1.00 0.82 C ATOM 919 CG LYS A 59 -1.050 -0.376 13.138 1.00 0.88 C ATOM 920 CD LYS A 59 -1.079 0.227 14.545 1.00 1.07 C ATOM 921 CE LYS A 59 -1.823 -0.638 15.568 1.00 0.91 C ATOM 922 NZ LYS A 59 -2.312 0.189 16.698 1.00 1.35 N ATOM 0 H LYS A 59 0.900 -0.078 10.768 1.00 0.67 H new ATOM 0 HA LYS A 59 -0.334 2.497 11.286 1.00 0.71 H new ATOM 0 HB2 LYS A 59 -1.967 1.347 12.286 1.00 0.82 H new ATOM 0 HB3 LYS A 59 -1.384 0.186 11.111 1.00 0.82 H new ATOM 0 HG2 LYS A 59 -1.883 -1.070 13.026 1.00 0.88 H new ATOM 0 HG3 LYS A 59 -0.135 -0.954 13.012 1.00 0.88 H new ATOM 0 HD2 LYS A 59 -0.055 0.380 14.887 1.00 1.07 H new ATOM 0 HD3 LYS A 59 -1.550 1.209 14.501 1.00 1.07 H new ATOM 0 HE2 LYS A 59 -2.663 -1.138 15.086 1.00 0.91 H new ATOM 0 HE3 LYS A 59 -1.160 -1.418 15.942 1.00 0.91 H new ATOM 0 HZ1 LYS A 59 -3.163 -0.249 17.106 1.00 1.35 H new ATOM 0 HZ2 LYS A 59 -1.573 0.254 17.426 1.00 1.35 H new ATOM 0 HZ3 LYS A 59 -2.544 1.143 16.355 1.00 1.35 H new ATOM 936 N ARG A 60 1.893 1.550 13.443 1.00 0.77 N ATOM 937 CA ARG A 60 2.742 2.108 14.509 1.00 0.86 C ATOM 938 C ARG A 60 3.381 3.438 14.077 1.00 1.33 C ATOM 939 O ARG A 60 3.461 4.346 14.898 1.00 1.42 O ATOM 940 CB ARG A 60 3.822 1.103 14.935 1.00 0.90 C ATOM 941 CG ARG A 60 3.305 -0.108 15.735 1.00 1.00 C ATOM 942 CD ARG A 60 3.367 0.044 17.264 1.00 1.49 C ATOM 943 NE ARG A 60 2.168 0.685 17.836 1.00 2.85 N ATOM 944 CZ ARG A 60 1.816 0.716 19.116 1.00 4.01 C ATOM 945 NH1 ARG A 60 2.591 0.214 20.054 1.00 3.99 N ATOM 946 NH2 ARG A 60 0.671 1.248 19.480 1.00 5.52 N ATOM 0 H ARG A 60 2.205 0.640 13.104 1.00 0.77 H new ATOM 0 HA ARG A 60 2.101 2.307 15.368 1.00 0.86 H new ATOM 0 HB2 ARG A 60 4.331 0.739 14.042 1.00 0.90 H new ATOM 0 HB3 ARG A 60 4.566 1.625 15.536 1.00 0.90 H new ATOM 0 HG2 ARG A 60 2.272 -0.300 15.446 1.00 1.00 H new ATOM 0 HG3 ARG A 60 3.884 -0.986 15.449 1.00 1.00 H new ATOM 0 HD2 ARG A 60 3.494 -0.940 17.715 1.00 1.49 H new ATOM 0 HD3 ARG A 60 4.246 0.632 17.528 1.00 1.49 H new ATOM 0 HE ARG A 60 1.544 1.154 17.179 1.00 2.85 H new ATOM 0 HH11 ARG A 60 3.484 -0.211 19.804 1.00 3.99 H new ATOM 0 HH12 ARG A 60 2.298 0.250 21.031 1.00 3.99 H new ATOM 0 HH21 ARG A 60 0.045 1.641 18.777 1.00 5.52 H new ATOM 0 HH22 ARG A 60 0.408 1.268 20.465 1.00 5.52 H new ATOM 960 N ALA A 61 3.766 3.590 12.804 1.00 0.88 N ATOM 961 CA ALA A 61 4.256 4.857 12.259 1.00 0.93 C ATOM 962 C ALA A 61 3.198 5.972 12.311 1.00 1.08 C ATOM 963 O ALA A 61 3.521 7.075 12.743 1.00 1.15 O ATOM 964 CB ALA A 61 4.789 4.620 10.838 1.00 0.97 C ATOM 0 H ALA A 61 3.745 2.832 12.122 1.00 0.88 H new ATOM 0 HA ALA A 61 5.073 5.214 12.886 1.00 0.93 H new ATOM 0 HB1 ALA A 61 5.156 5.560 10.426 1.00 0.97 H new ATOM 0 HB2 ALA A 61 5.603 3.896 10.871 1.00 0.97 H new ATOM 0 HB3 ALA A 61 3.987 4.236 10.208 1.00 0.97 H new ATOM 970 N TYR A 62 1.943 5.679 11.943 1.00 0.94 N ATOM 971 CA TYR A 62 0.807 6.603 12.058 1.00 1.05 C ATOM 972 C TYR A 62 0.505 6.979 13.523 1.00 1.26 C ATOM 973 O TYR A 62 0.324 8.161 13.812 1.00 1.45 O ATOM 974 CB TYR A 62 -0.408 5.972 11.344 1.00 1.12 C ATOM 975 CG TYR A 62 -1.632 6.864 11.175 1.00 1.67 C ATOM 976 CD1 TYR A 62 -2.358 7.337 12.290 1.00 2.54 C ATOM 977 CD2 TYR A 62 -2.062 7.214 9.881 1.00 2.26 C ATOM 978 CE1 TYR A 62 -3.424 8.240 12.118 1.00 3.00 C ATOM 979 CE2 TYR A 62 -3.137 8.104 9.700 1.00 2.75 C ATOM 980 CZ TYR A 62 -3.804 8.647 10.820 1.00 2.79 C ATOM 981 OH TYR A 62 -4.813 9.538 10.644 1.00 3.43 O ATOM 0 H TYR A 62 1.684 4.774 11.549 1.00 0.94 H new ATOM 0 HA TYR A 62 1.056 7.546 11.572 1.00 1.05 H new ATOM 0 HB2 TYR A 62 -0.089 5.639 10.356 1.00 1.12 H new ATOM 0 HB3 TYR A 62 -0.707 5.083 11.899 1.00 1.12 H new ATOM 0 HD1 TYR A 62 -2.093 7.003 13.282 1.00 2.54 H new ATOM 0 HD2 TYR A 62 -1.562 6.796 9.020 1.00 2.26 H new ATOM 0 HE1 TYR A 62 -3.952 8.622 12.979 1.00 3.00 H new ATOM 0 HE2 TYR A 62 -3.452 8.372 8.703 1.00 2.75 H new ATOM 0 HH TYR A 62 -4.834 10.162 11.399 1.00 3.43 H new ATOM 991 N GLU A 63 0.485 6.008 14.448 1.00 1.00 N ATOM 992 CA GLU A 63 0.293 6.264 15.890 1.00 1.12 C ATOM 993 C GLU A 63 1.432 7.109 16.493 1.00 1.27 C ATOM 994 O GLU A 63 1.284 7.672 17.574 1.00 1.54 O ATOM 995 CB GLU A 63 0.197 4.945 16.675 1.00 1.24 C ATOM 996 CG GLU A 63 -1.008 4.042 16.363 1.00 1.41 C ATOM 997 CD GLU A 63 -0.826 2.733 17.113 1.00 1.94 C ATOM 998 OE1 GLU A 63 0.014 1.899 16.720 1.00 2.66 O ATOM 999 OE2 GLU A 63 -1.519 2.426 18.101 1.00 2.69 O ATOM 0 H GLU A 63 0.601 5.020 14.221 1.00 1.00 H new ATOM 0 HA GLU A 63 -0.639 6.822 15.976 1.00 1.12 H new ATOM 0 HB2 GLU A 63 1.107 4.373 16.492 1.00 1.24 H new ATOM 0 HB3 GLU A 63 0.178 5.183 17.739 1.00 1.24 H new ATOM 0 HG2 GLU A 63 -1.936 4.528 16.666 1.00 1.41 H new ATOM 0 HG3 GLU A 63 -1.079 3.859 15.291 1.00 1.41 H new ATOM 1006 N LYS A 64 2.583 7.200 15.817 1.00 0.95 N ATOM 1007 CA LYS A 64 3.746 7.983 16.244 1.00 0.96 C ATOM 1008 C LYS A 64 3.768 9.415 15.654 1.00 1.17 C ATOM 1009 O LYS A 64 4.747 10.139 15.844 1.00 1.31 O ATOM 1010 CB LYS A 64 4.999 7.135 15.927 1.00 1.00 C ATOM 1011 CG LYS A 64 6.261 7.554 16.700 1.00 1.49 C ATOM 1012 CD LYS A 64 7.308 6.427 16.717 1.00 2.01 C ATOM 1013 CE LYS A 64 8.486 6.832 17.618 1.00 2.80 C ATOM 1014 NZ LYS A 64 9.381 5.690 17.934 1.00 3.75 N ATOM 0 H LYS A 64 2.734 6.716 14.932 1.00 0.95 H new ATOM 0 HA LYS A 64 3.708 8.176 17.316 1.00 0.96 H new ATOM 0 HB2 LYS A 64 4.782 6.090 16.149 1.00 1.00 H new ATOM 0 HB3 LYS A 64 5.205 7.198 14.858 1.00 1.00 H new ATOM 0 HG2 LYS A 64 6.691 8.445 16.243 1.00 1.49 H new ATOM 0 HG3 LYS A 64 5.992 7.819 17.723 1.00 1.49 H new ATOM 0 HD2 LYS A 64 6.858 5.504 17.083 1.00 2.01 H new ATOM 0 HD3 LYS A 64 7.662 6.230 15.705 1.00 2.01 H new ATOM 0 HE2 LYS A 64 9.062 7.616 17.126 1.00 2.80 H new ATOM 0 HE3 LYS A 64 8.101 7.255 18.546 1.00 2.80 H new ATOM 0 HZ1 LYS A 64 10.177 6.023 18.515 1.00 3.75 H new ATOM 0 HZ2 LYS A 64 8.849 4.966 18.458 1.00 3.75 H new ATOM 0 HZ3 LYS A 64 9.746 5.280 17.051 1.00 3.75 H new ATOM 1028 N LEU A 65 2.709 9.848 14.949 1.00 1.20 N ATOM 1029 CA LEU A 65 2.577 11.189 14.359 1.00 1.28 C ATOM 1030 C LEU A 65 1.619 12.102 15.152 1.00 1.68 C ATOM 1031 O LEU A 65 0.604 11.630 15.659 1.00 1.91 O ATOM 1032 CB LEU A 65 2.038 11.075 12.922 1.00 1.31 C ATOM 1033 CG LEU A 65 2.968 10.402 11.897 1.00 1.13 C ATOM 1034 CD1 LEU A 65 2.300 10.463 10.519 1.00 1.47 C ATOM 1035 CD2 LEU A 65 4.366 11.036 11.822 1.00 1.69 C ATOM 0 H LEU A 65 1.898 9.256 14.769 1.00 1.20 H new ATOM 0 HA LEU A 65 3.572 11.634 14.380 1.00 1.28 H new ATOM 0 HB2 LEU A 65 1.101 10.519 12.951 1.00 1.31 H new ATOM 0 HB3 LEU A 65 1.803 12.077 12.564 1.00 1.31 H new ATOM 0 HG LEU A 65 3.119 9.373 12.223 1.00 1.13 H new ATOM 0 HD11 LEU A 65 2.947 9.990 9.780 1.00 1.47 H new ATOM 0 HD12 LEU A 65 1.345 9.939 10.554 1.00 1.47 H new ATOM 0 HD13 LEU A 65 2.133 11.504 10.241 1.00 1.47 H new ATOM 0 HD21 LEU A 65 4.965 10.509 11.079 1.00 1.69 H new ATOM 0 HD22 LEU A 65 4.275 12.084 11.538 1.00 1.69 H new ATOM 0 HD23 LEU A 65 4.851 10.964 12.796 1.00 1.69 H new ATOM 1047 N PRO A 66 1.854 13.432 15.168 1.00 1.50 N ATOM 1048 CA PRO A 66 0.836 14.396 15.555 1.00 1.80 C ATOM 1049 C PRO A 66 -0.273 14.457 14.490 1.00 1.81 C ATOM 1050 O PRO A 66 -0.019 14.151 13.316 1.00 1.44 O ATOM 1051 CB PRO A 66 1.564 15.738 15.680 1.00 1.98 C ATOM 1052 CG PRO A 66 2.697 15.615 14.664 1.00 1.73 C ATOM 1053 CD PRO A 66 3.048 14.126 14.704 1.00 1.56 C ATOM 0 HA PRO A 66 0.350 14.126 16.492 1.00 1.80 H new ATOM 0 HB2 PRO A 66 0.906 16.576 15.450 1.00 1.98 H new ATOM 0 HB3 PRO A 66 1.943 15.898 16.689 1.00 1.98 H new ATOM 0 HG2 PRO A 66 2.380 15.927 13.669 1.00 1.73 H new ATOM 0 HG3 PRO A 66 3.550 16.237 14.936 1.00 1.73 H new ATOM 0 HD2 PRO A 66 3.344 13.771 13.717 1.00 1.56 H new ATOM 0 HD3 PRO A 66 3.888 13.943 15.374 1.00 1.56 H new ATOM 1061 N PRO A 67 -1.483 14.929 14.849 1.00 1.89 N ATOM 1062 CA PRO A 67 -2.607 15.022 13.923 1.00 2.08 C ATOM 1063 C PRO A 67 -2.347 15.965 12.739 1.00 2.08 C ATOM 1064 O PRO A 67 -3.022 15.837 11.723 1.00 2.15 O ATOM 1065 CB PRO A 67 -3.805 15.470 14.768 1.00 2.59 C ATOM 1066 CG PRO A 67 -3.168 16.182 15.958 1.00 2.70 C ATOM 1067 CD PRO A 67 -1.882 15.389 16.173 1.00 2.31 C ATOM 0 HA PRO A 67 -2.788 14.058 13.448 1.00 2.08 H new ATOM 0 HB2 PRO A 67 -4.462 16.136 14.209 1.00 2.59 H new ATOM 0 HB3 PRO A 67 -4.409 14.621 15.087 1.00 2.59 H new ATOM 0 HG2 PRO A 67 -2.966 17.231 15.742 1.00 2.70 H new ATOM 0 HG3 PRO A 67 -3.812 16.156 16.837 1.00 2.70 H new ATOM 0 HD2 PRO A 67 -1.108 16.011 16.622 1.00 2.31 H new ATOM 0 HD3 PRO A 67 -2.047 14.549 16.847 1.00 2.31 H new ATOM 1075 N LYS A 68 -1.347 16.858 12.802 1.00 1.73 N ATOM 1076 CA LYS A 68 -1.008 17.707 11.649 1.00 1.66 C ATOM 1077 C LYS A 68 -0.107 17.004 10.622 1.00 1.67 C ATOM 1078 O LYS A 68 -0.171 17.309 9.435 1.00 1.75 O ATOM 1079 CB LYS A 68 -0.409 19.052 12.123 1.00 1.79 C ATOM 1080 CG LYS A 68 -1.351 20.231 11.821 1.00 2.39 C ATOM 1081 CD LYS A 68 -1.512 20.498 10.314 1.00 3.02 C ATOM 1082 CE LYS A 68 -2.658 21.486 10.057 1.00 3.51 C ATOM 1083 NZ LYS A 68 -3.081 21.439 8.638 1.00 4.24 N ATOM 0 H LYS A 68 -0.766 17.010 13.627 1.00 1.73 H new ATOM 0 HA LYS A 68 -1.939 17.914 11.121 1.00 1.66 H new ATOM 0 HB2 LYS A 68 -0.214 19.007 13.195 1.00 1.79 H new ATOM 0 HB3 LYS A 68 0.550 19.217 11.632 1.00 1.79 H new ATOM 0 HG2 LYS A 68 -2.330 20.028 12.255 1.00 2.39 H new ATOM 0 HG3 LYS A 68 -0.967 21.129 12.305 1.00 2.39 H new ATOM 0 HD2 LYS A 68 -0.582 20.898 9.909 1.00 3.02 H new ATOM 0 HD3 LYS A 68 -1.709 19.561 9.793 1.00 3.02 H new ATOM 0 HE2 LYS A 68 -3.503 21.246 10.702 1.00 3.51 H new ATOM 0 HE3 LYS A 68 -2.338 22.496 10.313 1.00 3.51 H new ATOM 0 HZ1 LYS A 68 -3.593 22.312 8.399 1.00 4.24 H new ATOM 0 HZ2 LYS A 68 -2.243 21.352 8.029 1.00 4.24 H new ATOM 0 HZ3 LYS A 68 -3.705 20.620 8.489 1.00 4.24 H new ATOM 1097 N ALA A 69 0.722 16.046 11.049 1.00 1.20 N ATOM 1098 CA ALA A 69 1.405 15.126 10.140 1.00 1.06 C ATOM 1099 C ALA A 69 0.479 14.023 9.598 1.00 1.16 C ATOM 1100 O ALA A 69 0.678 13.605 8.461 1.00 1.30 O ATOM 1101 CB ALA A 69 2.639 14.559 10.846 1.00 1.07 C ATOM 0 H ALA A 69 0.937 15.888 12.034 1.00 1.20 H new ATOM 0 HA ALA A 69 1.722 15.680 9.257 1.00 1.06 H new ATOM 0 HB1 ALA A 69 3.157 13.871 10.177 1.00 1.07 H new ATOM 0 HB2 ALA A 69 3.309 15.374 11.118 1.00 1.07 H new ATOM 0 HB3 ALA A 69 2.331 14.027 11.746 1.00 1.07 H new ATOM 1107 N GLN A 70 -0.539 13.574 10.353 1.00 1.07 N ATOM 1108 CA GLN A 70 -1.385 12.445 9.943 1.00 1.17 C ATOM 1109 C GLN A 70 -2.034 12.661 8.563 1.00 1.65 C ATOM 1110 O GLN A 70 -2.124 11.718 7.786 1.00 1.96 O ATOM 1111 CB GLN A 70 -2.422 12.135 11.043 1.00 1.36 C ATOM 1112 CG GLN A 70 -3.804 12.762 10.780 1.00 2.74 C ATOM 1113 CD GLN A 70 -4.782 12.621 11.934 1.00 3.11 C ATOM 1114 OE1 GLN A 70 -4.910 11.582 12.560 1.00 2.70 O ATOM 1115 NE2 GLN A 70 -5.511 13.663 12.265 1.00 4.42 N ATOM 0 H GLN A 70 -0.795 13.979 11.253 1.00 1.07 H new ATOM 0 HA GLN A 70 -0.745 11.570 9.824 1.00 1.17 H new ATOM 0 HB2 GLN A 70 -2.533 11.054 11.132 1.00 1.36 H new ATOM 0 HB3 GLN A 70 -2.044 12.496 11.999 1.00 1.36 H new ATOM 0 HG2 GLN A 70 -3.673 13.821 10.556 1.00 2.74 H new ATOM 0 HG3 GLN A 70 -4.237 12.300 9.893 1.00 2.74 H new ATOM 0 HE21 GLN A 70 -5.414 14.538 11.750 1.00 4.42 H new ATOM 0 HE22 GLN A 70 -6.174 13.597 13.037 1.00 4.42 H new ATOM 1124 N GLU A 71 -2.401 13.912 8.234 1.00 1.79 N ATOM 1125 CA GLU A 71 -2.993 14.351 6.957 1.00 2.21 C ATOM 1126 C GLU A 71 -2.256 13.794 5.747 1.00 2.47 C ATOM 1127 O GLU A 71 -2.833 13.578 4.682 1.00 2.99 O ATOM 1128 CB GLU A 71 -2.869 15.880 6.804 1.00 2.58 C ATOM 1129 CG GLU A 71 -3.169 16.677 8.064 1.00 2.29 C ATOM 1130 CD GLU A 71 -3.086 18.183 7.807 1.00 2.78 C ATOM 1131 OE1 GLU A 71 -2.137 18.658 7.137 1.00 3.94 O ATOM 1132 OE2 GLU A 71 -3.939 18.913 8.349 1.00 2.89 O ATOM 0 H GLU A 71 -2.286 14.687 8.887 1.00 1.79 H new ATOM 0 HA GLU A 71 -4.025 14.001 6.987 1.00 2.21 H new ATOM 0 HB2 GLU A 71 -1.857 16.116 6.475 1.00 2.58 H new ATOM 0 HB3 GLU A 71 -3.546 16.207 6.015 1.00 2.58 H new ATOM 0 HG2 GLU A 71 -4.165 16.423 8.428 1.00 2.29 H new ATOM 0 HG3 GLU A 71 -2.463 16.401 8.847 1.00 2.29 H new ATOM 1139 N ARG A 72 -0.941 13.652 5.917 1.00 1.99 N ATOM 1140 CA ARG A 72 -0.013 13.300 4.879 1.00 2.19 C ATOM 1141 C ARG A 72 0.140 11.793 4.745 1.00 2.27 C ATOM 1142 O ARG A 72 0.566 11.396 3.678 1.00 2.55 O ATOM 1143 CB ARG A 72 1.315 14.031 5.110 1.00 2.30 C ATOM 1144 CG ARG A 72 1.102 15.551 5.032 1.00 1.77 C ATOM 1145 CD ARG A 72 1.184 16.273 6.378 1.00 1.32 C ATOM 1146 NE ARG A 72 0.515 17.579 6.318 1.00 1.95 N ATOM 1147 CZ ARG A 72 0.774 18.568 5.473 1.00 2.46 C ATOM 1148 NH1 ARG A 72 1.863 18.646 4.731 1.00 2.97 N ATOM 1149 NH2 ARG A 72 -0.140 19.506 5.376 1.00 3.59 N ATOM 0 H ARG A 72 -0.491 13.788 6.822 1.00 1.99 H new ATOM 0 HA ARG A 72 -0.406 13.630 3.917 1.00 2.19 H new ATOM 0 HB2 ARG A 72 1.722 13.763 6.085 1.00 2.30 H new ATOM 0 HB3 ARG A 72 2.045 13.720 4.363 1.00 2.30 H new ATOM 0 HG2 ARG A 72 1.848 15.976 4.360 1.00 1.77 H new ATOM 0 HG3 ARG A 72 0.126 15.746 4.588 1.00 1.77 H new ATOM 0 HD2 ARG A 72 0.723 15.660 7.152 1.00 1.32 H new ATOM 0 HD3 ARG A 72 2.228 16.408 6.659 1.00 1.32 H new ATOM 0 HE ARG A 72 -0.227 17.743 6.998 1.00 1.95 H new ATOM 0 HH11 ARG A 72 2.572 17.915 4.787 1.00 2.97 H new ATOM 0 HH12 ARG A 72 1.996 19.438 4.102 1.00 2.97 H new ATOM 0 HH21 ARG A 72 -0.992 19.448 5.934 1.00 3.59 H new ATOM 0 HH22 ARG A 72 0.002 20.293 4.743 1.00 3.59 H new ATOM 1163 N VAL A 73 -0.224 10.951 5.718 1.00 1.86 N ATOM 1164 CA VAL A 73 -0.171 9.482 5.576 1.00 1.67 C ATOM 1165 C VAL A 73 -1.567 8.927 5.280 1.00 1.58 C ATOM 1166 O VAL A 73 -2.511 9.130 6.041 1.00 1.73 O ATOM 1167 CB VAL A 73 0.489 8.770 6.787 1.00 1.70 C ATOM 1168 CG1 VAL A 73 -0.020 9.266 8.147 1.00 1.76 C ATOM 1169 CG2 VAL A 73 0.372 7.236 6.703 1.00 3.76 C ATOM 0 H VAL A 73 -0.564 11.263 6.628 1.00 1.86 H new ATOM 0 HA VAL A 73 0.478 9.266 4.727 1.00 1.67 H new ATOM 0 HB VAL A 73 1.543 9.040 6.722 1.00 1.70 H new ATOM 0 HG11 VAL A 73 0.486 8.723 8.945 1.00 1.76 H new ATOM 0 HG12 VAL A 73 0.186 10.332 8.246 1.00 1.76 H new ATOM 0 HG13 VAL A 73 -1.094 9.096 8.217 1.00 1.76 H new ATOM 0 HG21 VAL A 73 0.849 6.786 7.574 1.00 3.76 H new ATOM 0 HG22 VAL A 73 -0.680 6.952 6.679 1.00 3.76 H new ATOM 0 HG23 VAL A 73 0.864 6.883 5.797 1.00 3.76 H new ATOM 1179 N GLN A 74 -1.688 8.206 4.167 1.00 1.45 N ATOM 1180 CA GLN A 74 -2.853 7.395 3.807 1.00 1.41 C ATOM 1181 C GLN A 74 -2.351 6.005 3.386 1.00 1.53 C ATOM 1182 O GLN A 74 -1.409 5.913 2.604 1.00 1.80 O ATOM 1183 CB GLN A 74 -3.632 8.072 2.663 1.00 1.73 C ATOM 1184 CG GLN A 74 -4.345 9.373 3.080 1.00 2.31 C ATOM 1185 CD GLN A 74 -5.513 9.115 4.034 1.00 1.95 C ATOM 1186 OE1 GLN A 74 -6.567 8.642 3.642 1.00 2.47 O ATOM 1187 NE2 GLN A 74 -5.351 9.342 5.323 1.00 3.09 N ATOM 0 H GLN A 74 -0.950 8.168 3.464 1.00 1.45 H new ATOM 0 HA GLN A 74 -3.531 7.297 4.655 1.00 1.41 H new ATOM 0 HB2 GLN A 74 -2.943 8.292 1.847 1.00 1.73 H new ATOM 0 HB3 GLN A 74 -4.372 7.372 2.276 1.00 1.73 H new ATOM 0 HG2 GLN A 74 -3.628 10.040 3.559 1.00 2.31 H new ATOM 0 HG3 GLN A 74 -4.712 9.885 2.190 1.00 2.31 H new ATOM 0 HE21 GLN A 74 -4.475 9.737 5.665 1.00 3.09 H new ATOM 0 HE22 GLN A 74 -6.102 9.122 5.978 1.00 3.09 H new ATOM 1196 N VAL A 75 -2.949 4.930 3.906 1.00 1.08 N ATOM 1197 CA VAL A 75 -2.476 3.553 3.679 1.00 0.93 C ATOM 1198 C VAL A 75 -3.580 2.749 3.007 1.00 0.94 C ATOM 1199 O VAL A 75 -4.662 2.570 3.569 1.00 1.18 O ATOM 1200 CB VAL A 75 -2.033 2.864 4.986 1.00 0.85 C ATOM 1201 CG1 VAL A 75 -1.545 1.422 4.744 1.00 0.85 C ATOM 1202 CG2 VAL A 75 -0.903 3.656 5.672 1.00 1.24 C ATOM 0 H VAL A 75 -3.777 4.985 4.499 1.00 1.08 H new ATOM 0 HA VAL A 75 -1.600 3.600 3.033 1.00 0.93 H new ATOM 0 HB VAL A 75 -2.912 2.835 5.630 1.00 0.85 H new ATOM 0 HG11 VAL A 75 -1.243 0.976 5.692 1.00 0.85 H new ATOM 0 HG12 VAL A 75 -2.352 0.834 4.307 1.00 0.85 H new ATOM 0 HG13 VAL A 75 -0.695 1.435 4.062 1.00 0.85 H new ATOM 0 HG21 VAL A 75 -0.609 3.149 6.591 1.00 1.24 H new ATOM 0 HG22 VAL A 75 -0.045 3.720 5.003 1.00 1.24 H new ATOM 0 HG23 VAL A 75 -1.254 4.660 5.908 1.00 1.24 H new ATOM 1212 N ILE A 76 -3.294 2.296 1.788 1.00 0.79 N ATOM 1213 CA ILE A 76 -4.214 1.537 0.942 1.00 0.74 C ATOM 1214 C ILE A 76 -3.606 0.155 0.681 1.00 0.89 C ATOM 1215 O ILE A 76 -2.523 0.023 0.100 1.00 1.18 O ATOM 1216 CB ILE A 76 -4.502 2.315 -0.370 1.00 0.76 C ATOM 1217 CG1 ILE A 76 -5.510 3.485 -0.223 1.00 1.08 C ATOM 1218 CG2 ILE A 76 -5.100 1.392 -1.448 1.00 0.94 C ATOM 1219 CD1 ILE A 76 -5.126 4.623 0.726 1.00 1.51 C ATOM 0 H ILE A 76 -2.387 2.452 1.348 1.00 0.79 H new ATOM 0 HA ILE A 76 -5.174 1.402 1.441 1.00 0.74 H new ATOM 0 HB ILE A 76 -3.525 2.712 -0.645 1.00 0.76 H new ATOM 0 HG12 ILE A 76 -5.679 3.912 -1.212 1.00 1.08 H new ATOM 0 HG13 ILE A 76 -6.461 3.072 0.112 1.00 1.08 H new ATOM 0 HG21 ILE A 76 -5.290 1.967 -2.354 1.00 0.94 H new ATOM 0 HG22 ILE A 76 -4.398 0.588 -1.669 1.00 0.94 H new ATOM 0 HG23 ILE A 76 -6.036 0.967 -1.085 1.00 0.94 H new ATOM 0 HD11 ILE A 76 -5.917 5.373 0.734 1.00 1.51 H new ATOM 0 HD12 ILE A 76 -4.991 4.227 1.733 1.00 1.51 H new ATOM 0 HD13 ILE A 76 -4.196 5.081 0.388 1.00 1.51 H new ATOM 1231 N PHE A 77 -4.368 -0.883 1.020 1.00 0.74 N ATOM 1232 CA PHE A 77 -4.086 -2.244 0.591 1.00 0.77 C ATOM 1233 C PHE A 77 -4.912 -2.504 -0.669 1.00 1.42 C ATOM 1234 O PHE A 77 -6.119 -2.264 -0.675 1.00 1.78 O ATOM 1235 CB PHE A 77 -4.437 -3.222 1.726 1.00 0.91 C ATOM 1236 CG PHE A 77 -4.229 -4.682 1.372 1.00 1.12 C ATOM 1237 CD1 PHE A 77 -2.970 -5.287 1.558 1.00 2.13 C ATOM 1238 CD2 PHE A 77 -5.296 -5.441 0.851 1.00 1.89 C ATOM 1239 CE1 PHE A 77 -2.786 -6.644 1.243 1.00 2.04 C ATOM 1240 CE2 PHE A 77 -5.110 -6.799 0.539 1.00 2.04 C ATOM 1241 CZ PHE A 77 -3.860 -7.404 0.746 1.00 1.38 C ATOM 0 H PHE A 77 -5.201 -0.799 1.603 1.00 0.74 H new ATOM 0 HA PHE A 77 -3.030 -2.387 0.362 1.00 0.77 H new ATOM 0 HB2 PHE A 77 -3.831 -2.981 2.599 1.00 0.91 H new ATOM 0 HB3 PHE A 77 -5.479 -3.073 2.010 1.00 0.91 H new ATOM 0 HD1 PHE A 77 -2.145 -4.707 1.943 1.00 2.13 H new ATOM 0 HD2 PHE A 77 -6.259 -4.978 0.691 1.00 1.89 H new ATOM 0 HE1 PHE A 77 -1.819 -7.104 1.383 1.00 2.04 H new ATOM 0 HE2 PHE A 77 -5.930 -7.378 0.140 1.00 2.04 H new ATOM 0 HZ PHE A 77 -3.723 -8.452 0.524 1.00 1.38 H new ATOM 1251 N VAL A 78 -4.261 -2.981 -1.727 1.00 0.67 N ATOM 1252 CA VAL A 78 -4.900 -3.370 -2.991 1.00 0.64 C ATOM 1253 C VAL A 78 -4.846 -4.893 -3.101 1.00 0.90 C ATOM 1254 O VAL A 78 -3.776 -5.508 -3.047 1.00 1.17 O ATOM 1255 CB VAL A 78 -4.259 -2.692 -4.224 1.00 0.68 C ATOM 1256 CG1 VAL A 78 -4.981 -3.079 -5.527 1.00 1.07 C ATOM 1257 CG2 VAL A 78 -4.291 -1.160 -4.088 1.00 1.01 C ATOM 0 H VAL A 78 -3.250 -3.113 -1.734 1.00 0.67 H new ATOM 0 HA VAL A 78 -5.935 -3.027 -2.981 1.00 0.64 H new ATOM 0 HB VAL A 78 -3.227 -3.041 -4.269 1.00 0.68 H new ATOM 0 HG11 VAL A 78 -4.501 -2.582 -6.370 1.00 1.07 H new ATOM 0 HG12 VAL A 78 -4.929 -4.159 -5.665 1.00 1.07 H new ATOM 0 HG13 VAL A 78 -6.025 -2.770 -5.470 1.00 1.07 H new ATOM 0 HG21 VAL A 78 -3.834 -0.707 -4.968 1.00 1.01 H new ATOM 0 HG22 VAL A 78 -5.324 -0.824 -4.002 1.00 1.01 H new ATOM 0 HG23 VAL A 78 -3.737 -0.862 -3.198 1.00 1.01 H new ATOM 1267 N SER A 79 -6.021 -5.499 -3.239 1.00 0.66 N ATOM 1268 CA SER A 79 -6.163 -6.935 -3.476 1.00 0.77 C ATOM 1269 C SER A 79 -5.735 -7.345 -4.891 1.00 0.93 C ATOM 1270 O SER A 79 -6.050 -6.664 -5.863 1.00 1.27 O ATOM 1271 CB SER A 79 -7.613 -7.349 -3.277 1.00 1.05 C ATOM 1272 OG SER A 79 -7.934 -7.362 -1.904 1.00 2.10 O ATOM 0 H SER A 79 -6.911 -5.004 -3.189 1.00 0.66 H new ATOM 0 HA SER A 79 -5.509 -7.436 -2.763 1.00 0.77 H new ATOM 0 HB2 SER A 79 -8.271 -6.659 -3.805 1.00 1.05 H new ATOM 0 HB3 SER A 79 -7.778 -8.338 -3.705 1.00 1.05 H new ATOM 0 HG SER A 79 -7.505 -8.131 -1.475 1.00 2.10 H new ATOM 1278 N VAL A 80 -5.053 -8.487 -4.995 1.00 0.83 N ATOM 1279 CA VAL A 80 -4.514 -9.046 -6.247 1.00 0.92 C ATOM 1280 C VAL A 80 -5.552 -9.917 -6.975 1.00 1.58 C ATOM 1281 O VAL A 80 -5.703 -9.790 -8.188 1.00 2.05 O ATOM 1282 CB VAL A 80 -3.224 -9.849 -5.946 1.00 1.16 C ATOM 1283 CG1 VAL A 80 -2.734 -10.700 -7.128 1.00 2.87 C ATOM 1284 CG2 VAL A 80 -2.087 -8.880 -5.566 1.00 1.57 C ATOM 0 H VAL A 80 -4.851 -9.072 -4.184 1.00 0.83 H new ATOM 0 HA VAL A 80 -4.271 -8.220 -6.915 1.00 0.92 H new ATOM 0 HB VAL A 80 -3.479 -10.525 -5.129 1.00 1.16 H new ATOM 0 HG11 VAL A 80 -1.827 -11.233 -6.842 1.00 2.87 H new ATOM 0 HG12 VAL A 80 -3.506 -11.419 -7.403 1.00 2.87 H new ATOM 0 HG13 VAL A 80 -2.521 -10.053 -7.979 1.00 2.87 H new ATOM 0 HG21 VAL A 80 -1.181 -9.448 -5.355 1.00 1.57 H new ATOM 0 HG22 VAL A 80 -1.901 -8.195 -6.393 1.00 1.57 H new ATOM 0 HG23 VAL A 80 -2.374 -8.312 -4.681 1.00 1.57 H new ATOM 1294 N ASP A 81 -6.268 -10.780 -6.240 1.00 1.02 N ATOM 1295 CA ASP A 81 -7.233 -11.742 -6.785 1.00 1.18 C ATOM 1296 C ASP A 81 -8.672 -11.376 -6.367 1.00 1.16 C ATOM 1297 O ASP A 81 -9.235 -12.018 -5.475 1.00 1.42 O ATOM 1298 CB ASP A 81 -6.900 -13.178 -6.326 1.00 1.50 C ATOM 1299 CG ASP A 81 -5.502 -13.648 -6.714 1.00 2.22 C ATOM 1300 OD1 ASP A 81 -5.368 -14.202 -7.828 1.00 3.34 O ATOM 1301 OD2 ASP A 81 -4.590 -13.472 -5.879 1.00 3.21 O ATOM 0 H ASP A 81 -6.189 -10.828 -5.224 1.00 1.02 H new ATOM 0 HA ASP A 81 -7.164 -11.699 -7.872 1.00 1.18 H new ATOM 0 HB2 ASP A 81 -7.003 -13.234 -5.242 1.00 1.50 H new ATOM 0 HB3 ASP A 81 -7.633 -13.863 -6.752 1.00 1.50 H new ATOM 1306 N PRO A 82 -9.331 -10.396 -7.017 1.00 1.08 N ATOM 1307 CA PRO A 82 -10.739 -10.101 -6.751 1.00 1.21 C ATOM 1308 C PRO A 82 -11.663 -11.283 -7.087 1.00 1.35 C ATOM 1309 O PRO A 82 -12.789 -11.321 -6.600 1.00 1.67 O ATOM 1310 CB PRO A 82 -11.066 -8.873 -7.594 1.00 1.70 C ATOM 1311 CG PRO A 82 -10.083 -8.969 -8.755 1.00 1.84 C ATOM 1312 CD PRO A 82 -8.838 -9.565 -8.104 1.00 1.47 C ATOM 0 HA PRO A 82 -10.903 -9.917 -5.689 1.00 1.21 H new ATOM 0 HB2 PRO A 82 -12.099 -8.887 -7.940 1.00 1.70 H new ATOM 0 HB3 PRO A 82 -10.932 -7.951 -7.029 1.00 1.70 H new ATOM 0 HG2 PRO A 82 -10.464 -9.605 -9.554 1.00 1.84 H new ATOM 0 HG3 PRO A 82 -9.880 -7.992 -9.194 1.00 1.84 H new ATOM 0 HD2 PRO A 82 -8.264 -10.154 -8.820 1.00 1.47 H new ATOM 0 HD3 PRO A 82 -8.177 -8.783 -7.732 1.00 1.47 H new ATOM 1320 N GLU A 83 -11.158 -12.282 -7.830 1.00 1.18 N ATOM 1321 CA GLU A 83 -11.722 -13.633 -7.967 1.00 1.30 C ATOM 1322 C GLU A 83 -12.128 -14.279 -6.627 1.00 1.46 C ATOM 1323 O GLU A 83 -12.984 -15.164 -6.627 1.00 1.95 O ATOM 1324 CB GLU A 83 -10.670 -14.544 -8.626 1.00 1.36 C ATOM 1325 CG GLU A 83 -10.353 -14.203 -10.090 1.00 2.10 C ATOM 1326 CD GLU A 83 -9.134 -14.986 -10.578 1.00 2.38 C ATOM 1327 OE1 GLU A 83 -9.015 -16.195 -10.275 1.00 2.43 O ATOM 1328 OE2 GLU A 83 -8.237 -14.367 -11.182 1.00 3.34 O ATOM 0 H GLU A 83 -10.305 -12.163 -8.377 1.00 1.18 H new ATOM 0 HA GLU A 83 -12.626 -13.530 -8.568 1.00 1.30 H new ATOM 0 HB2 GLU A 83 -9.748 -14.490 -8.047 1.00 1.36 H new ATOM 0 HB3 GLU A 83 -11.019 -15.575 -8.575 1.00 1.36 H new ATOM 0 HG2 GLU A 83 -11.214 -14.434 -10.717 1.00 2.10 H new ATOM 0 HG3 GLU A 83 -10.167 -13.133 -10.187 1.00 2.10 H new ATOM 1335 N ARG A 84 -11.532 -13.862 -5.494 1.00 1.19 N ATOM 1336 CA ARG A 84 -11.862 -14.358 -4.150 1.00 1.43 C ATOM 1337 C ARG A 84 -11.390 -13.499 -2.960 1.00 1.38 C ATOM 1338 O ARG A 84 -11.604 -13.904 -1.820 1.00 1.49 O ATOM 1339 CB ARG A 84 -11.434 -15.839 -4.026 1.00 2.06 C ATOM 1340 CG ARG A 84 -12.663 -16.738 -3.806 1.00 3.17 C ATOM 1341 CD ARG A 84 -12.429 -18.202 -4.202 1.00 3.66 C ATOM 1342 NE ARG A 84 -11.411 -18.899 -3.395 1.00 2.98 N ATOM 1343 CZ ARG A 84 -11.498 -19.239 -2.113 1.00 3.58 C ATOM 1344 NH1 ARG A 84 -12.476 -18.819 -1.335 1.00 4.63 N ATOM 1345 NH2 ARG A 84 -10.580 -20.029 -1.598 1.00 4.38 N ATOM 0 H ARG A 84 -10.794 -13.158 -5.490 1.00 1.19 H new ATOM 0 HA ARG A 84 -12.946 -14.273 -4.067 1.00 1.43 H new ATOM 0 HB2 ARG A 84 -10.907 -16.148 -4.928 1.00 2.06 H new ATOM 0 HB3 ARG A 84 -10.738 -15.954 -3.195 1.00 2.06 H new ATOM 0 HG2 ARG A 84 -12.951 -16.696 -2.756 1.00 3.17 H new ATOM 0 HG3 ARG A 84 -13.500 -16.343 -4.382 1.00 3.17 H new ATOM 0 HD2 ARG A 84 -13.372 -18.742 -4.120 1.00 3.66 H new ATOM 0 HD3 ARG A 84 -12.131 -18.238 -5.250 1.00 3.66 H new ATOM 0 HE ARG A 84 -10.545 -19.148 -3.873 1.00 2.98 H new ATOM 0 HH11 ARG A 84 -13.202 -18.210 -1.712 1.00 4.63 H new ATOM 0 HH12 ARG A 84 -12.507 -19.103 -0.356 1.00 4.63 H new ATOM 0 HH21 ARG A 84 -9.816 -20.371 -2.181 1.00 4.38 H new ATOM 0 HH22 ARG A 84 -10.632 -20.299 -0.616 1.00 4.38 H new ATOM 1359 N ASP A 85 -10.817 -12.311 -3.187 1.00 0.95 N ATOM 1360 CA ASP A 85 -10.347 -11.355 -2.160 1.00 0.83 C ATOM 1361 C ASP A 85 -11.257 -10.091 -2.079 1.00 0.96 C ATOM 1362 O ASP A 85 -10.785 -8.986 -2.342 1.00 1.25 O ATOM 1363 CB ASP A 85 -8.865 -10.996 -2.485 1.00 1.12 C ATOM 1364 CG ASP A 85 -7.988 -10.725 -1.263 1.00 1.28 C ATOM 1365 OD1 ASP A 85 -8.044 -11.531 -0.315 1.00 1.86 O ATOM 1366 OD2 ASP A 85 -7.181 -9.768 -1.285 1.00 2.25 O ATOM 0 H ASP A 85 -10.658 -11.968 -4.134 1.00 0.95 H new ATOM 0 HA ASP A 85 -10.404 -11.813 -1.173 1.00 0.83 H new ATOM 0 HB2 ASP A 85 -8.425 -11.813 -3.056 1.00 1.12 H new ATOM 0 HB3 ASP A 85 -8.852 -10.115 -3.127 1.00 1.12 H new ATOM 1371 N PRO A 86 -12.579 -10.194 -1.800 1.00 0.61 N ATOM 1372 CA PRO A 86 -13.535 -9.092 -1.991 1.00 0.75 C ATOM 1373 C PRO A 86 -13.306 -7.917 -1.020 1.00 0.91 C ATOM 1374 O PRO A 86 -12.779 -8.134 0.075 1.00 0.76 O ATOM 1375 CB PRO A 86 -14.924 -9.714 -1.803 1.00 0.79 C ATOM 1376 CG PRO A 86 -14.652 -10.883 -0.864 1.00 0.76 C ATOM 1377 CD PRO A 86 -13.284 -11.373 -1.327 1.00 0.69 C ATOM 0 HA PRO A 86 -13.414 -8.652 -2.981 1.00 0.75 H new ATOM 0 HB2 PRO A 86 -15.629 -9.004 -1.370 1.00 0.79 H new ATOM 0 HB3 PRO A 86 -15.348 -10.047 -2.750 1.00 0.79 H new ATOM 0 HG2 PRO A 86 -14.638 -10.569 0.180 1.00 0.76 H new ATOM 0 HG3 PRO A 86 -15.412 -11.659 -0.953 1.00 0.76 H new ATOM 0 HD2 PRO A 86 -12.743 -11.850 -0.510 1.00 0.69 H new ATOM 0 HD3 PRO A 86 -13.382 -12.114 -2.120 1.00 0.69 H new ATOM 1385 N PRO A 87 -13.736 -6.687 -1.378 1.00 0.58 N ATOM 1386 CA PRO A 87 -13.291 -5.449 -0.731 1.00 0.76 C ATOM 1387 C PRO A 87 -13.589 -5.378 0.764 1.00 1.06 C ATOM 1388 O PRO A 87 -12.753 -4.875 1.503 1.00 0.94 O ATOM 1389 CB PRO A 87 -13.963 -4.299 -1.490 1.00 0.85 C ATOM 1390 CG PRO A 87 -15.090 -4.957 -2.281 1.00 0.79 C ATOM 1391 CD PRO A 87 -14.561 -6.365 -2.536 1.00 0.63 C ATOM 0 HA PRO A 87 -12.204 -5.394 -0.781 1.00 0.76 H new ATOM 0 HB2 PRO A 87 -14.349 -3.545 -0.804 1.00 0.85 H new ATOM 0 HB3 PRO A 87 -13.257 -3.796 -2.151 1.00 0.85 H new ATOM 0 HG2 PRO A 87 -16.022 -4.973 -1.716 1.00 0.79 H new ATOM 0 HG3 PRO A 87 -15.291 -4.427 -3.212 1.00 0.79 H new ATOM 0 HD2 PRO A 87 -15.379 -7.077 -2.646 1.00 0.63 H new ATOM 0 HD3 PRO A 87 -13.978 -6.405 -3.456 1.00 0.63 H new ATOM 1399 N GLU A 88 -14.720 -5.929 1.219 1.00 0.65 N ATOM 1400 CA GLU A 88 -15.004 -6.068 2.650 1.00 0.79 C ATOM 1401 C GLU A 88 -13.914 -6.879 3.368 1.00 1.17 C ATOM 1402 O GLU A 88 -13.392 -6.429 4.377 1.00 1.46 O ATOM 1403 CB GLU A 88 -16.382 -6.735 2.843 1.00 1.01 C ATOM 1404 CG GLU A 88 -17.487 -5.746 3.238 1.00 1.51 C ATOM 1405 CD GLU A 88 -17.319 -5.232 4.669 1.00 3.09 C ATOM 1406 OE1 GLU A 88 -17.137 -6.072 5.578 1.00 3.78 O ATOM 1407 OE2 GLU A 88 -17.371 -3.997 4.872 1.00 4.40 O ATOM 0 H GLU A 88 -15.457 -6.288 0.612 1.00 0.65 H new ATOM 0 HA GLU A 88 -15.016 -5.072 3.092 1.00 0.79 H new ATOM 0 HB2 GLU A 88 -16.667 -7.237 1.918 1.00 1.01 H new ATOM 0 HB3 GLU A 88 -16.301 -7.504 3.611 1.00 1.01 H new ATOM 0 HG2 GLU A 88 -17.481 -4.902 2.548 1.00 1.51 H new ATOM 0 HG3 GLU A 88 -18.458 -6.231 3.140 1.00 1.51 H new ATOM 1414 N VAL A 89 -13.537 -8.053 2.849 1.00 0.70 N ATOM 1415 CA VAL A 89 -12.642 -9.001 3.543 1.00 0.73 C ATOM 1416 C VAL A 89 -11.210 -8.450 3.587 1.00 0.95 C ATOM 1417 O VAL A 89 -10.552 -8.519 4.627 1.00 0.93 O ATOM 1418 CB VAL A 89 -12.679 -10.398 2.879 1.00 0.71 C ATOM 1419 CG1 VAL A 89 -11.770 -11.422 3.581 1.00 0.91 C ATOM 1420 CG2 VAL A 89 -14.111 -10.971 2.903 1.00 0.93 C ATOM 0 H VAL A 89 -13.843 -8.379 1.932 1.00 0.70 H new ATOM 0 HA VAL A 89 -12.998 -9.116 4.567 1.00 0.73 H new ATOM 0 HB VAL A 89 -12.324 -10.246 1.860 1.00 0.71 H new ATOM 0 HG11 VAL A 89 -11.840 -12.382 3.069 1.00 0.91 H new ATOM 0 HG12 VAL A 89 -10.738 -11.071 3.555 1.00 0.91 H new ATOM 0 HG13 VAL A 89 -12.087 -11.540 4.617 1.00 0.91 H new ATOM 0 HG21 VAL A 89 -14.118 -11.954 2.432 1.00 0.93 H new ATOM 0 HG22 VAL A 89 -14.450 -11.061 3.935 1.00 0.93 H new ATOM 0 HG23 VAL A 89 -14.779 -10.303 2.359 1.00 0.93 H new ATOM 1430 N ALA A 90 -10.759 -7.856 2.475 1.00 0.77 N ATOM 1431 CA ALA A 90 -9.480 -7.161 2.385 1.00 0.86 C ATOM 1432 C ALA A 90 -9.403 -5.913 3.288 1.00 1.01 C ATOM 1433 O ALA A 90 -8.346 -5.673 3.875 1.00 1.19 O ATOM 1434 CB ALA A 90 -9.228 -6.858 0.904 1.00 0.95 C ATOM 0 H ALA A 90 -11.285 -7.848 1.601 1.00 0.77 H new ATOM 0 HA ALA A 90 -8.683 -7.798 2.769 1.00 0.86 H new ATOM 0 HB1 ALA A 90 -8.277 -6.337 0.796 1.00 0.95 H new ATOM 0 HB2 ALA A 90 -9.196 -7.791 0.342 1.00 0.95 H new ATOM 0 HB3 ALA A 90 -10.032 -6.230 0.519 1.00 0.95 H new ATOM 1440 N ASP A 91 -10.504 -5.160 3.449 1.00 0.86 N ATOM 1441 CA ASP A 91 -10.569 -4.016 4.365 1.00 0.95 C ATOM 1442 C ASP A 91 -10.577 -4.449 5.831 1.00 1.34 C ATOM 1443 O ASP A 91 -9.693 -4.014 6.563 1.00 1.62 O ATOM 1444 CB ASP A 91 -11.768 -3.104 4.060 1.00 0.96 C ATOM 1445 CG ASP A 91 -11.757 -1.860 4.962 1.00 1.19 C ATOM 1446 OD1 ASP A 91 -11.087 -0.859 4.606 1.00 1.94 O ATOM 1447 OD2 ASP A 91 -12.400 -1.864 6.039 1.00 1.89 O ATOM 0 H ASP A 91 -11.374 -5.330 2.945 1.00 0.86 H new ATOM 0 HA ASP A 91 -9.659 -3.439 4.198 1.00 0.95 H new ATOM 0 HB2 ASP A 91 -11.741 -2.799 3.014 1.00 0.96 H new ATOM 0 HB3 ASP A 91 -12.696 -3.656 4.207 1.00 0.96 H new ATOM 1452 N ARG A 92 -11.516 -5.315 6.264 1.00 0.84 N ATOM 1453 CA ARG A 92 -11.672 -5.717 7.676 1.00 0.81 C ATOM 1454 C ARG A 92 -10.340 -6.143 8.287 1.00 1.30 C ATOM 1455 O ARG A 92 -10.043 -5.807 9.430 1.00 1.59 O ATOM 1456 CB ARG A 92 -12.641 -6.903 7.828 1.00 0.87 C ATOM 1457 CG ARG A 92 -14.036 -6.721 7.218 1.00 0.96 C ATOM 1458 CD ARG A 92 -15.208 -6.923 8.188 1.00 1.35 C ATOM 1459 NE ARG A 92 -15.380 -5.786 9.115 1.00 2.72 N ATOM 1460 CZ ARG A 92 -15.992 -4.644 8.813 1.00 3.77 C ATOM 1461 NH1 ARG A 92 -16.511 -4.415 7.632 1.00 4.10 N ATOM 1462 NH2 ARG A 92 -16.093 -3.692 9.717 1.00 5.35 N ATOM 0 H ARG A 92 -12.191 -5.757 5.640 1.00 0.84 H new ATOM 0 HA ARG A 92 -12.065 -4.841 8.191 1.00 0.81 H new ATOM 0 HB2 ARG A 92 -12.181 -7.781 7.375 1.00 0.87 H new ATOM 0 HB3 ARG A 92 -12.757 -7.116 8.891 1.00 0.87 H new ATOM 0 HG2 ARG A 92 -14.103 -5.717 6.798 1.00 0.96 H new ATOM 0 HG3 ARG A 92 -14.146 -7.421 6.390 1.00 0.96 H new ATOM 0 HD2 ARG A 92 -16.126 -7.065 7.618 1.00 1.35 H new ATOM 0 HD3 ARG A 92 -15.046 -7.835 8.763 1.00 1.35 H new ATOM 0 HE ARG A 92 -15.001 -5.884 10.057 1.00 2.72 H new ATOM 0 HH11 ARG A 92 -16.454 -5.126 6.903 1.00 4.10 H new ATOM 0 HH12 ARG A 92 -16.972 -3.525 7.441 1.00 4.10 H new ATOM 0 HH21 ARG A 92 -15.702 -3.830 10.649 1.00 5.35 H new ATOM 0 HH22 ARG A 92 -16.562 -2.816 9.485 1.00 5.35 H new ATOM 1476 N TYR A 93 -9.530 -6.864 7.515 1.00 0.87 N ATOM 1477 CA TYR A 93 -8.193 -7.294 7.924 1.00 0.94 C ATOM 1478 C TYR A 93 -7.230 -6.127 8.232 1.00 1.23 C ATOM 1479 O TYR A 93 -6.616 -6.102 9.298 1.00 1.46 O ATOM 1480 CB TYR A 93 -7.636 -8.211 6.828 1.00 0.94 C ATOM 1481 CG TYR A 93 -6.373 -8.978 7.181 1.00 1.20 C ATOM 1482 CD1 TYR A 93 -6.191 -9.520 8.472 1.00 2.21 C ATOM 1483 CD2 TYR A 93 -5.407 -9.216 6.182 1.00 2.12 C ATOM 1484 CE1 TYR A 93 -5.064 -10.311 8.757 1.00 2.25 C ATOM 1485 CE2 TYR A 93 -4.281 -10.010 6.462 1.00 2.42 C ATOM 1486 CZ TYR A 93 -4.115 -10.573 7.746 1.00 1.76 C ATOM 1487 OH TYR A 93 -3.055 -11.379 8.008 1.00 2.21 O ATOM 0 H TYR A 93 -9.786 -7.170 6.576 1.00 0.87 H new ATOM 0 HA TYR A 93 -8.280 -7.831 8.869 1.00 0.94 H new ATOM 0 HB2 TYR A 93 -8.409 -8.929 6.555 1.00 0.94 H new ATOM 0 HB3 TYR A 93 -7.435 -7.607 5.943 1.00 0.94 H new ATOM 0 HD1 TYR A 93 -6.921 -9.326 9.244 1.00 2.21 H new ATOM 0 HD2 TYR A 93 -5.532 -8.787 5.199 1.00 2.12 H new ATOM 0 HE1 TYR A 93 -4.925 -10.717 9.748 1.00 2.25 H new ATOM 0 HE2 TYR A 93 -3.543 -10.189 5.694 1.00 2.42 H new ATOM 0 HH TYR A 93 -2.635 -11.651 7.165 1.00 2.21 H new ATOM 1497 N ALA A 94 -7.127 -5.139 7.338 1.00 1.05 N ATOM 1498 CA ALA A 94 -6.340 -3.921 7.557 1.00 1.15 C ATOM 1499 C ALA A 94 -6.924 -3.035 8.677 1.00 1.17 C ATOM 1500 O ALA A 94 -6.185 -2.496 9.501 1.00 1.18 O ATOM 1501 CB ALA A 94 -6.244 -3.170 6.220 1.00 1.33 C ATOM 0 H ALA A 94 -7.593 -5.163 6.431 1.00 1.05 H new ATOM 0 HA ALA A 94 -5.342 -4.193 7.901 1.00 1.15 H new ATOM 0 HB1 ALA A 94 -5.662 -2.258 6.356 1.00 1.33 H new ATOM 0 HB2 ALA A 94 -5.756 -3.805 5.480 1.00 1.33 H new ATOM 0 HB3 ALA A 94 -7.245 -2.913 5.874 1.00 1.33 H new ATOM 1507 N LYS A 95 -8.254 -2.950 8.756 1.00 0.99 N ATOM 1508 CA LYS A 95 -9.005 -2.233 9.790 1.00 0.95 C ATOM 1509 C LYS A 95 -8.787 -2.826 11.191 1.00 1.17 C ATOM 1510 O LYS A 95 -8.690 -2.071 12.159 1.00 1.33 O ATOM 1511 CB LYS A 95 -10.501 -2.233 9.400 1.00 1.15 C ATOM 1512 CG LYS A 95 -11.176 -0.859 9.348 1.00 1.34 C ATOM 1513 CD LYS A 95 -10.455 0.093 8.383 1.00 1.55 C ATOM 1514 CE LYS A 95 -11.382 1.200 7.872 1.00 1.41 C ATOM 1515 NZ LYS A 95 -12.010 0.807 6.590 1.00 1.37 N ATOM 0 H LYS A 95 -8.863 -3.398 8.072 1.00 0.99 H new ATOM 0 HA LYS A 95 -8.638 -1.208 9.844 1.00 0.95 H new ATOM 0 HB2 LYS A 95 -10.602 -2.704 8.422 1.00 1.15 H new ATOM 0 HB3 LYS A 95 -11.043 -2.856 10.112 1.00 1.15 H new ATOM 0 HG2 LYS A 95 -12.214 -0.975 9.036 1.00 1.34 H new ATOM 0 HG3 LYS A 95 -11.190 -0.423 10.347 1.00 1.34 H new ATOM 0 HD2 LYS A 95 -9.599 0.541 8.887 1.00 1.55 H new ATOM 0 HD3 LYS A 95 -10.066 -0.474 7.537 1.00 1.55 H new ATOM 0 HE2 LYS A 95 -12.154 1.405 8.613 1.00 1.41 H new ATOM 0 HE3 LYS A 95 -10.816 2.122 7.738 1.00 1.41 H new ATOM 0 HZ1 LYS A 95 -12.673 1.549 6.286 1.00 1.37 H new ATOM 0 HZ2 LYS A 95 -11.274 0.683 5.866 1.00 1.37 H new ATOM 0 HZ3 LYS A 95 -12.525 -0.088 6.716 1.00 1.37 H new ATOM 1529 N ALA A 96 -8.675 -4.156 11.291 1.00 0.95 N ATOM 1530 CA ALA A 96 -8.346 -4.878 12.521 1.00 0.99 C ATOM 1531 C ALA A 96 -6.922 -4.587 13.023 1.00 1.13 C ATOM 1532 O ALA A 96 -6.716 -4.550 14.232 1.00 1.30 O ATOM 1533 CB ALA A 96 -8.567 -6.376 12.281 1.00 1.05 C ATOM 0 H ALA A 96 -8.815 -4.776 10.493 1.00 0.95 H new ATOM 0 HA ALA A 96 -9.006 -4.529 13.315 1.00 0.99 H new ATOM 0 HB1 ALA A 96 -8.326 -6.929 13.189 1.00 1.05 H new ATOM 0 HB2 ALA A 96 -9.609 -6.552 12.015 1.00 1.05 H new ATOM 0 HB3 ALA A 96 -7.923 -6.713 11.469 1.00 1.05 H new ATOM 1539 N PHE A 97 -5.964 -4.308 12.125 1.00 1.16 N ATOM 1540 CA PHE A 97 -4.696 -3.680 12.508 1.00 1.17 C ATOM 1541 C PHE A 97 -4.895 -2.222 12.911 1.00 1.85 C ATOM 1542 O PHE A 97 -4.398 -1.806 13.960 1.00 2.16 O ATOM 1543 CB PHE A 97 -3.655 -3.826 11.386 1.00 1.25 C ATOM 1544 CG PHE A 97 -2.970 -5.164 11.492 1.00 1.38 C ATOM 1545 CD1 PHE A 97 -3.507 -6.282 10.839 1.00 2.37 C ATOM 1546 CD2 PHE A 97 -1.893 -5.313 12.382 1.00 2.44 C ATOM 1547 CE1 PHE A 97 -3.004 -7.563 11.111 1.00 2.37 C ATOM 1548 CE2 PHE A 97 -1.377 -6.593 12.644 1.00 2.50 C ATOM 1549 CZ PHE A 97 -1.948 -7.719 12.025 1.00 1.57 C ATOM 0 H PHE A 97 -6.047 -4.509 11.128 1.00 1.16 H new ATOM 0 HA PHE A 97 -4.312 -4.201 13.385 1.00 1.17 H new ATOM 0 HB2 PHE A 97 -4.140 -3.732 10.414 1.00 1.25 H new ATOM 0 HB3 PHE A 97 -2.919 -3.025 11.454 1.00 1.25 H new ATOM 0 HD1 PHE A 97 -4.309 -6.157 10.126 1.00 2.37 H new ATOM 0 HD2 PHE A 97 -1.463 -4.447 12.863 1.00 2.44 H new ATOM 0 HE1 PHE A 97 -3.427 -8.427 10.619 1.00 2.37 H new ATOM 0 HE2 PHE A 97 -0.543 -6.712 13.320 1.00 2.50 H new ATOM 0 HZ PHE A 97 -1.574 -8.706 12.253 1.00 1.57 H new ATOM 1559 N HIS A 98 -5.623 -1.434 12.115 1.00 1.16 N ATOM 1560 CA HIS A 98 -5.897 -0.042 12.455 1.00 1.17 C ATOM 1561 C HIS A 98 -7.088 0.578 11.693 1.00 1.48 C ATOM 1562 O HIS A 98 -7.115 0.508 10.463 1.00 1.49 O ATOM 1563 CB HIS A 98 -4.617 0.773 12.215 1.00 1.16 C ATOM 1564 CG HIS A 98 -4.392 1.823 13.269 1.00 1.69 C ATOM 1565 ND1 HIS A 98 -4.138 3.160 13.071 1.00 2.32 N ATOM 1566 CD2 HIS A 98 -4.354 1.607 14.618 1.00 2.69 C ATOM 1567 CE1 HIS A 98 -3.986 3.730 14.277 1.00 3.26 C ATOM 1568 NE2 HIS A 98 -4.093 2.812 15.253 1.00 3.48 N ATOM 0 H HIS A 98 -6.032 -1.740 11.232 1.00 1.16 H new ATOM 0 HA HIS A 98 -6.193 -0.016 13.504 1.00 1.17 H new ATOM 0 HB2 HIS A 98 -3.761 0.099 12.191 1.00 1.16 H new ATOM 0 HB3 HIS A 98 -4.674 1.252 11.237 1.00 1.16 H new ATOM 0 HD2 HIS A 98 -4.503 0.656 15.108 1.00 2.69 H new ATOM 0 HE1 HIS A 98 -3.803 4.782 14.441 1.00 3.26 H new ATOM 0 HE2 HIS A 98 -4.001 2.970 16.257 1.00 3.48 H new ATOM 1577 N PRO A 99 -8.028 1.271 12.372 1.00 1.30 N ATOM 1578 CA PRO A 99 -9.217 1.834 11.731 1.00 1.42 C ATOM 1579 C PRO A 99 -8.909 2.964 10.738 1.00 1.50 C ATOM 1580 O PRO A 99 -9.747 3.265 9.895 1.00 1.45 O ATOM 1581 CB PRO A 99 -10.120 2.307 12.878 1.00 1.66 C ATOM 1582 CG PRO A 99 -9.135 2.600 14.008 1.00 1.72 C ATOM 1583 CD PRO A 99 -8.065 1.531 13.806 1.00 1.50 C ATOM 0 HA PRO A 99 -9.703 1.079 11.114 1.00 1.42 H new ATOM 0 HB2 PRO A 99 -10.689 3.194 12.601 1.00 1.66 H new ATOM 0 HB3 PRO A 99 -10.842 1.541 13.163 1.00 1.66 H new ATOM 0 HG2 PRO A 99 -8.722 3.606 13.934 1.00 1.72 H new ATOM 0 HG3 PRO A 99 -9.607 2.521 14.987 1.00 1.72 H new ATOM 0 HD2 PRO A 99 -7.096 1.875 14.166 1.00 1.50 H new ATOM 0 HD3 PRO A 99 -8.308 0.625 14.361 1.00 1.50 H new ATOM 1591 N SER A 100 -7.711 3.558 10.790 1.00 1.34 N ATOM 1592 CA SER A 100 -7.232 4.554 9.819 1.00 1.43 C ATOM 1593 C SER A 100 -6.982 4.010 8.391 1.00 1.38 C ATOM 1594 O SER A 100 -6.666 4.787 7.492 1.00 1.48 O ATOM 1595 CB SER A 100 -5.933 5.147 10.396 1.00 1.79 C ATOM 1596 OG SER A 100 -5.583 6.367 9.789 1.00 2.10 O ATOM 0 H SER A 100 -7.031 3.357 11.523 1.00 1.34 H new ATOM 0 HA SER A 100 -8.018 5.298 9.689 1.00 1.43 H new ATOM 0 HB2 SER A 100 -6.052 5.299 11.469 1.00 1.79 H new ATOM 0 HB3 SER A 100 -5.121 4.432 10.263 1.00 1.79 H new ATOM 0 HG SER A 100 -4.782 6.730 10.222 1.00 2.10 H new ATOM 1602 N PHE A 101 -7.048 2.687 8.164 1.00 1.03 N ATOM 1603 CA PHE A 101 -6.606 2.050 6.912 1.00 0.89 C ATOM 1604 C PHE A 101 -7.769 1.698 5.969 1.00 1.77 C ATOM 1605 O PHE A 101 -8.933 1.690 6.370 1.00 2.22 O ATOM 1606 CB PHE A 101 -5.763 0.809 7.261 1.00 0.96 C ATOM 1607 CG PHE A 101 -4.375 1.047 7.843 1.00 1.29 C ATOM 1608 CD1 PHE A 101 -3.868 2.340 8.100 1.00 2.53 C ATOM 1609 CD2 PHE A 101 -3.542 -0.069 8.049 1.00 2.37 C ATOM 1610 CE1 PHE A 101 -2.540 2.513 8.520 1.00 2.79 C ATOM 1611 CE2 PHE A 101 -2.206 0.102 8.440 1.00 2.50 C ATOM 1612 CZ PHE A 101 -1.703 1.396 8.655 1.00 2.07 C ATOM 0 H PHE A 101 -7.412 2.025 8.849 1.00 1.03 H new ATOM 0 HA PHE A 101 -5.999 2.767 6.359 1.00 0.89 H new ATOM 0 HB2 PHE A 101 -6.328 0.207 7.972 1.00 0.96 H new ATOM 0 HB3 PHE A 101 -5.651 0.212 6.356 1.00 0.96 H new ATOM 0 HD1 PHE A 101 -4.507 3.202 7.972 1.00 2.53 H new ATOM 0 HD2 PHE A 101 -3.935 -1.065 7.905 1.00 2.37 H new ATOM 0 HE1 PHE A 101 -2.164 3.502 8.738 1.00 2.79 H new ATOM 0 HE2 PHE A 101 -1.566 -0.758 8.575 1.00 2.50 H new ATOM 0 HZ PHE A 101 -0.666 1.531 8.926 1.00 2.07 H new ATOM 1622 N LEU A 102 -7.450 1.377 4.711 1.00 0.91 N ATOM 1623 CA LEU A 102 -8.437 1.066 3.668 1.00 0.83 C ATOM 1624 C LEU A 102 -8.031 -0.135 2.808 1.00 1.08 C ATOM 1625 O LEU A 102 -6.918 -0.174 2.284 1.00 1.31 O ATOM 1626 CB LEU A 102 -8.612 2.328 2.806 1.00 0.88 C ATOM 1627 CG LEU A 102 -9.669 2.253 1.686 1.00 1.17 C ATOM 1628 CD1 LEU A 102 -11.075 1.901 2.196 1.00 1.09 C ATOM 1629 CD2 LEU A 102 -9.712 3.619 0.986 1.00 2.00 C ATOM 0 H LEU A 102 -6.486 1.325 4.382 1.00 0.91 H new ATOM 0 HA LEU A 102 -9.378 0.782 4.139 1.00 0.83 H new ATOM 0 HB2 LEU A 102 -8.870 3.158 3.464 1.00 0.88 H new ATOM 0 HB3 LEU A 102 -7.650 2.568 2.352 1.00 0.88 H new ATOM 0 HG LEU A 102 -9.378 1.452 1.006 1.00 1.17 H new ATOM 0 HD11 LEU A 102 -11.768 1.865 1.356 1.00 1.09 H new ATOM 0 HD12 LEU A 102 -11.051 0.929 2.688 1.00 1.09 H new ATOM 0 HD13 LEU A 102 -11.405 2.659 2.906 1.00 1.09 H new ATOM 0 HD21 LEU A 102 -10.453 3.595 0.187 1.00 2.00 H new ATOM 0 HD22 LEU A 102 -9.982 4.390 1.708 1.00 2.00 H new ATOM 0 HD23 LEU A 102 -8.732 3.843 0.565 1.00 2.00 H new ATOM 1641 N GLY A 103 -8.959 -1.073 2.609 1.00 0.69 N ATOM 1642 CA GLY A 103 -8.836 -2.177 1.647 1.00 0.61 C ATOM 1643 C GLY A 103 -9.626 -1.899 0.371 1.00 0.61 C ATOM 1644 O GLY A 103 -10.798 -1.527 0.442 1.00 0.71 O ATOM 0 H GLY A 103 -9.840 -1.089 3.124 1.00 0.69 H new ATOM 0 HA2 GLY A 103 -7.786 -2.330 1.400 1.00 0.61 H new ATOM 0 HA3 GLY A 103 -9.193 -3.100 2.103 1.00 0.61 H new ATOM 1648 N LEU A 104 -8.990 -2.083 -0.792 1.00 0.46 N ATOM 1649 CA LEU A 104 -9.573 -1.893 -2.121 1.00 0.45 C ATOM 1650 C LEU A 104 -9.496 -3.193 -2.942 1.00 1.04 C ATOM 1651 O LEU A 104 -8.429 -3.778 -3.139 1.00 1.32 O ATOM 1652 CB LEU A 104 -8.866 -0.729 -2.844 1.00 0.51 C ATOM 1653 CG LEU A 104 -8.932 0.640 -2.138 1.00 0.68 C ATOM 1654 CD1 LEU A 104 -8.206 1.714 -2.959 1.00 0.83 C ATOM 1655 CD2 LEU A 104 -10.373 1.120 -1.908 1.00 1.09 C ATOM 0 H LEU A 104 -8.015 -2.381 -0.832 1.00 0.46 H new ATOM 0 HA LEU A 104 -10.627 -1.638 -2.012 1.00 0.45 H new ATOM 0 HB2 LEU A 104 -7.818 -0.995 -2.982 1.00 0.51 H new ATOM 0 HB3 LEU A 104 -9.302 -0.625 -3.838 1.00 0.51 H new ATOM 0 HG LEU A 104 -8.448 0.497 -1.172 1.00 0.68 H new ATOM 0 HD11 LEU A 104 -8.266 2.671 -2.441 1.00 0.83 H new ATOM 0 HD12 LEU A 104 -7.160 1.433 -3.082 1.00 0.83 H new ATOM 0 HD13 LEU A 104 -8.675 1.802 -3.939 1.00 0.83 H new ATOM 0 HD21 LEU A 104 -10.358 2.088 -1.408 1.00 1.09 H new ATOM 0 HD22 LEU A 104 -10.882 1.215 -2.867 1.00 1.09 H new ATOM 0 HD23 LEU A 104 -10.902 0.398 -1.286 1.00 1.09 H new ATOM 1667 N SER A 105 -10.652 -3.674 -3.392 1.00 0.46 N ATOM 1668 CA SER A 105 -10.802 -4.809 -4.305 1.00 0.54 C ATOM 1669 C SER A 105 -12.075 -4.647 -5.151 1.00 0.92 C ATOM 1670 O SER A 105 -13.040 -4.056 -4.665 1.00 1.22 O ATOM 1671 CB SER A 105 -10.861 -6.090 -3.483 1.00 0.64 C ATOM 1672 OG SER A 105 -10.780 -7.243 -4.292 1.00 0.96 O ATOM 0 H SER A 105 -11.548 -3.269 -3.121 1.00 0.46 H new ATOM 0 HA SER A 105 -9.952 -4.853 -4.986 1.00 0.54 H new ATOM 0 HB2 SER A 105 -10.044 -6.095 -2.762 1.00 0.64 H new ATOM 0 HB3 SER A 105 -11.790 -6.112 -2.913 1.00 0.64 H new ATOM 0 HG SER A 105 -10.452 -7.996 -3.757 1.00 0.96 H new ATOM 1678 N GLY A 106 -12.141 -5.198 -6.368 1.00 0.85 N ATOM 1679 CA GLY A 106 -13.335 -5.110 -7.212 1.00 1.10 C ATOM 1680 C GLY A 106 -13.096 -5.531 -8.651 1.00 1.05 C ATOM 1681 O GLY A 106 -12.529 -6.593 -8.882 1.00 1.13 O ATOM 0 H GLY A 106 -11.371 -5.715 -6.793 1.00 0.85 H new ATOM 0 HA2 GLY A 106 -14.118 -5.736 -6.785 1.00 1.10 H new ATOM 0 HA3 GLY A 106 -13.704 -4.084 -7.199 1.00 1.10 H new ATOM 1685 N SER A 107 -13.525 -4.715 -9.613 1.00 1.10 N ATOM 1686 CA SER A 107 -13.277 -4.958 -11.047 1.00 1.28 C ATOM 1687 C SER A 107 -11.826 -5.425 -11.324 1.00 1.19 C ATOM 1688 O SER A 107 -10.879 -4.677 -11.038 1.00 1.12 O ATOM 1689 CB SER A 107 -13.634 -3.713 -11.879 1.00 1.60 C ATOM 1690 OG SER A 107 -12.873 -3.562 -13.071 1.00 1.83 O ATOM 0 H SER A 107 -14.056 -3.864 -9.427 1.00 1.10 H new ATOM 0 HA SER A 107 -13.930 -5.775 -11.354 1.00 1.28 H new ATOM 0 HB2 SER A 107 -14.691 -3.758 -12.141 1.00 1.60 H new ATOM 0 HB3 SER A 107 -13.496 -2.826 -11.260 1.00 1.60 H new ATOM 0 HG SER A 107 -12.983 -4.358 -13.632 1.00 1.83 H new ATOM 1696 N PRO A 108 -11.622 -6.637 -11.892 1.00 1.25 N ATOM 1697 CA PRO A 108 -10.292 -7.171 -12.195 1.00 1.30 C ATOM 1698 C PRO A 108 -9.563 -6.342 -13.259 1.00 1.38 C ATOM 1699 O PRO A 108 -8.338 -6.347 -13.293 1.00 1.20 O ATOM 1700 CB PRO A 108 -10.512 -8.618 -12.647 1.00 1.49 C ATOM 1701 CG PRO A 108 -11.943 -8.619 -13.172 1.00 1.53 C ATOM 1702 CD PRO A 108 -12.643 -7.604 -12.277 1.00 1.45 C ATOM 0 HA PRO A 108 -9.646 -7.127 -11.318 1.00 1.30 H new ATOM 0 HB2 PRO A 108 -9.801 -8.908 -13.421 1.00 1.49 H new ATOM 0 HB3 PRO A 108 -10.388 -9.319 -11.821 1.00 1.49 H new ATOM 0 HG2 PRO A 108 -11.987 -8.328 -14.222 1.00 1.53 H new ATOM 0 HG3 PRO A 108 -12.399 -9.606 -13.095 1.00 1.53 H new ATOM 0 HD2 PRO A 108 -13.462 -7.117 -12.806 1.00 1.45 H new ATOM 0 HD3 PRO A 108 -13.073 -8.088 -11.400 1.00 1.45 H new ATOM 1710 N GLU A 109 -10.300 -5.595 -14.082 1.00 1.17 N ATOM 1711 CA GLU A 109 -9.777 -4.588 -15.005 1.00 1.13 C ATOM 1712 C GLU A 109 -9.213 -3.383 -14.236 1.00 1.18 C ATOM 1713 O GLU A 109 -8.091 -2.951 -14.500 1.00 1.31 O ATOM 1714 CB GLU A 109 -10.871 -4.112 -15.985 1.00 1.32 C ATOM 1715 CG GLU A 109 -11.659 -5.221 -16.708 1.00 1.52 C ATOM 1716 CD GLU A 109 -12.658 -5.981 -15.822 1.00 2.61 C ATOM 1717 OE1 GLU A 109 -12.982 -5.489 -14.713 1.00 3.64 O ATOM 1718 OE2 GLU A 109 -13.059 -7.088 -16.223 1.00 3.28 O ATOM 0 H GLU A 109 -11.316 -5.678 -14.125 1.00 1.17 H new ATOM 0 HA GLU A 109 -8.973 -5.053 -15.576 1.00 1.13 H new ATOM 0 HB2 GLU A 109 -11.578 -3.491 -15.435 1.00 1.32 H new ATOM 0 HB3 GLU A 109 -10.405 -3.475 -16.737 1.00 1.32 H new ATOM 0 HG2 GLU A 109 -12.200 -4.777 -17.544 1.00 1.52 H new ATOM 0 HG3 GLU A 109 -10.951 -5.935 -17.129 1.00 1.52 H new ATOM 1725 N ALA A 110 -9.954 -2.865 -13.248 1.00 0.87 N ATOM 1726 CA ALA A 110 -9.551 -1.749 -12.387 1.00 0.79 C ATOM 1727 C ALA A 110 -8.391 -2.131 -11.456 1.00 0.89 C ATOM 1728 O ALA A 110 -7.399 -1.404 -11.375 1.00 0.86 O ATOM 1729 CB ALA A 110 -10.793 -1.286 -11.608 1.00 0.90 C ATOM 0 H ALA A 110 -10.881 -3.224 -13.020 1.00 0.87 H new ATOM 0 HA ALA A 110 -9.172 -0.928 -12.996 1.00 0.79 H new ATOM 0 HB1 ALA A 110 -10.525 -0.454 -10.957 1.00 0.90 H new ATOM 0 HB2 ALA A 110 -11.563 -0.964 -12.309 1.00 0.90 H new ATOM 0 HB3 ALA A 110 -11.173 -2.111 -11.005 1.00 0.90 H new ATOM 1735 N VAL A 111 -8.470 -3.307 -10.823 1.00 0.87 N ATOM 1736 CA VAL A 111 -7.351 -3.916 -10.082 1.00 0.87 C ATOM 1737 C VAL A 111 -6.133 -4.058 -11.002 1.00 1.18 C ATOM 1738 O VAL A 111 -5.017 -3.691 -10.618 1.00 1.02 O ATOM 1739 CB VAL A 111 -7.750 -5.290 -9.493 1.00 1.00 C ATOM 1740 CG1 VAL A 111 -6.543 -6.125 -9.029 1.00 1.15 C ATOM 1741 CG2 VAL A 111 -8.724 -5.118 -8.313 1.00 1.43 C ATOM 0 H VAL A 111 -9.320 -3.871 -10.808 1.00 0.87 H new ATOM 0 HA VAL A 111 -7.094 -3.262 -9.249 1.00 0.87 H new ATOM 0 HB VAL A 111 -8.234 -5.831 -10.306 1.00 1.00 H new ATOM 0 HG11 VAL A 111 -6.892 -7.076 -8.627 1.00 1.15 H new ATOM 0 HG12 VAL A 111 -5.881 -6.310 -9.875 1.00 1.15 H new ATOM 0 HG13 VAL A 111 -6.000 -5.581 -8.256 1.00 1.15 H new ATOM 0 HG21 VAL A 111 -8.990 -6.097 -7.915 1.00 1.43 H new ATOM 0 HG22 VAL A 111 -8.248 -4.526 -7.531 1.00 1.43 H new ATOM 0 HG23 VAL A 111 -9.625 -4.608 -8.656 1.00 1.43 H new ATOM 1751 N ARG A 112 -6.325 -4.557 -12.232 1.00 0.93 N ATOM 1752 CA ARG A 112 -5.226 -4.696 -13.176 1.00 0.98 C ATOM 1753 C ARG A 112 -4.678 -3.350 -13.653 1.00 1.14 C ATOM 1754 O ARG A 112 -3.467 -3.289 -13.823 1.00 1.28 O ATOM 1755 CB ARG A 112 -5.575 -5.642 -14.331 1.00 1.12 C ATOM 1756 CG ARG A 112 -4.323 -5.866 -15.188 1.00 1.28 C ATOM 1757 CD ARG A 112 -4.374 -7.146 -16.010 1.00 2.18 C ATOM 1758 NE ARG A 112 -3.086 -7.328 -16.702 1.00 2.80 N ATOM 1759 CZ ARG A 112 -2.752 -8.297 -17.534 1.00 3.90 C ATOM 1760 NH1 ARG A 112 -3.600 -9.240 -17.879 1.00 4.66 N ATOM 1761 NH2 ARG A 112 -1.532 -8.309 -18.025 1.00 4.87 N ATOM 0 H ARG A 112 -7.229 -4.867 -12.587 1.00 0.93 H new ATOM 0 HA ARG A 112 -4.408 -5.166 -12.630 1.00 0.98 H new ATOM 0 HB2 ARG A 112 -5.940 -6.593 -13.942 1.00 1.12 H new ATOM 0 HB3 ARG A 112 -6.375 -5.217 -14.937 1.00 1.12 H new ATOM 0 HG2 ARG A 112 -4.195 -5.017 -15.859 1.00 1.28 H new ATOM 0 HG3 ARG A 112 -3.448 -5.894 -14.539 1.00 1.28 H new ATOM 0 HD2 ARG A 112 -4.577 -8.000 -15.364 1.00 2.18 H new ATOM 0 HD3 ARG A 112 -5.186 -7.095 -16.735 1.00 2.18 H new ATOM 0 HE ARG A 112 -2.371 -6.625 -16.517 1.00 2.80 H new ATOM 0 HH11 ARG A 112 -4.548 -9.237 -17.501 1.00 4.66 H new ATOM 0 HH12 ARG A 112 -3.311 -9.975 -18.524 1.00 4.66 H new ATOM 0 HH21 ARG A 112 -0.869 -7.580 -17.761 1.00 4.87 H new ATOM 0 HH22 ARG A 112 -1.249 -9.047 -18.670 1.00 4.87 H new ATOM 1775 N GLU A 113 -5.469 -2.286 -13.805 1.00 0.84 N ATOM 1776 CA GLU A 113 -4.962 -0.934 -14.017 1.00 0.81 C ATOM 1777 C GLU A 113 -3.926 -0.560 -12.953 1.00 1.08 C ATOM 1778 O GLU A 113 -2.745 -0.404 -13.261 1.00 1.24 O ATOM 1779 CB GLU A 113 -6.168 0.021 -14.007 1.00 0.90 C ATOM 1780 CG GLU A 113 -6.235 0.849 -15.280 1.00 1.25 C ATOM 1781 CD GLU A 113 -5.300 2.054 -15.192 1.00 2.56 C ATOM 1782 OE1 GLU A 113 -4.072 1.824 -15.105 1.00 3.35 O ATOM 1783 OE2 GLU A 113 -5.813 3.192 -15.169 1.00 3.75 O ATOM 0 H GLU A 113 -6.487 -2.342 -13.784 1.00 0.84 H new ATOM 0 HA GLU A 113 -4.447 -0.865 -14.975 1.00 0.81 H new ATOM 0 HB2 GLU A 113 -7.088 -0.554 -13.897 1.00 0.90 H new ATOM 0 HB3 GLU A 113 -6.101 0.684 -13.144 1.00 0.90 H new ATOM 0 HG2 GLU A 113 -5.961 0.232 -16.136 1.00 1.25 H new ATOM 0 HG3 GLU A 113 -7.258 1.188 -15.446 1.00 1.25 H new ATOM 1790 N ALA A 114 -4.325 -0.544 -11.675 1.00 0.64 N ATOM 1791 CA ALA A 114 -3.441 -0.145 -10.579 1.00 0.61 C ATOM 1792 C ALA A 114 -2.160 -0.989 -10.507 1.00 0.92 C ATOM 1793 O ALA A 114 -1.097 -0.462 -10.191 1.00 0.99 O ATOM 1794 CB ALA A 114 -4.236 -0.221 -9.277 1.00 0.59 C ATOM 0 H ALA A 114 -5.264 -0.806 -11.376 1.00 0.64 H new ATOM 0 HA ALA A 114 -3.101 0.876 -10.755 1.00 0.61 H new ATOM 0 HB1 ALA A 114 -3.598 0.072 -8.443 1.00 0.59 H new ATOM 0 HB2 ALA A 114 -5.092 0.452 -9.333 1.00 0.59 H new ATOM 0 HB3 ALA A 114 -4.587 -1.242 -9.124 1.00 0.59 H new ATOM 1800 N ALA A 115 -2.238 -2.279 -10.837 1.00 0.74 N ATOM 1801 CA ALA A 115 -1.067 -3.133 -10.956 1.00 0.86 C ATOM 1802 C ALA A 115 -0.185 -2.753 -12.156 1.00 1.09 C ATOM 1803 O ALA A 115 1.012 -2.524 -12.004 1.00 1.23 O ATOM 1804 CB ALA A 115 -1.550 -4.573 -11.085 1.00 0.90 C ATOM 0 H ALA A 115 -3.119 -2.757 -11.029 1.00 0.74 H new ATOM 0 HA ALA A 115 -0.446 -3.008 -10.069 1.00 0.86 H new ATOM 0 HB1 ALA A 115 -0.691 -5.238 -11.176 1.00 0.90 H new ATOM 0 HB2 ALA A 115 -2.127 -4.844 -10.201 1.00 0.90 H new ATOM 0 HB3 ALA A 115 -2.178 -4.668 -11.971 1.00 0.90 H new ATOM 1810 N GLN A 116 -0.772 -2.668 -13.352 1.00 1.10 N ATOM 1811 CA GLN A 116 -0.073 -2.417 -14.613 1.00 1.36 C ATOM 1812 C GLN A 116 0.622 -1.064 -14.634 1.00 1.55 C ATOM 1813 O GLN A 116 1.763 -0.988 -15.087 1.00 1.73 O ATOM 1814 CB GLN A 116 -1.070 -2.442 -15.786 1.00 1.48 C ATOM 1815 CG GLN A 116 -1.482 -3.854 -16.217 1.00 1.84 C ATOM 1816 CD GLN A 116 -0.381 -4.690 -16.857 1.00 2.21 C ATOM 1817 OE1 GLN A 116 -0.527 -5.899 -16.990 1.00 2.54 O ATOM 1818 NE2 GLN A 116 0.728 -4.120 -17.288 1.00 2.98 N ATOM 0 H GLN A 116 -1.779 -2.776 -13.473 1.00 1.10 H new ATOM 0 HA GLN A 116 0.676 -3.203 -14.709 1.00 1.36 H new ATOM 0 HB2 GLN A 116 -1.962 -1.883 -15.504 1.00 1.48 H new ATOM 0 HB3 GLN A 116 -0.627 -1.927 -16.638 1.00 1.48 H new ATOM 0 HG2 GLN A 116 -1.858 -4.387 -15.344 1.00 1.84 H new ATOM 0 HG3 GLN A 116 -2.310 -3.773 -16.922 1.00 1.84 H new ATOM 0 HE21 GLN A 116 0.859 -3.114 -17.182 1.00 2.98 H new ATOM 0 HE22 GLN A 116 1.454 -4.685 -17.727 1.00 2.98 H new ATOM 1827 N THR A 117 -0.077 -0.029 -14.165 1.00 1.39 N ATOM 1828 CA THR A 117 0.363 1.370 -14.229 1.00 1.58 C ATOM 1829 C THR A 117 1.525 1.636 -13.276 1.00 1.72 C ATOM 1830 O THR A 117 2.400 2.451 -13.582 1.00 1.72 O ATOM 1831 CB THR A 117 -0.866 2.270 -14.029 1.00 1.78 C ATOM 1832 OG1 THR A 117 -1.515 2.261 -15.276 1.00 2.12 O ATOM 1833 CG2 THR A 117 -0.550 3.727 -13.684 1.00 1.79 C ATOM 0 H THR A 117 -0.987 -0.141 -13.719 1.00 1.39 H new ATOM 0 HA THR A 117 0.778 1.607 -15.209 1.00 1.58 H new ATOM 0 HB THR A 117 -1.445 1.888 -13.188 1.00 1.78 H new ATOM 0 HG1 THR A 117 -2.378 1.804 -15.192 1.00 2.12 H new ATOM 0 HG21 THR A 117 -1.480 4.282 -13.562 1.00 1.79 H new ATOM 0 HG22 THR A 117 0.020 3.766 -12.756 1.00 1.79 H new ATOM 0 HG23 THR A 117 0.036 4.172 -14.488 1.00 1.79 H new ATOM 1841 N PHE A 118 1.565 0.940 -12.137 1.00 1.46 N ATOM 1842 CA PHE A 118 2.733 0.861 -11.256 1.00 1.53 C ATOM 1843 C PHE A 118 3.855 -0.060 -11.771 1.00 2.42 C ATOM 1844 O PHE A 118 5.017 0.185 -11.444 1.00 2.73 O ATOM 1845 CB PHE A 118 2.265 0.457 -9.849 1.00 1.44 C ATOM 1846 CG PHE A 118 1.700 1.619 -9.051 1.00 1.34 C ATOM 1847 CD1 PHE A 118 0.466 2.210 -9.402 1.00 2.66 C ATOM 1848 CD2 PHE A 118 2.435 2.147 -7.973 1.00 1.84 C ATOM 1849 CE1 PHE A 118 -0.027 3.306 -8.680 1.00 2.36 C ATOM 1850 CE2 PHE A 118 1.941 3.244 -7.248 1.00 1.99 C ATOM 1851 CZ PHE A 118 0.712 3.819 -7.602 1.00 1.28 C ATOM 0 H PHE A 118 0.768 0.404 -11.794 1.00 1.46 H new ATOM 0 HA PHE A 118 3.191 1.850 -11.231 1.00 1.53 H new ATOM 0 HB2 PHE A 118 1.505 -0.320 -9.935 1.00 1.44 H new ATOM 0 HB3 PHE A 118 3.104 0.024 -9.304 1.00 1.44 H new ATOM 0 HD1 PHE A 118 -0.101 1.815 -10.232 1.00 2.66 H new ATOM 0 HD2 PHE A 118 3.383 1.707 -7.702 1.00 1.84 H new ATOM 0 HE1 PHE A 118 -0.971 3.754 -8.952 1.00 2.36 H new ATOM 0 HE2 PHE A 118 2.507 3.644 -6.419 1.00 1.99 H new ATOM 0 HZ PHE A 118 0.332 4.661 -7.042 1.00 1.28 H new ATOM 1861 N GLY A 119 3.530 -1.116 -12.532 1.00 1.59 N ATOM 1862 CA GLY A 119 4.461 -2.190 -12.926 1.00 1.62 C ATOM 1863 C GLY A 119 4.438 -3.433 -12.027 1.00 1.40 C ATOM 1864 O GLY A 119 5.380 -4.213 -12.069 1.00 1.57 O ATOM 0 H GLY A 119 2.589 -1.252 -12.901 1.00 1.59 H new ATOM 0 HA2 GLY A 119 4.229 -2.494 -13.947 1.00 1.62 H new ATOM 0 HA3 GLY A 119 5.474 -1.786 -12.936 1.00 1.62 H new ATOM 1868 N VAL A 120 3.385 -3.619 -11.233 1.00 1.09 N ATOM 1869 CA VAL A 120 3.154 -4.773 -10.348 1.00 0.86 C ATOM 1870 C VAL A 120 2.624 -5.966 -11.147 1.00 1.01 C ATOM 1871 O VAL A 120 1.818 -5.823 -12.068 1.00 1.25 O ATOM 1872 CB VAL A 120 2.192 -4.399 -9.197 1.00 0.82 C ATOM 1873 CG1 VAL A 120 1.512 -5.580 -8.476 1.00 0.94 C ATOM 1874 CG2 VAL A 120 2.945 -3.542 -8.175 1.00 1.24 C ATOM 0 H VAL A 120 2.628 -2.937 -11.183 1.00 1.09 H new ATOM 0 HA VAL A 120 4.107 -5.062 -9.904 1.00 0.86 H new ATOM 0 HB VAL A 120 1.375 -3.855 -9.671 1.00 0.82 H new ATOM 0 HG11 VAL A 120 0.861 -5.200 -7.689 1.00 0.94 H new ATOM 0 HG12 VAL A 120 0.921 -6.151 -9.192 1.00 0.94 H new ATOM 0 HG13 VAL A 120 2.273 -6.225 -8.037 1.00 0.94 H new ATOM 0 HG21 VAL A 120 2.273 -3.274 -7.360 1.00 1.24 H new ATOM 0 HG22 VAL A 120 3.789 -4.106 -7.779 1.00 1.24 H new ATOM 0 HG23 VAL A 120 3.309 -2.635 -8.658 1.00 1.24 H new ATOM 1884 N PHE A 121 3.088 -7.149 -10.751 1.00 0.81 N ATOM 1885 CA PHE A 121 2.922 -8.427 -11.424 1.00 0.83 C ATOM 1886 C PHE A 121 2.494 -9.520 -10.435 1.00 1.68 C ATOM 1887 O PHE A 121 2.860 -9.513 -9.255 1.00 1.69 O ATOM 1888 CB PHE A 121 4.247 -8.771 -12.126 1.00 0.86 C ATOM 1889 CG PHE A 121 5.471 -8.723 -11.226 1.00 0.86 C ATOM 1890 CD1 PHE A 121 5.788 -9.819 -10.400 1.00 2.24 C ATOM 1891 CD2 PHE A 121 6.265 -7.559 -11.175 1.00 2.03 C ATOM 1892 CE1 PHE A 121 6.883 -9.752 -9.521 1.00 2.20 C ATOM 1893 CE2 PHE A 121 7.367 -7.498 -10.303 1.00 2.01 C ATOM 1894 CZ PHE A 121 7.676 -8.593 -9.476 1.00 1.19 C ATOM 0 H PHE A 121 3.627 -7.242 -9.890 1.00 0.81 H new ATOM 0 HA PHE A 121 2.127 -8.362 -12.167 1.00 0.83 H new ATOM 0 HB2 PHE A 121 4.167 -9.770 -12.555 1.00 0.86 H new ATOM 0 HB3 PHE A 121 4.394 -8.079 -12.955 1.00 0.86 H new ATOM 0 HD1 PHE A 121 5.187 -10.715 -10.442 1.00 2.24 H new ATOM 0 HD2 PHE A 121 6.027 -6.715 -11.805 1.00 2.03 H new ATOM 0 HE1 PHE A 121 7.114 -10.591 -8.881 1.00 2.20 H new ATOM 0 HE2 PHE A 121 7.978 -6.608 -10.268 1.00 2.01 H new ATOM 0 HZ PHE A 121 8.522 -8.543 -8.807 1.00 1.19 H new ATOM 1904 N TYR A 122 1.683 -10.448 -10.928 1.00 0.90 N ATOM 1905 CA TYR A 122 1.211 -11.635 -10.219 1.00 0.91 C ATOM 1906 C TYR A 122 1.057 -12.804 -11.199 1.00 1.37 C ATOM 1907 O TYR A 122 0.571 -12.608 -12.317 1.00 1.47 O ATOM 1908 CB TYR A 122 -0.113 -11.317 -9.497 1.00 0.99 C ATOM 1909 CG TYR A 122 -1.097 -10.473 -10.297 1.00 0.95 C ATOM 1910 CD1 TYR A 122 -1.936 -11.060 -11.265 1.00 2.26 C ATOM 1911 CD2 TYR A 122 -1.143 -9.080 -10.093 1.00 1.81 C ATOM 1912 CE1 TYR A 122 -2.790 -10.258 -12.046 1.00 2.23 C ATOM 1913 CE2 TYR A 122 -2.013 -8.278 -10.852 1.00 2.11 C ATOM 1914 CZ TYR A 122 -2.825 -8.862 -11.847 1.00 1.42 C ATOM 1915 OH TYR A 122 -3.623 -8.065 -12.610 1.00 1.88 O ATOM 0 H TYR A 122 1.318 -10.392 -11.879 1.00 0.90 H new ATOM 0 HA TYR A 122 1.942 -11.929 -9.466 1.00 0.91 H new ATOM 0 HB2 TYR A 122 -0.597 -12.256 -9.229 1.00 0.99 H new ATOM 0 HB3 TYR A 122 0.114 -10.798 -8.566 1.00 0.99 H new ATOM 0 HD1 TYR A 122 -1.924 -12.130 -11.409 1.00 2.26 H new ATOM 0 HD2 TYR A 122 -0.506 -8.625 -9.349 1.00 1.81 H new ATOM 0 HE1 TYR A 122 -3.419 -10.712 -12.798 1.00 2.23 H new ATOM 0 HE2 TYR A 122 -2.060 -7.214 -10.673 1.00 2.11 H new ATOM 0 HH TYR A 122 -3.517 -7.132 -12.330 1.00 1.88 H new ATOM 1925 N GLN A 123 1.435 -14.024 -10.806 1.00 1.12 N ATOM 1926 CA GLN A 123 1.297 -15.213 -11.654 1.00 1.31 C ATOM 1927 C GLN A 123 0.742 -16.377 -10.826 1.00 1.54 C ATOM 1928 O GLN A 123 1.247 -16.649 -9.742 1.00 1.96 O ATOM 1929 CB GLN A 123 2.641 -15.623 -12.289 1.00 1.42 C ATOM 1930 CG GLN A 123 3.316 -14.575 -13.197 1.00 2.01 C ATOM 1931 CD GLN A 123 3.922 -13.366 -12.478 1.00 3.09 C ATOM 1932 OE1 GLN A 123 3.751 -12.228 -12.889 1.00 4.10 O ATOM 1933 NE2 GLN A 123 4.622 -13.539 -11.382 1.00 3.81 N ATOM 0 H GLN A 123 1.845 -14.216 -9.892 1.00 1.12 H new ATOM 0 HA GLN A 123 0.607 -14.967 -12.461 1.00 1.31 H new ATOM 0 HB2 GLN A 123 3.334 -15.878 -11.488 1.00 1.42 H new ATOM 0 HB3 GLN A 123 2.481 -16.529 -12.873 1.00 1.42 H new ATOM 0 HG2 GLN A 123 4.104 -15.068 -13.767 1.00 2.01 H new ATOM 0 HG3 GLN A 123 2.580 -14.216 -13.916 1.00 2.01 H new ATOM 0 HE21 GLN A 123 4.778 -14.480 -11.020 1.00 3.81 H new ATOM 0 HE22 GLN A 123 5.010 -12.733 -10.892 1.00 3.81 H new ATOM 1942 N LYS A 124 -0.271 -17.081 -11.343 1.00 1.24 N ATOM 1943 CA LYS A 124 -0.891 -18.240 -10.672 1.00 1.20 C ATOM 1944 C LYS A 124 -0.694 -19.563 -11.437 1.00 1.39 C ATOM 1945 O LYS A 124 -0.611 -19.586 -12.662 1.00 1.75 O ATOM 1946 CB LYS A 124 -2.367 -17.939 -10.334 1.00 1.22 C ATOM 1947 CG LYS A 124 -3.299 -17.696 -11.537 1.00 1.60 C ATOM 1948 CD LYS A 124 -4.736 -17.319 -11.124 1.00 1.78 C ATOM 1949 CE LYS A 124 -4.775 -16.000 -10.338 1.00 2.60 C ATOM 1950 NZ LYS A 124 -6.148 -15.565 -10.003 1.00 3.03 N ATOM 0 H LYS A 124 -0.691 -16.864 -12.247 1.00 1.24 H new ATOM 0 HA LYS A 124 -0.366 -18.397 -9.730 1.00 1.20 H new ATOM 0 HB2 LYS A 124 -2.764 -18.773 -9.755 1.00 1.22 H new ATOM 0 HB3 LYS A 124 -2.400 -17.060 -9.691 1.00 1.22 H new ATOM 0 HG2 LYS A 124 -2.884 -16.899 -12.155 1.00 1.60 H new ATOM 0 HG3 LYS A 124 -3.329 -18.595 -12.153 1.00 1.60 H new ATOM 0 HD2 LYS A 124 -5.359 -17.230 -12.014 1.00 1.78 H new ATOM 0 HD3 LYS A 124 -5.161 -18.118 -10.516 1.00 1.78 H new ATOM 0 HE2 LYS A 124 -4.202 -16.115 -9.418 1.00 2.60 H new ATOM 0 HE3 LYS A 124 -4.286 -15.221 -10.923 1.00 2.60 H new ATOM 0 HZ1 LYS A 124 -6.113 -14.864 -9.236 1.00 3.03 H new ATOM 0 HZ2 LYS A 124 -6.591 -15.138 -10.841 1.00 3.03 H new ATOM 0 HZ3 LYS A 124 -6.707 -16.386 -9.696 1.00 3.03 H new ATOM 2120 N VAL A 135 -0.322 -18.814 -6.115 1.00 1.50 N ATOM 2121 CA VAL A 135 -0.125 -17.498 -6.752 1.00 1.37 C ATOM 2122 C VAL A 135 1.012 -16.723 -6.076 1.00 1.51 C ATOM 2123 O VAL A 135 1.113 -16.744 -4.848 1.00 1.44 O ATOM 2124 CB VAL A 135 -1.456 -16.697 -6.777 1.00 1.50 C ATOM 2125 CG1 VAL A 135 -2.046 -16.452 -5.376 1.00 2.01 C ATOM 2126 CG2 VAL A 135 -1.350 -15.362 -7.528 1.00 2.16 C ATOM 0 HA VAL A 135 0.176 -17.654 -7.788 1.00 1.37 H new ATOM 0 HB VAL A 135 -2.140 -17.343 -7.327 1.00 1.50 H new ATOM 0 HG11 VAL A 135 -2.974 -15.888 -5.466 1.00 2.01 H new ATOM 0 HG12 VAL A 135 -2.248 -17.408 -4.894 1.00 2.01 H new ATOM 0 HG13 VAL A 135 -1.334 -15.886 -4.775 1.00 2.01 H new ATOM 0 HG21 VAL A 135 -2.315 -14.855 -7.507 1.00 2.16 H new ATOM 0 HG22 VAL A 135 -0.599 -14.734 -7.049 1.00 2.16 H new ATOM 0 HG23 VAL A 135 -1.061 -15.548 -8.562 1.00 2.16 H new ATOM 2136 N ASP A 136 1.850 -16.053 -6.872 1.00 1.17 N ATOM 2137 CA ASP A 136 2.794 -15.028 -6.404 1.00 1.16 C ATOM 2138 C ASP A 136 2.282 -13.607 -6.692 1.00 1.14 C ATOM 2139 O ASP A 136 1.443 -13.392 -7.567 1.00 1.37 O ATOM 2140 CB ASP A 136 4.210 -15.253 -6.976 1.00 1.86 C ATOM 2141 CG ASP A 136 4.456 -14.652 -8.369 1.00 2.74 C ATOM 2142 OD1 ASP A 136 4.652 -13.417 -8.455 1.00 4.00 O ATOM 2143 OD2 ASP A 136 4.519 -15.427 -9.351 1.00 3.39 O ATOM 0 H ASP A 136 1.894 -16.209 -7.879 1.00 1.17 H new ATOM 0 HA ASP A 136 2.866 -15.128 -5.321 1.00 1.16 H new ATOM 0 HB2 ASP A 136 4.936 -14.830 -6.282 1.00 1.86 H new ATOM 0 HB3 ASP A 136 4.400 -16.325 -7.022 1.00 1.86 H new ATOM 2148 N HIS A 137 2.795 -12.620 -5.958 1.00 0.81 N ATOM 2149 CA HIS A 137 2.599 -11.204 -6.268 1.00 0.72 C ATOM 2150 C HIS A 137 3.844 -10.369 -5.926 1.00 1.10 C ATOM 2151 O HIS A 137 4.662 -10.768 -5.089 1.00 1.28 O ATOM 2152 CB HIS A 137 1.362 -10.682 -5.518 1.00 0.94 C ATOM 2153 CG HIS A 137 1.514 -10.643 -4.011 1.00 1.48 C ATOM 2154 ND1 HIS A 137 1.979 -9.585 -3.263 1.00 2.63 N ATOM 2155 CD2 HIS A 137 1.196 -11.640 -3.127 1.00 1.77 C ATOM 2156 CE1 HIS A 137 1.945 -9.941 -1.967 1.00 3.00 C ATOM 2157 NE2 HIS A 137 1.464 -11.185 -1.828 1.00 2.43 N ATOM 0 H HIS A 137 3.362 -12.782 -5.126 1.00 0.81 H new ATOM 0 HA HIS A 137 2.437 -11.104 -7.341 1.00 0.72 H new ATOM 0 HB2 HIS A 137 1.133 -9.677 -5.874 1.00 0.94 H new ATOM 0 HB3 HIS A 137 0.508 -11.311 -5.769 1.00 0.94 H new ATOM 0 HD2 HIS A 137 0.805 -12.613 -3.387 1.00 1.77 H new ATOM 0 HE1 HIS A 137 2.262 -9.311 -1.149 1.00 3.00 H new ATOM 0 HE2 HIS A 137 1.322 -11.695 -0.956 1.00 2.43 H new ATOM 2166 N THR A 138 3.937 -9.153 -6.485 1.00 0.76 N ATOM 2167 CA THR A 138 4.922 -8.141 -6.066 1.00 0.85 C ATOM 2168 C THR A 138 4.659 -7.732 -4.613 1.00 1.10 C ATOM 2169 O THR A 138 3.882 -6.820 -4.328 1.00 1.90 O ATOM 2170 CB THR A 138 4.917 -6.912 -6.984 1.00 1.09 C ATOM 2171 OG1 THR A 138 4.742 -7.293 -8.321 1.00 1.90 O ATOM 2172 CG2 THR A 138 6.232 -6.142 -6.900 1.00 1.12 C ATOM 0 H THR A 138 3.330 -8.842 -7.243 1.00 0.76 H new ATOM 0 HA THR A 138 5.913 -8.589 -6.143 1.00 0.85 H new ATOM 0 HB THR A 138 4.094 -6.280 -6.650 1.00 1.09 H new ATOM 0 HG1 THR A 138 5.617 -7.383 -8.753 1.00 1.90 H new ATOM 0 HG21 THR A 138 6.191 -5.278 -7.564 1.00 1.12 H new ATOM 0 HG22 THR A 138 6.392 -5.805 -5.876 1.00 1.12 H new ATOM 0 HG23 THR A 138 7.054 -6.792 -7.200 1.00 1.12 H new ATOM 2180 N ALA A 139 5.292 -8.420 -3.664 1.00 0.76 N ATOM 2181 CA ALA A 139 5.201 -8.128 -2.229 1.00 0.92 C ATOM 2182 C ALA A 139 6.030 -6.882 -1.862 1.00 1.09 C ATOM 2183 O ALA A 139 7.147 -6.972 -1.345 1.00 1.64 O ATOM 2184 CB ALA A 139 5.595 -9.389 -1.444 1.00 1.18 C ATOM 0 H ALA A 139 5.897 -9.214 -3.873 1.00 0.76 H new ATOM 0 HA ALA A 139 4.177 -7.876 -1.955 1.00 0.92 H new ATOM 0 HB1 ALA A 139 5.532 -9.187 -0.375 1.00 1.18 H new ATOM 0 HB2 ALA A 139 4.917 -10.203 -1.700 1.00 1.18 H new ATOM 0 HB3 ALA A 139 6.616 -9.673 -1.700 1.00 1.18 H new ATOM 2190 N THR A 140 5.526 -5.697 -2.224 1.00 0.78 N ATOM 2191 CA THR A 140 6.226 -4.404 -2.098 1.00 0.74 C ATOM 2192 C THR A 140 5.249 -3.299 -1.707 1.00 0.80 C ATOM 2193 O THR A 140 4.079 -3.358 -2.096 1.00 1.03 O ATOM 2194 CB THR A 140 6.943 -4.107 -3.424 1.00 0.84 C ATOM 2195 OG1 THR A 140 7.973 -5.062 -3.560 1.00 1.29 O ATOM 2196 CG2 THR A 140 7.591 -2.728 -3.537 1.00 0.72 C ATOM 0 H THR A 140 4.593 -5.603 -2.625 1.00 0.78 H new ATOM 0 HA THR A 140 6.970 -4.451 -1.303 1.00 0.74 H new ATOM 0 HB THR A 140 6.176 -4.143 -4.197 1.00 0.84 H new ATOM 0 HG1 THR A 140 8.455 -4.906 -4.399 1.00 1.29 H new ATOM 0 HG21 THR A 140 8.067 -2.628 -4.513 1.00 0.72 H new ATOM 0 HG22 THR A 140 6.828 -1.957 -3.425 1.00 0.72 H new ATOM 0 HG23 THR A 140 8.341 -2.613 -2.754 1.00 0.72 H new ATOM 2204 N THR A 141 5.733 -2.289 -0.969 1.00 0.57 N ATOM 2205 CA THR A 141 5.012 -1.038 -0.707 1.00 0.47 C ATOM 2206 C THR A 141 5.532 0.056 -1.638 1.00 0.88 C ATOM 2207 O THR A 141 6.743 0.211 -1.805 1.00 0.92 O ATOM 2208 CB THR A 141 5.147 -0.592 0.758 1.00 0.58 C ATOM 2209 OG1 THR A 141 5.063 -1.691 1.636 1.00 1.04 O ATOM 2210 CG2 THR A 141 4.080 0.418 1.185 1.00 1.12 C ATOM 0 H THR A 141 6.653 -2.321 -0.530 1.00 0.57 H new ATOM 0 HA THR A 141 3.953 -1.215 -0.897 1.00 0.47 H new ATOM 0 HB THR A 141 6.126 -0.117 0.817 1.00 0.58 H new ATOM 0 HG1 THR A 141 5.154 -1.379 2.561 1.00 1.04 H new ATOM 0 HG21 THR A 141 4.234 0.690 2.229 1.00 1.12 H new ATOM 0 HG22 THR A 141 4.154 1.310 0.563 1.00 1.12 H new ATOM 0 HG23 THR A 141 3.091 -0.026 1.067 1.00 1.12 H new ATOM 2218 N PHE A 142 4.629 0.849 -2.213 1.00 0.73 N ATOM 2219 CA PHE A 142 4.938 1.934 -3.149 1.00 0.82 C ATOM 2220 C PHE A 142 4.550 3.282 -2.534 1.00 1.74 C ATOM 2221 O PHE A 142 3.414 3.449 -2.092 1.00 2.05 O ATOM 2222 CB PHE A 142 4.170 1.689 -4.459 1.00 0.87 C ATOM 2223 CG PHE A 142 4.550 0.414 -5.184 1.00 1.01 C ATOM 2224 CD1 PHE A 142 4.018 -0.819 -4.763 1.00 2.10 C ATOM 2225 CD2 PHE A 142 5.422 0.459 -6.285 1.00 2.21 C ATOM 2226 CE1 PHE A 142 4.385 -2.005 -5.418 1.00 2.05 C ATOM 2227 CE2 PHE A 142 5.789 -0.728 -6.941 1.00 2.22 C ATOM 2228 CZ PHE A 142 5.287 -1.961 -6.493 1.00 1.10 C ATOM 0 H PHE A 142 3.629 0.752 -2.036 1.00 0.73 H new ATOM 0 HA PHE A 142 6.008 1.955 -3.358 1.00 0.82 H new ATOM 0 HB2 PHE A 142 3.103 1.662 -4.239 1.00 0.87 H new ATOM 0 HB3 PHE A 142 4.337 2.534 -5.126 1.00 0.87 H new ATOM 0 HD1 PHE A 142 3.326 -0.853 -3.934 1.00 2.10 H new ATOM 0 HD2 PHE A 142 5.810 1.407 -6.627 1.00 2.21 H new ATOM 0 HE1 PHE A 142 3.974 -2.950 -5.095 1.00 2.05 H new ATOM 0 HE2 PHE A 142 6.457 -0.692 -7.789 1.00 2.22 H new ATOM 0 HZ PHE A 142 5.595 -2.876 -6.976 1.00 1.10 H new ATOM 2238 N VAL A 143 5.470 4.253 -2.501 1.00 0.86 N ATOM 2239 CA VAL A 143 5.282 5.514 -1.765 1.00 0.84 C ATOM 2240 C VAL A 143 5.174 6.691 -2.732 1.00 1.06 C ATOM 2241 O VAL A 143 6.121 7.061 -3.433 1.00 1.17 O ATOM 2242 CB VAL A 143 6.388 5.733 -0.718 1.00 0.94 C ATOM 2243 CG1 VAL A 143 6.134 6.994 0.124 1.00 1.00 C ATOM 2244 CG2 VAL A 143 6.466 4.518 0.215 1.00 1.29 C ATOM 0 H VAL A 143 6.367 4.189 -2.983 1.00 0.86 H new ATOM 0 HA VAL A 143 4.342 5.446 -1.217 1.00 0.84 H new ATOM 0 HB VAL A 143 7.328 5.862 -1.254 1.00 0.94 H new ATOM 0 HG11 VAL A 143 6.937 7.114 0.852 1.00 1.00 H new ATOM 0 HG12 VAL A 143 6.102 7.867 -0.528 1.00 1.00 H new ATOM 0 HG13 VAL A 143 5.182 6.897 0.647 1.00 1.00 H new ATOM 0 HG21 VAL A 143 7.250 4.677 0.955 1.00 1.29 H new ATOM 0 HG22 VAL A 143 5.510 4.387 0.722 1.00 1.29 H new ATOM 0 HG23 VAL A 143 6.693 3.625 -0.368 1.00 1.29 H new ATOM 2254 N VAL A 144 3.966 7.243 -2.762 1.00 0.91 N ATOM 2255 CA VAL A 144 3.511 8.235 -3.742 1.00 1.04 C ATOM 2256 C VAL A 144 3.231 9.568 -3.054 1.00 1.30 C ATOM 2257 O VAL A 144 2.277 9.680 -2.289 1.00 1.32 O ATOM 2258 CB VAL A 144 2.258 7.744 -4.505 1.00 1.07 C ATOM 2259 CG1 VAL A 144 1.742 8.790 -5.509 1.00 1.53 C ATOM 2260 CG2 VAL A 144 2.583 6.455 -5.276 1.00 2.21 C ATOM 0 H VAL A 144 3.246 7.006 -2.080 1.00 0.91 H new ATOM 0 HA VAL A 144 4.308 8.375 -4.472 1.00 1.04 H new ATOM 0 HB VAL A 144 1.484 7.565 -3.759 1.00 1.07 H new ATOM 0 HG11 VAL A 144 0.862 8.400 -6.020 1.00 1.53 H new ATOM 0 HG12 VAL A 144 1.478 9.705 -4.978 1.00 1.53 H new ATOM 0 HG13 VAL A 144 2.520 9.007 -6.241 1.00 1.53 H new ATOM 0 HG21 VAL A 144 1.695 6.117 -5.810 1.00 2.21 H new ATOM 0 HG22 VAL A 144 3.383 6.650 -5.990 1.00 2.21 H new ATOM 0 HG23 VAL A 144 2.901 5.683 -4.576 1.00 2.21 H new ATOM 2270 N LYS A 145 4.058 10.572 -3.354 1.00 1.27 N ATOM 2271 CA LYS A 145 3.952 11.952 -2.876 1.00 1.46 C ATOM 2272 C LYS A 145 3.717 12.896 -4.060 1.00 1.64 C ATOM 2273 O LYS A 145 4.453 12.824 -5.039 1.00 1.81 O ATOM 2274 CB LYS A 145 5.246 12.330 -2.124 1.00 1.73 C ATOM 2275 CG LYS A 145 5.252 13.759 -1.543 1.00 2.02 C ATOM 2276 CD LYS A 145 4.260 13.923 -0.383 1.00 1.53 C ATOM 2277 CE LYS A 145 3.434 15.205 -0.521 1.00 1.96 C ATOM 2278 NZ LYS A 145 4.126 16.372 0.059 1.00 1.88 N ATOM 0 H LYS A 145 4.861 10.437 -3.969 1.00 1.27 H new ATOM 0 HA LYS A 145 3.107 12.043 -2.193 1.00 1.46 H new ATOM 0 HB2 LYS A 145 5.400 11.620 -1.311 1.00 1.73 H new ATOM 0 HB3 LYS A 145 6.091 12.224 -2.804 1.00 1.73 H new ATOM 0 HG2 LYS A 145 6.256 14.003 -1.196 1.00 2.02 H new ATOM 0 HG3 LYS A 145 5.006 14.470 -2.332 1.00 2.02 H new ATOM 0 HD2 LYS A 145 3.593 13.062 -0.350 1.00 1.53 H new ATOM 0 HD3 LYS A 145 4.804 13.941 0.561 1.00 1.53 H new ATOM 0 HE2 LYS A 145 3.228 15.392 -1.575 1.00 1.96 H new ATOM 0 HE3 LYS A 145 2.472 15.071 -0.027 1.00 1.96 H new ATOM 0 HZ1 LYS A 145 3.674 16.632 0.959 1.00 1.88 H new ATOM 0 HZ2 LYS A 145 5.124 16.135 0.229 1.00 1.88 H new ATOM 0 HZ3 LYS A 145 4.068 17.173 -0.601 1.00 1.88 H new ATOM 2292 N GLU A 146 2.721 13.783 -3.981 1.00 1.50 N ATOM 2293 CA GLU A 146 2.507 14.844 -4.982 1.00 1.60 C ATOM 2294 C GLU A 146 2.070 14.264 -6.354 1.00 1.87 C ATOM 2295 O GLU A 146 2.523 14.677 -7.427 1.00 2.47 O ATOM 2296 CB GLU A 146 3.742 15.758 -5.070 1.00 1.64 C ATOM 2297 CG GLU A 146 3.345 17.228 -5.221 1.00 1.65 C ATOM 2298 CD GLU A 146 4.443 17.986 -5.949 1.00 1.99 C ATOM 2299 OE1 GLU A 146 5.628 17.801 -5.592 1.00 2.30 O ATOM 2300 OE2 GLU A 146 4.148 18.604 -6.993 1.00 2.75 O ATOM 0 H GLU A 146 2.038 13.790 -3.223 1.00 1.50 H new ATOM 0 HA GLU A 146 1.675 15.468 -4.655 1.00 1.60 H new ATOM 0 HB2 GLU A 146 4.351 15.635 -4.174 1.00 1.64 H new ATOM 0 HB3 GLU A 146 4.358 15.458 -5.918 1.00 1.64 H new ATOM 0 HG2 GLU A 146 2.409 17.306 -5.773 1.00 1.65 H new ATOM 0 HG3 GLU A 146 3.174 17.671 -4.240 1.00 1.65 H new ATOM 2307 N GLY A 147 1.237 13.217 -6.319 1.00 1.33 N ATOM 2308 CA GLY A 147 0.731 12.515 -7.505 1.00 1.29 C ATOM 2309 C GLY A 147 1.780 11.649 -8.218 1.00 1.22 C ATOM 2310 O GLY A 147 1.554 11.217 -9.350 1.00 1.26 O ATOM 0 H GLY A 147 0.888 12.825 -5.445 1.00 1.33 H new ATOM 0 HA2 GLY A 147 -0.106 11.883 -7.210 1.00 1.29 H new ATOM 0 HA3 GLY A 147 0.342 13.250 -8.210 1.00 1.29 H new ATOM 2314 N ARG A 148 2.953 11.418 -7.606 1.00 1.08 N ATOM 2315 CA ARG A 148 4.053 10.661 -8.213 1.00 1.06 C ATOM 2316 C ARG A 148 4.835 9.797 -7.219 1.00 1.30 C ATOM 2317 O ARG A 148 4.938 10.075 -6.027 1.00 1.50 O ATOM 2318 CB ARG A 148 4.959 11.618 -9.000 1.00 1.27 C ATOM 2319 CG ARG A 148 5.688 12.575 -8.081 1.00 1.78 C ATOM 2320 CD ARG A 148 6.407 13.659 -8.867 1.00 1.75 C ATOM 2321 NE ARG A 148 5.460 14.732 -9.212 1.00 2.06 N ATOM 2322 CZ ARG A 148 5.373 15.930 -8.650 1.00 2.20 C ATOM 2323 NH1 ARG A 148 6.320 16.437 -7.890 1.00 2.64 N ATOM 2324 NH2 ARG A 148 4.278 16.627 -8.820 1.00 2.82 N ATOM 0 H ARG A 148 3.163 11.756 -6.667 1.00 1.08 H new ATOM 0 HA ARG A 148 3.613 9.940 -8.902 1.00 1.06 H new ATOM 0 HB2 ARG A 148 5.683 11.043 -9.577 1.00 1.27 H new ATOM 0 HB3 ARG A 148 4.360 12.183 -9.714 1.00 1.27 H new ATOM 0 HG2 ARG A 148 4.978 13.033 -7.393 1.00 1.78 H new ATOM 0 HG3 ARG A 148 6.408 12.024 -7.476 1.00 1.78 H new ATOM 0 HD2 ARG A 148 7.231 14.063 -8.278 1.00 1.75 H new ATOM 0 HD3 ARG A 148 6.840 13.237 -9.774 1.00 1.75 H new ATOM 0 HE ARG A 148 4.800 14.533 -9.964 1.00 2.06 H new ATOM 0 HH11 ARG A 148 7.170 15.903 -7.710 1.00 2.64 H new ATOM 0 HH12 ARG A 148 6.204 17.364 -7.481 1.00 2.64 H new ATOM 0 HH21 ARG A 148 3.512 16.246 -9.376 1.00 2.82 H new ATOM 0 HH22 ARG A 148 4.190 17.551 -8.396 1.00 2.82 H new ATOM 2338 N LEU A 149 5.397 8.712 -7.734 1.00 0.94 N ATOM 2339 CA LEU A 149 6.146 7.698 -7.000 1.00 0.89 C ATOM 2340 C LEU A 149 7.541 8.244 -6.679 1.00 1.19 C ATOM 2341 O LEU A 149 8.360 8.376 -7.582 1.00 1.56 O ATOM 2342 CB LEU A 149 6.204 6.428 -7.874 1.00 0.90 C ATOM 2343 CG LEU A 149 6.906 5.226 -7.210 1.00 1.36 C ATOM 2344 CD1 LEU A 149 6.034 4.608 -6.112 1.00 1.48 C ATOM 2345 CD2 LEU A 149 7.217 4.158 -8.266 1.00 2.62 C ATOM 0 H LEU A 149 5.340 8.503 -8.731 1.00 0.94 H new ATOM 0 HA LEU A 149 5.668 7.447 -6.053 1.00 0.89 H new ATOM 0 HB2 LEU A 149 5.187 6.138 -8.139 1.00 0.90 H new ATOM 0 HB3 LEU A 149 6.720 6.666 -8.804 1.00 0.90 H new ATOM 0 HG LEU A 149 7.830 5.586 -6.757 1.00 1.36 H new ATOM 0 HD11 LEU A 149 6.557 3.763 -5.664 1.00 1.48 H new ATOM 0 HD12 LEU A 149 5.829 5.356 -5.346 1.00 1.48 H new ATOM 0 HD13 LEU A 149 5.094 4.265 -6.544 1.00 1.48 H new ATOM 0 HD21 LEU A 149 7.713 3.311 -7.792 1.00 2.62 H new ATOM 0 HD22 LEU A 149 6.289 3.823 -8.729 1.00 2.62 H new ATOM 0 HD23 LEU A 149 7.871 4.580 -9.029 1.00 2.62 H new ATOM 2357 N VAL A 150 7.801 8.551 -5.409 1.00 0.88 N ATOM 2358 CA VAL A 150 9.088 9.110 -4.933 1.00 1.05 C ATOM 2359 C VAL A 150 9.968 8.091 -4.191 1.00 1.26 C ATOM 2360 O VAL A 150 11.131 8.382 -3.913 1.00 1.39 O ATOM 2361 CB VAL A 150 8.874 10.356 -4.037 1.00 1.22 C ATOM 2362 CG1 VAL A 150 8.252 11.513 -4.836 1.00 1.85 C ATOM 2363 CG2 VAL A 150 8.009 10.054 -2.799 1.00 1.35 C ATOM 0 H VAL A 150 7.119 8.420 -4.661 1.00 0.88 H new ATOM 0 HA VAL A 150 9.620 9.399 -5.839 1.00 1.05 H new ATOM 0 HB VAL A 150 9.863 10.652 -3.686 1.00 1.22 H new ATOM 0 HG11 VAL A 150 8.113 12.374 -4.182 1.00 1.85 H new ATOM 0 HG12 VAL A 150 8.914 11.785 -5.658 1.00 1.85 H new ATOM 0 HG13 VAL A 150 7.287 11.202 -5.236 1.00 1.85 H new ATOM 0 HG21 VAL A 150 7.891 10.962 -2.207 1.00 1.35 H new ATOM 0 HG22 VAL A 150 7.029 9.699 -3.118 1.00 1.35 H new ATOM 0 HG23 VAL A 150 8.494 9.287 -2.195 1.00 1.35 H new ATOM 2373 N LEU A 151 9.417 6.908 -3.876 1.00 0.89 N ATOM 2374 CA LEU A 151 10.008 5.917 -2.976 1.00 0.75 C ATOM 2375 C LEU A 151 9.341 4.546 -3.124 1.00 1.19 C ATOM 2376 O LEU A 151 8.143 4.431 -3.411 1.00 1.43 O ATOM 2377 CB LEU A 151 9.885 6.416 -1.519 1.00 0.71 C ATOM 2378 CG LEU A 151 11.194 6.954 -0.926 1.00 0.78 C ATOM 2379 CD1 LEU A 151 10.875 8.046 0.084 1.00 1.05 C ATOM 2380 CD2 LEU A 151 11.991 5.825 -0.265 1.00 0.79 C ATOM 0 H LEU A 151 8.519 6.610 -4.256 1.00 0.89 H new ATOM 0 HA LEU A 151 11.059 5.797 -3.241 1.00 0.75 H new ATOM 0 HB2 LEU A 151 9.131 7.202 -1.478 1.00 0.71 H new ATOM 0 HB3 LEU A 151 9.526 5.597 -0.895 1.00 0.71 H new ATOM 0 HG LEU A 151 11.806 7.371 -1.726 1.00 0.78 H new ATOM 0 HD11 LEU A 151 11.802 8.431 0.508 1.00 1.05 H new ATOM 0 HD12 LEU A 151 10.339 8.855 -0.412 1.00 1.05 H new ATOM 0 HD13 LEU A 151 10.255 7.635 0.881 1.00 1.05 H new ATOM 0 HD21 LEU A 151 12.916 6.227 0.149 1.00 0.79 H new ATOM 0 HD22 LEU A 151 11.398 5.381 0.534 1.00 0.79 H new ATOM 0 HD23 LEU A 151 12.227 5.063 -1.008 1.00 0.79 H new ATOM 2392 N LEU A 152 10.131 3.510 -2.842 1.00 0.62 N ATOM 2393 CA LEU A 152 9.679 2.139 -2.605 1.00 0.60 C ATOM 2394 C LEU A 152 10.134 1.709 -1.210 1.00 1.13 C ATOM 2395 O LEU A 152 11.252 2.042 -0.806 1.00 1.16 O ATOM 2396 CB LEU A 152 10.305 1.190 -3.645 1.00 0.86 C ATOM 2397 CG LEU A 152 9.969 1.504 -5.114 1.00 1.02 C ATOM 2398 CD1 LEU A 152 10.816 0.618 -6.036 1.00 1.45 C ATOM 2399 CD2 LEU A 152 8.481 1.269 -5.393 1.00 1.12 C ATOM 0 H LEU A 152 11.144 3.607 -2.770 1.00 0.62 H new ATOM 0 HA LEU A 152 8.593 2.096 -2.686 1.00 0.60 H new ATOM 0 HB2 LEU A 152 11.388 1.211 -3.525 1.00 0.86 H new ATOM 0 HB3 LEU A 152 9.980 0.173 -3.425 1.00 0.86 H new ATOM 0 HG LEU A 152 10.194 2.553 -5.306 1.00 1.02 H new ATOM 0 HD11 LEU A 152 10.577 0.842 -7.076 1.00 1.45 H new ATOM 0 HD12 LEU A 152 11.873 0.813 -5.857 1.00 1.45 H new ATOM 0 HD13 LEU A 152 10.600 -0.431 -5.832 1.00 1.45 H new ATOM 0 HD21 LEU A 152 8.266 1.497 -6.437 1.00 1.12 H new ATOM 0 HD22 LEU A 152 8.233 0.227 -5.191 1.00 1.12 H new ATOM 0 HD23 LEU A 152 7.884 1.915 -4.750 1.00 1.12 H new ATOM 2411 N TYR A 153 9.312 0.919 -0.520 1.00 0.75 N ATOM 2412 CA TYR A 153 9.742 0.135 0.639 1.00 0.76 C ATOM 2413 C TYR A 153 9.624 -1.368 0.343 1.00 1.16 C ATOM 2414 O TYR A 153 8.545 -1.915 0.097 1.00 1.58 O ATOM 2415 CB TYR A 153 8.953 0.480 1.922 1.00 0.80 C ATOM 2416 CG TYR A 153 8.932 1.919 2.415 1.00 1.05 C ATOM 2417 CD1 TYR A 153 10.095 2.711 2.370 1.00 1.71 C ATOM 2418 CD2 TYR A 153 7.766 2.442 3.014 1.00 2.37 C ATOM 2419 CE1 TYR A 153 10.089 4.020 2.881 1.00 2.08 C ATOM 2420 CE2 TYR A 153 7.753 3.750 3.537 1.00 3.00 C ATOM 2421 CZ TYR A 153 8.916 4.550 3.466 1.00 2.45 C ATOM 2422 OH TYR A 153 8.891 5.816 3.961 1.00 3.30 O ATOM 0 H TYR A 153 8.325 0.804 -0.750 1.00 0.75 H new ATOM 0 HA TYR A 153 10.785 0.395 0.821 1.00 0.76 H new ATOM 0 HB2 TYR A 153 7.919 0.172 1.765 1.00 0.80 H new ATOM 0 HB3 TYR A 153 9.350 -0.137 2.728 1.00 0.80 H new ATOM 0 HD1 TYR A 153 11.000 2.309 1.939 1.00 1.71 H new ATOM 0 HD2 TYR A 153 6.875 1.834 3.072 1.00 2.37 H new ATOM 0 HE1 TYR A 153 10.983 4.623 2.827 1.00 2.08 H new ATOM 0 HE2 TYR A 153 6.855 4.141 3.992 1.00 3.00 H new ATOM 0 HH TYR A 153 9.615 6.339 3.557 1.00 3.30 H new ATOM 2432 N SER A 154 10.753 -2.066 0.441 1.00 1.10 N ATOM 2433 CA SER A 154 10.776 -3.491 0.794 1.00 1.27 C ATOM 2434 C SER A 154 10.145 -3.705 2.191 1.00 1.26 C ATOM 2435 O SER A 154 10.173 -2.766 2.997 1.00 1.34 O ATOM 2436 CB SER A 154 12.233 -3.986 0.832 1.00 1.69 C ATOM 2437 OG SER A 154 13.080 -3.360 -0.121 1.00 2.26 O ATOM 0 H SER A 154 11.677 -1.665 0.279 1.00 1.10 H new ATOM 0 HA SER A 154 10.207 -4.046 0.048 1.00 1.27 H new ATOM 0 HB2 SER A 154 12.638 -3.816 1.830 1.00 1.69 H new ATOM 0 HB3 SER A 154 12.245 -5.063 0.662 1.00 1.69 H new ATOM 0 HG SER A 154 13.988 -3.721 -0.039 1.00 2.26 H new ATOM 2443 N PRO A 155 9.624 -4.901 2.529 1.00 1.19 N ATOM 2444 CA PRO A 155 9.073 -5.158 3.858 1.00 1.25 C ATOM 2445 C PRO A 155 10.137 -4.997 4.951 1.00 1.57 C ATOM 2446 O PRO A 155 9.895 -4.315 5.938 1.00 1.46 O ATOM 2447 CB PRO A 155 8.480 -6.567 3.803 1.00 1.46 C ATOM 2448 CG PRO A 155 9.216 -7.242 2.645 1.00 1.55 C ATOM 2449 CD PRO A 155 9.517 -6.087 1.690 1.00 1.42 C ATOM 0 HA PRO A 155 8.301 -4.435 4.121 1.00 1.25 H new ATOM 0 HB2 PRO A 155 8.637 -7.102 4.740 1.00 1.46 H new ATOM 0 HB3 PRO A 155 7.404 -6.539 3.629 1.00 1.46 H new ATOM 0 HG2 PRO A 155 10.129 -7.732 2.982 1.00 1.55 H new ATOM 0 HG3 PRO A 155 8.601 -8.006 2.169 1.00 1.55 H new ATOM 0 HD2 PRO A 155 10.442 -6.263 1.141 1.00 1.42 H new ATOM 0 HD3 PRO A 155 8.724 -5.973 0.950 1.00 1.42 H new ATOM 2457 N ASP A 156 11.361 -5.490 4.736 1.00 1.50 N ATOM 2458 CA ASP A 156 12.482 -5.334 5.675 1.00 1.76 C ATOM 2459 C ASP A 156 12.990 -3.876 5.816 1.00 1.85 C ATOM 2460 O ASP A 156 13.861 -3.568 6.635 1.00 2.30 O ATOM 2461 CB ASP A 156 13.606 -6.277 5.219 1.00 2.08 C ATOM 2462 CG ASP A 156 14.275 -5.813 3.921 1.00 2.18 C ATOM 2463 OD1 ASP A 156 13.578 -5.698 2.889 1.00 1.96 O ATOM 2464 OD2 ASP A 156 15.486 -5.495 3.982 1.00 3.64 O ATOM 0 H ASP A 156 11.606 -6.015 3.896 1.00 1.50 H new ATOM 0 HA ASP A 156 12.131 -5.595 6.673 1.00 1.76 H new ATOM 0 HB2 ASP A 156 14.357 -6.347 6.005 1.00 2.08 H new ATOM 0 HB3 ASP A 156 13.199 -7.278 5.076 1.00 2.08 H new ATOM 2469 N LYS A 157 12.474 -2.954 4.996 1.00 1.42 N ATOM 2470 CA LYS A 157 12.568 -1.501 5.191 1.00 1.39 C ATOM 2471 C LYS A 157 11.319 -0.966 5.928 1.00 1.52 C ATOM 2472 O LYS A 157 11.460 -0.322 6.967 1.00 1.62 O ATOM 2473 CB LYS A 157 12.796 -0.795 3.835 1.00 1.34 C ATOM 2474 CG LYS A 157 13.983 -1.335 3.014 1.00 1.61 C ATOM 2475 CD LYS A 157 15.379 -1.026 3.583 1.00 2.26 C ATOM 2476 CE LYS A 157 16.274 -2.267 3.648 1.00 2.55 C ATOM 2477 NZ LYS A 157 16.023 -3.069 4.862 1.00 3.51 N ATOM 0 H LYS A 157 11.962 -3.206 4.150 1.00 1.42 H new ATOM 0 HA LYS A 157 13.428 -1.280 5.824 1.00 1.39 H new ATOM 0 HB2 LYS A 157 11.889 -0.886 3.238 1.00 1.34 H new ATOM 0 HB3 LYS A 157 12.953 0.268 4.017 1.00 1.34 H new ATOM 0 HG2 LYS A 157 13.878 -2.416 2.924 1.00 1.61 H new ATOM 0 HG3 LYS A 157 13.922 -0.924 2.006 1.00 1.61 H new ATOM 0 HD2 LYS A 157 15.860 -0.267 2.965 1.00 2.26 H new ATOM 0 HD3 LYS A 157 15.275 -0.604 4.583 1.00 2.26 H new ATOM 0 HE2 LYS A 157 16.104 -2.883 2.765 1.00 2.55 H new ATOM 0 HE3 LYS A 157 17.320 -1.961 3.626 1.00 2.55 H new ATOM 0 HZ1 LYS A 157 16.852 -3.019 5.488 1.00 3.51 H new ATOM 0 HZ2 LYS A 157 15.190 -2.694 5.359 1.00 3.51 H new ATOM 0 HZ3 LYS A 157 15.850 -4.059 4.594 1.00 3.51 H new ATOM 2491 N ALA A 158 10.115 -1.290 5.441 1.00 1.10 N ATOM 2492 CA ALA A 158 8.815 -0.871 5.979 1.00 0.94 C ATOM 2493 C ALA A 158 8.601 -1.241 7.460 1.00 1.17 C ATOM 2494 O ALA A 158 8.016 -0.466 8.214 1.00 1.22 O ATOM 2495 CB ALA A 158 7.708 -1.492 5.115 1.00 0.79 C ATOM 0 H ALA A 158 10.016 -1.883 4.617 1.00 1.10 H new ATOM 0 HA ALA A 158 8.785 0.218 5.942 1.00 0.94 H new ATOM 0 HB1 ALA A 158 6.734 -1.191 5.500 1.00 0.79 H new ATOM 0 HB2 ALA A 158 7.813 -1.148 4.086 1.00 0.79 H new ATOM 0 HB3 ALA A 158 7.790 -2.579 5.144 1.00 0.79 H new ATOM 2501 N GLU A 159 9.096 -2.401 7.893 1.00 1.01 N ATOM 2502 CA GLU A 159 8.880 -2.905 9.253 1.00 1.01 C ATOM 2503 C GLU A 159 9.688 -2.130 10.316 1.00 1.35 C ATOM 2504 O GLU A 159 9.374 -2.166 11.505 1.00 1.51 O ATOM 2505 CB GLU A 159 9.064 -4.438 9.264 1.00 1.03 C ATOM 2506 CG GLU A 159 7.905 -5.037 8.444 1.00 1.38 C ATOM 2507 CD GLU A 159 7.846 -6.554 8.294 1.00 1.59 C ATOM 2508 OE1 GLU A 159 8.791 -7.246 8.729 1.00 2.24 O ATOM 2509 OE2 GLU A 159 6.817 -6.994 7.724 1.00 2.44 O ATOM 0 H GLU A 159 9.660 -3.020 7.310 1.00 1.01 H new ATOM 0 HA GLU A 159 7.850 -2.713 9.555 1.00 1.01 H new ATOM 0 HB2 GLU A 159 10.026 -4.714 8.831 1.00 1.03 H new ATOM 0 HB3 GLU A 159 9.052 -4.820 10.285 1.00 1.03 H new ATOM 0 HG2 GLU A 159 6.970 -4.709 8.898 1.00 1.38 H new ATOM 0 HG3 GLU A 159 7.943 -4.603 7.445 1.00 1.38 H new ATOM 2516 N ALA A 160 10.675 -1.324 9.905 1.00 1.13 N ATOM 2517 CA ALA A 160 11.437 -0.445 10.793 1.00 1.12 C ATOM 2518 C ALA A 160 10.704 0.893 11.049 1.00 1.34 C ATOM 2519 O ALA A 160 11.083 1.934 10.495 1.00 1.31 O ATOM 2520 CB ALA A 160 12.846 -0.268 10.218 1.00 1.14 C ATOM 0 H ALA A 160 10.969 -1.265 8.930 1.00 1.13 H new ATOM 0 HA ALA A 160 11.527 -0.903 11.778 1.00 1.12 H new ATOM 0 HB1 ALA A 160 13.426 0.385 10.870 1.00 1.14 H new ATOM 0 HB2 ALA A 160 13.336 -1.239 10.149 1.00 1.14 H new ATOM 0 HB3 ALA A 160 12.780 0.176 9.225 1.00 1.14 H new ATOM 2526 N THR A 161 9.681 0.852 11.920 1.00 1.15 N ATOM 2527 CA THR A 161 8.762 1.969 12.253 1.00 1.18 C ATOM 2528 C THR A 161 9.432 3.343 12.264 1.00 1.28 C ATOM 2529 O THR A 161 9.069 4.195 11.458 1.00 1.46 O ATOM 2530 CB THR A 161 8.054 1.721 13.598 1.00 1.28 C ATOM 2531 OG1 THR A 161 7.140 0.658 13.465 1.00 1.34 O ATOM 2532 CG2 THR A 161 7.215 2.911 14.069 1.00 1.39 C ATOM 0 H THR A 161 9.457 0.003 12.438 1.00 1.15 H new ATOM 0 HA THR A 161 8.028 1.987 11.447 1.00 1.18 H new ATOM 0 HB THR A 161 8.853 1.522 14.313 1.00 1.28 H new ATOM 0 HG1 THR A 161 6.693 0.502 14.323 1.00 1.34 H new ATOM 0 HG21 THR A 161 6.744 2.670 15.022 1.00 1.39 H new ATOM 0 HG22 THR A 161 7.857 3.783 14.192 1.00 1.39 H new ATOM 0 HG23 THR A 161 6.445 3.129 13.329 1.00 1.39 H new ATOM 2540 N ASP A 162 10.417 3.592 13.131 1.00 1.33 N ATOM 2541 CA ASP A 162 10.969 4.947 13.324 1.00 1.45 C ATOM 2542 C ASP A 162 11.671 5.457 12.067 1.00 1.69 C ATOM 2543 O ASP A 162 11.677 6.650 11.788 1.00 1.75 O ATOM 2544 CB ASP A 162 11.986 5.003 14.477 1.00 1.63 C ATOM 2545 CG ASP A 162 11.772 3.910 15.506 1.00 1.58 C ATOM 2546 OD1 ASP A 162 12.318 2.810 15.251 1.00 2.39 O ATOM 2547 OD2 ASP A 162 11.035 4.164 16.483 1.00 2.52 O ATOM 0 H ASP A 162 10.853 2.877 13.713 1.00 1.33 H new ATOM 0 HA ASP A 162 10.111 5.577 13.559 1.00 1.45 H new ATOM 0 HB2 ASP A 162 12.994 4.920 14.070 1.00 1.63 H new ATOM 0 HB3 ASP A 162 11.919 5.974 14.967 1.00 1.63 H new ATOM 2552 N ARG A 163 12.264 4.531 11.316 1.00 1.41 N ATOM 2553 CA ARG A 163 12.953 4.805 10.067 1.00 1.35 C ATOM 2554 C ARG A 163 11.924 5.131 8.983 1.00 1.27 C ATOM 2555 O ARG A 163 12.105 6.117 8.287 1.00 1.51 O ATOM 2556 CB ARG A 163 13.883 3.639 9.703 1.00 1.51 C ATOM 2557 CG ARG A 163 15.132 3.505 10.598 1.00 2.00 C ATOM 2558 CD ARG A 163 14.854 3.406 12.109 1.00 2.53 C ATOM 2559 NE ARG A 163 16.060 3.058 12.872 1.00 2.92 N ATOM 2560 CZ ARG A 163 16.096 2.571 14.110 1.00 4.18 C ATOM 2561 NH1 ARG A 163 15.021 2.339 14.839 1.00 5.33 N ATOM 2562 NH2 ARG A 163 17.263 2.305 14.656 1.00 4.72 N ATOM 0 H ARG A 163 12.276 3.543 11.571 1.00 1.41 H new ATOM 0 HA ARG A 163 13.596 5.679 10.169 1.00 1.35 H new ATOM 0 HB2 ARG A 163 13.315 2.710 9.754 1.00 1.51 H new ATOM 0 HB3 ARG A 163 14.205 3.759 8.669 1.00 1.51 H new ATOM 0 HG2 ARG A 163 15.686 2.619 10.289 1.00 2.00 H new ATOM 0 HG3 ARG A 163 15.779 4.364 10.420 1.00 2.00 H new ATOM 0 HD2 ARG A 163 14.461 4.357 12.468 1.00 2.53 H new ATOM 0 HD3 ARG A 163 14.084 2.655 12.287 1.00 2.53 H new ATOM 0 HE ARG A 163 16.957 3.204 12.408 1.00 2.92 H new ATOM 0 HH11 ARG A 163 14.095 2.534 14.459 1.00 5.33 H new ATOM 0 HH12 ARG A 163 15.116 1.964 15.783 1.00 5.33 H new ATOM 0 HH21 ARG A 163 18.122 2.473 14.131 1.00 4.72 H new ATOM 0 HH22 ARG A 163 17.309 1.931 15.604 1.00 4.72 H new ATOM 2576 N VAL A 164 10.796 4.409 8.923 1.00 1.04 N ATOM 2577 CA VAL A 164 9.655 4.812 8.074 1.00 0.96 C ATOM 2578 C VAL A 164 9.119 6.188 8.483 1.00 1.15 C ATOM 2579 O VAL A 164 8.882 7.016 7.612 1.00 1.21 O ATOM 2580 CB VAL A 164 8.525 3.761 8.071 1.00 0.90 C ATOM 2581 CG1 VAL A 164 7.206 4.261 7.450 1.00 0.91 C ATOM 2582 CG2 VAL A 164 8.992 2.531 7.287 1.00 1.12 C ATOM 0 H VAL A 164 10.645 3.547 9.447 1.00 1.04 H new ATOM 0 HA VAL A 164 10.032 4.880 7.054 1.00 0.96 H new ATOM 0 HB VAL A 164 8.317 3.529 9.116 1.00 0.90 H new ATOM 0 HG11 VAL A 164 6.462 3.465 7.485 1.00 0.91 H new ATOM 0 HG12 VAL A 164 6.843 5.122 8.011 1.00 0.91 H new ATOM 0 HG13 VAL A 164 7.379 4.550 6.413 1.00 0.91 H new ATOM 0 HG21 VAL A 164 8.200 1.782 7.279 1.00 1.12 H new ATOM 0 HG22 VAL A 164 9.228 2.820 6.263 1.00 1.12 H new ATOM 0 HG23 VAL A 164 9.881 2.114 7.760 1.00 1.12 H new ATOM 2592 N VAL A 165 8.989 6.471 9.785 1.00 1.01 N ATOM 2593 CA VAL A 165 8.599 7.815 10.253 1.00 1.07 C ATOM 2594 C VAL A 165 9.590 8.890 9.762 1.00 1.22 C ATOM 2595 O VAL A 165 9.149 9.926 9.272 1.00 1.42 O ATOM 2596 CB VAL A 165 8.417 7.853 11.790 1.00 1.20 C ATOM 2597 CG1 VAL A 165 8.258 9.276 12.350 1.00 1.35 C ATOM 2598 CG2 VAL A 165 7.194 7.030 12.208 1.00 1.51 C ATOM 0 H VAL A 165 9.146 5.795 10.532 1.00 1.01 H new ATOM 0 HA VAL A 165 7.629 8.048 9.814 1.00 1.07 H new ATOM 0 HB VAL A 165 9.331 7.429 12.205 1.00 1.20 H new ATOM 0 HG11 VAL A 165 8.135 9.230 13.432 1.00 1.35 H new ATOM 0 HG12 VAL A 165 9.145 9.862 12.111 1.00 1.35 H new ATOM 0 HG13 VAL A 165 7.381 9.746 11.905 1.00 1.35 H new ATOM 0 HG21 VAL A 165 7.082 7.069 13.292 1.00 1.51 H new ATOM 0 HG22 VAL A 165 6.301 7.440 11.736 1.00 1.51 H new ATOM 0 HG23 VAL A 165 7.327 5.995 11.894 1.00 1.51 H new ATOM 2608 N ALA A 166 10.904 8.652 9.859 1.00 1.05 N ATOM 2609 CA ALA A 166 11.972 9.566 9.421 1.00 1.05 C ATOM 2610 C ALA A 166 12.083 9.745 7.891 1.00 1.19 C ATOM 2611 O ALA A 166 12.370 10.849 7.426 1.00 1.31 O ATOM 2612 CB ALA A 166 13.291 9.037 9.997 1.00 1.09 C ATOM 0 H ALA A 166 11.268 7.787 10.259 1.00 1.05 H new ATOM 0 HA ALA A 166 11.730 10.562 9.793 1.00 1.05 H new ATOM 0 HB1 ALA A 166 14.109 9.690 9.693 1.00 1.09 H new ATOM 0 HB2 ALA A 166 13.230 9.015 11.085 1.00 1.09 H new ATOM 0 HB3 ALA A 166 13.473 8.030 9.623 1.00 1.09 H new ATOM 2618 N ASP A 167 11.811 8.691 7.120 1.00 0.94 N ATOM 2619 CA ASP A 167 11.824 8.683 5.661 1.00 0.98 C ATOM 2620 C ASP A 167 10.595 9.441 5.133 1.00 1.33 C ATOM 2621 O ASP A 167 10.723 10.300 4.258 1.00 1.34 O ATOM 2622 CB ASP A 167 11.862 7.196 5.263 1.00 1.10 C ATOM 2623 CG ASP A 167 12.046 6.916 3.779 1.00 1.29 C ATOM 2624 OD1 ASP A 167 11.072 7.162 3.045 1.00 2.37 O ATOM 2625 OD2 ASP A 167 13.094 6.337 3.404 1.00 1.89 O ATOM 0 H ASP A 167 11.566 7.783 7.514 1.00 0.94 H new ATOM 0 HA ASP A 167 12.682 9.195 5.225 1.00 0.98 H new ATOM 0 HB2 ASP A 167 12.673 6.713 5.809 1.00 1.10 H new ATOM 0 HB3 ASP A 167 10.934 6.727 5.590 1.00 1.10 H new ATOM 2630 N LEU A 168 9.421 9.232 5.752 1.00 1.04 N ATOM 2631 CA LEU A 168 8.191 9.988 5.471 1.00 1.17 C ATOM 2632 C LEU A 168 8.303 11.463 5.882 1.00 1.57 C ATOM 2633 O LEU A 168 7.771 12.327 5.186 1.00 1.81 O ATOM 2634 CB LEU A 168 6.987 9.333 6.175 1.00 1.25 C ATOM 2635 CG LEU A 168 6.554 7.954 5.630 1.00 1.32 C ATOM 2636 CD1 LEU A 168 5.462 7.385 6.548 1.00 1.51 C ATOM 2637 CD2 LEU A 168 6.019 8.026 4.196 1.00 1.74 C ATOM 0 H LEU A 168 9.299 8.521 6.473 1.00 1.04 H new ATOM 0 HA LEU A 168 8.040 9.962 4.392 1.00 1.17 H new ATOM 0 HB2 LEU A 168 7.224 9.225 7.233 1.00 1.25 H new ATOM 0 HB3 LEU A 168 6.137 10.012 6.106 1.00 1.25 H new ATOM 0 HG LEU A 168 7.434 7.311 5.613 1.00 1.32 H new ATOM 0 HD11 LEU A 168 5.145 6.411 6.176 1.00 1.51 H new ATOM 0 HD12 LEU A 168 5.856 7.277 7.559 1.00 1.51 H new ATOM 0 HD13 LEU A 168 4.609 8.063 6.562 1.00 1.51 H new ATOM 0 HD21 LEU A 168 5.730 7.029 3.865 1.00 1.74 H new ATOM 0 HD22 LEU A 168 5.151 8.685 4.164 1.00 1.74 H new ATOM 0 HD23 LEU A 168 6.795 8.416 3.537 1.00 1.74 H new ATOM 2649 N GLN A 169 9.016 11.773 6.970 1.00 1.15 N ATOM 2650 CA GLN A 169 9.318 13.143 7.401 1.00 1.24 C ATOM 2651 C GLN A 169 10.096 13.972 6.372 1.00 1.59 C ATOM 2652 O GLN A 169 10.139 15.194 6.491 1.00 1.65 O ATOM 2653 CB GLN A 169 10.106 13.117 8.721 1.00 1.30 C ATOM 2654 CG GLN A 169 9.192 13.118 9.950 1.00 1.49 C ATOM 2655 CD GLN A 169 9.989 13.239 11.252 1.00 1.55 C ATOM 2656 OE1 GLN A 169 9.759 12.390 12.230 1.00 2.88 O flip ATOM 2657 NE2 GLN A 169 10.837 14.097 11.421 1.00 1.83 N flip ATOM 0 H GLN A 169 9.408 11.063 7.589 1.00 1.15 H new ATOM 0 HA GLN A 169 8.351 13.630 7.527 1.00 1.24 H new ATOM 0 HB2 GLN A 169 10.740 12.231 8.744 1.00 1.30 H new ATOM 0 HB3 GLN A 169 10.767 13.983 8.763 1.00 1.30 H new ATOM 0 HG2 GLN A 169 8.487 13.946 9.878 1.00 1.49 H new ATOM 0 HG3 GLN A 169 8.605 12.200 9.967 1.00 1.49 H new ATOM 0 HE21 GLN A 169 11.037 14.769 10.680 1.00 1.83 H new ATOM 0 HE22 GLN A 169 11.347 14.143 12.303 1.00 1.83 H new ATOM 2666 N ALA A 170 10.754 13.355 5.390 1.00 1.31 N ATOM 2667 CA ALA A 170 11.330 14.072 4.257 1.00 1.40 C ATOM 2668 C ALA A 170 10.329 14.565 3.207 1.00 1.53 C ATOM 2669 O ALA A 170 10.693 15.388 2.369 1.00 1.77 O ATOM 2670 CB ALA A 170 12.331 13.137 3.595 1.00 1.52 C ATOM 0 H ALA A 170 10.901 12.346 5.359 1.00 1.31 H new ATOM 0 HA ALA A 170 11.782 14.980 4.656 1.00 1.40 H new ATOM 0 HB1 ALA A 170 12.786 13.637 2.740 1.00 1.52 H new ATOM 0 HB2 ALA A 170 13.106 12.867 4.312 1.00 1.52 H new ATOM 0 HB3 ALA A 170 11.819 12.236 3.258 1.00 1.52 H new ATOM 2676 N LEU A 171 9.129 13.988 3.173 1.00 1.39 N ATOM 2677 CA LEU A 171 8.213 14.086 2.029 1.00 1.45 C ATOM 2678 C LEU A 171 7.030 15.014 2.315 1.00 1.81 C ATOM 2679 O LEU A 171 6.444 15.564 1.383 1.00 2.19 O ATOM 2680 CB LEU A 171 7.678 12.669 1.698 1.00 1.44 C ATOM 2681 CG LEU A 171 8.728 11.537 1.655 1.00 1.22 C ATOM 2682 CD1 LEU A 171 8.042 10.190 1.405 1.00 1.42 C ATOM 2683 CD2 LEU A 171 9.814 11.791 0.598 1.00 1.57 C ATOM 0 H LEU A 171 8.758 13.433 3.944 1.00 1.39 H new ATOM 0 HA LEU A 171 8.766 14.505 1.188 1.00 1.45 H new ATOM 0 HB2 LEU A 171 6.922 12.407 2.438 1.00 1.44 H new ATOM 0 HB3 LEU A 171 7.177 12.709 0.731 1.00 1.44 H new ATOM 0 HG LEU A 171 9.224 11.515 2.625 1.00 1.22 H new ATOM 0 HD11 LEU A 171 8.792 9.399 1.377 1.00 1.42 H new ATOM 0 HD12 LEU A 171 7.333 9.989 2.208 1.00 1.42 H new ATOM 0 HD13 LEU A 171 7.513 10.222 0.453 1.00 1.42 H new ATOM 0 HD21 LEU A 171 10.529 10.968 0.606 1.00 1.57 H new ATOM 0 HD22 LEU A 171 9.353 11.862 -0.387 1.00 1.57 H new ATOM 0 HD23 LEU A 171 10.331 12.723 0.825 1.00 1.57 H new ATOM 2695 N LEU A 172 6.648 15.097 3.594 1.00 1.45 N ATOM 2696 CA LEU A 172 5.234 15.139 4.039 1.00 1.59 C ATOM 2697 C LEU A 172 4.376 16.383 3.727 1.00 1.89 C ATOM 2698 O LEU A 172 3.651 16.316 2.713 1.00 2.56 O ATOM 2699 CB LEU A 172 5.072 14.501 5.428 1.00 2.24 C ATOM 2700 CG LEU A 172 5.415 15.355 6.639 1.00 1.74 C ATOM 2701 CD1 LEU A 172 5.334 14.462 7.875 1.00 2.59 C ATOM 2702 CD2 LEU A 172 6.798 15.953 6.483 1.00 2.80 C ATOM 2703 OXT LEU A 172 4.272 17.303 4.561 1.00 2.49 O ATOM 0 H LEU A 172 7.314 15.138 4.366 1.00 1.45 H new ATOM 0 HA LEU A 172 4.716 14.496 3.327 1.00 1.59 H new ATOM 0 HB2 LEU A 172 4.037 14.175 5.529 1.00 2.24 H new ATOM 0 HB3 LEU A 172 5.693 13.606 5.461 1.00 2.24 H new ATOM 0 HG LEU A 172 4.715 16.184 6.738 1.00 1.74 H new ATOM 0 HD11 LEU A 172 5.575 15.047 8.763 1.00 2.59 H new ATOM 0 HD12 LEU A 172 4.325 14.060 7.968 1.00 2.59 H new ATOM 0 HD13 LEU A 172 6.044 13.641 7.778 1.00 2.59 H new ATOM 0 HD21 LEU A 172 7.032 16.562 7.356 1.00 2.80 H new ATOM 0 HD22 LEU A 172 7.532 15.153 6.392 1.00 2.80 H new ATOM 0 HD23 LEU A 172 6.827 16.575 5.589 1.00 2.80 H new