USER MOD reduce.3.24.130724 H: found=0, std=0, add=1240, rem=0, adj=33 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 154 SER OG : rot 74:sc= 1.95 USER MOD Set 1.2: A 157 LYS NZ :NH3+ -111:sc= 2.07 (180deg=-0.371) USER MOD Set 2.1: A 79 SER OG : rot 150:sc= 0.0614 USER MOD Set 2.2: A 105 SER OG : rot 169:sc= 1.17 USER MOD Set 3.1: A 98 HIS : no HE2:sc= -0.666 K(o=1.3,f=-9.1!) USER MOD Set 3.2: A 100 SER OG : rot 173:sc= 1.94 USER MOD Set 4.1: A 47 CYS SG : rot 153:sc= 0.544 USER MOD Set 4.2: A 51 CYS SG : rot 165:sc= 1.34 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 81:sc= 0.79 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= 2.14 (180deg=1.39) USER MOD Single : A 25 GLN : amide:sc= 0.589 K(o=0.59,f=-0.044) USER MOD Single : A 31 SER OG : rot -86:sc= 1.31 USER MOD Single : A 32 GLN : amide:sc= -0.206 X(o=-0.21,f=-0.13) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 2.42 (180deg=1.99) USER MOD Single : A 45 THR OG1 : rot -136:sc= 1.12 USER MOD Single : A 53 THR OG1 : rot 86:sc= 1.25 USER MOD Single : A 54 THR OG1 : rot -40:sc= 1.19 USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= 2.06 (180deg=1.68) USER MOD Single : A 62 TYR OH : rot 40:sc= -0.103 USER MOD Single : A 64 LYS NZ :NH3+ 145:sc= 2.19 (180deg=-0.272) USER MOD Single : A 68 LYS NZ :NH3+ -141:sc= 1.17 (180deg=-0.467!) USER MOD Single : A 70 GLN : amide:sc= 0.775 K(o=0.78,f=-0.31) USER MOD Single : A 74 GLN : amide:sc= 0.057 K(o=0.057,f=-4.9!) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.198 USER MOD Single : A 95 LYS NZ :NH3+ -170:sc= 0.947 (180deg=0.581) USER MOD Single : A 107 SER OG : rot -66:sc= 1.27 USER MOD Single : A 116 GLN : amide:sc= -0.248 K(o=-0.25,f=-1.2) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 130:sc= 0 USER MOD Single : A 123 GLN : amide:sc= -0.0082 X(o=-0.0082,f=-0.41) USER MOD Single : A 124 LYS NZ :NH3+ -163:sc= 0.628 (180deg=-0.375!) USER MOD Single : A 137 HIS : no HE2:sc= -2.75! C(o=-2.8!,f=-3.8!) USER MOD Single : A 138 THR OG1 : rot -99:sc= 1.52 USER MOD Single : A 140 THR OG1 : rot 180:sc=-0.000179 USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -177:sc= 0.289 (180deg=0.226) USER MOD Single : A 153 TYR OH : rot -26:sc= 1.06 USER MOD Single : A 161 THR OG1 : rot 180:sc= 0 USER MOD Single : A 169 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 89 N TYR A 7 15.518 5.768 5.677 1.00 2.13 N ATOM 90 CA TYR A 7 15.699 4.340 5.354 1.00 2.03 C ATOM 91 C TYR A 7 14.963 3.870 4.085 1.00 2.05 C ATOM 92 O TYR A 7 15.215 2.759 3.611 1.00 2.02 O ATOM 93 CB TYR A 7 15.285 3.500 6.574 1.00 2.21 C ATOM 94 CG TYR A 7 15.784 2.061 6.569 1.00 1.71 C ATOM 95 CD1 TYR A 7 17.170 1.807 6.593 1.00 2.71 C ATOM 96 CD2 TYR A 7 14.880 0.980 6.552 1.00 2.28 C ATOM 97 CE1 TYR A 7 17.657 0.485 6.560 1.00 3.22 C ATOM 98 CE2 TYR A 7 15.359 -0.346 6.526 1.00 2.27 C ATOM 99 CZ TYR A 7 16.750 -0.598 6.512 1.00 2.45 C ATOM 100 OH TYR A 7 17.212 -1.880 6.444 1.00 3.28 O ATOM 0 HA TYR A 7 16.755 4.198 5.125 1.00 2.03 H new ATOM 0 HB2 TYR A 7 15.651 3.992 7.475 1.00 2.21 H new ATOM 0 HB3 TYR A 7 14.197 3.490 6.636 1.00 2.21 H new ATOM 0 HD1 TYR A 7 17.865 2.633 6.637 1.00 2.71 H new ATOM 0 HD2 TYR A 7 13.816 1.168 6.559 1.00 2.28 H new ATOM 0 HE1 TYR A 7 18.721 0.300 6.571 1.00 3.22 H new ATOM 0 HE2 TYR A 7 14.662 -1.171 6.517 1.00 2.27 H new ATOM 0 HH TYR A 7 16.454 -2.500 6.419 1.00 3.28 H new ATOM 110 N GLY A 8 14.060 4.677 3.527 1.00 1.93 N ATOM 111 CA GLY A 8 13.347 4.375 2.290 1.00 1.93 C ATOM 112 C GLY A 8 14.213 4.560 1.046 1.00 1.89 C ATOM 113 O GLY A 8 15.206 5.290 1.047 1.00 2.15 O ATOM 0 H GLY A 8 13.800 5.576 3.932 1.00 1.93 H new ATOM 0 HA2 GLY A 8 12.986 3.347 2.326 1.00 1.93 H new ATOM 0 HA3 GLY A 8 12.470 5.018 2.215 1.00 1.93 H new ATOM 117 N THR A 9 13.795 3.930 -0.059 1.00 1.62 N ATOM 118 CA THR A 9 14.463 4.045 -1.367 1.00 1.55 C ATOM 119 C THR A 9 14.173 5.419 -1.960 1.00 1.69 C ATOM 120 O THR A 9 13.188 5.611 -2.682 1.00 1.60 O ATOM 121 CB THR A 9 14.029 2.954 -2.350 1.00 1.63 C ATOM 122 OG1 THR A 9 13.789 1.736 -1.690 1.00 1.95 O ATOM 123 CG2 THR A 9 15.071 2.728 -3.442 1.00 1.66 C ATOM 0 H THR A 9 12.977 3.321 -0.073 1.00 1.62 H new ATOM 0 HA THR A 9 15.533 3.917 -1.202 1.00 1.55 H new ATOM 0 HB THR A 9 13.105 3.305 -2.810 1.00 1.63 H new ATOM 0 HG1 THR A 9 12.897 1.754 -1.285 1.00 1.95 H new ATOM 0 HG21 THR A 9 14.725 1.947 -4.119 1.00 1.66 H new ATOM 0 HG22 THR A 9 15.219 3.652 -4.000 1.00 1.66 H new ATOM 0 HG23 THR A 9 16.014 2.424 -2.988 1.00 1.66 H new ATOM 131 N ARG A 10 15.007 6.404 -1.638 1.00 1.52 N ATOM 132 CA ARG A 10 14.874 7.747 -2.205 1.00 1.40 C ATOM 133 C ARG A 10 15.112 7.712 -3.710 1.00 1.50 C ATOM 134 O ARG A 10 16.004 7.042 -4.225 1.00 1.67 O ATOM 135 CB ARG A 10 15.781 8.774 -1.521 1.00 1.45 C ATOM 136 CG ARG A 10 15.035 9.620 -0.477 1.00 2.13 C ATOM 137 CD ARG A 10 13.900 10.533 -0.970 1.00 2.34 C ATOM 138 NE ARG A 10 14.408 11.533 -1.928 1.00 2.21 N ATOM 139 CZ ARG A 10 14.023 11.688 -3.190 1.00 2.97 C ATOM 140 NH1 ARG A 10 12.943 11.116 -3.677 1.00 3.92 N ATOM 141 NH2 ARG A 10 14.746 12.411 -4.020 1.00 3.74 N ATOM 0 H ARG A 10 15.784 6.299 -0.986 1.00 1.52 H new ATOM 0 HA ARG A 10 13.852 8.076 -2.018 1.00 1.40 H new ATOM 0 HB2 ARG A 10 16.610 8.256 -1.038 1.00 1.45 H new ATOM 0 HB3 ARG A 10 16.212 9.432 -2.276 1.00 1.45 H new ATOM 0 HG2 ARG A 10 14.619 8.942 0.268 1.00 2.13 H new ATOM 0 HG3 ARG A 10 15.768 10.244 0.034 1.00 2.13 H new ATOM 0 HD2 ARG A 10 13.124 9.932 -1.443 1.00 2.34 H new ATOM 0 HD3 ARG A 10 13.439 11.038 -0.121 1.00 2.34 H new ATOM 0 HE ARG A 10 15.128 12.170 -1.587 1.00 2.21 H new ATOM 0 HH11 ARG A 10 12.364 10.526 -3.079 1.00 3.92 H new ATOM 0 HH12 ARG A 10 12.684 11.262 -4.653 1.00 3.92 H new ATOM 0 HH21 ARG A 10 15.605 12.854 -3.695 1.00 3.74 H new ATOM 0 HH22 ARG A 10 14.447 12.528 -4.988 1.00 3.74 H new ATOM 155 N LEU A 11 14.273 8.458 -4.421 1.00 1.36 N ATOM 156 CA LEU A 11 14.156 8.367 -5.885 1.00 1.24 C ATOM 157 C LEU A 11 14.800 9.554 -6.601 1.00 1.62 C ATOM 158 O LEU A 11 14.416 10.705 -6.376 1.00 2.02 O ATOM 159 CB LEU A 11 12.686 8.209 -6.324 1.00 1.16 C ATOM 160 CG LEU A 11 11.990 6.918 -5.850 1.00 1.32 C ATOM 161 CD1 LEU A 11 10.587 6.856 -6.470 1.00 1.28 C ATOM 162 CD2 LEU A 11 12.759 5.638 -6.209 1.00 1.55 C ATOM 0 H LEU A 11 13.649 9.148 -4.003 1.00 1.36 H new ATOM 0 HA LEU A 11 14.706 7.473 -6.179 1.00 1.24 H new ATOM 0 HB2 LEU A 11 12.120 9.064 -5.954 1.00 1.16 H new ATOM 0 HB3 LEU A 11 12.644 8.246 -7.413 1.00 1.16 H new ATOM 0 HG LEU A 11 11.946 6.960 -4.762 1.00 1.32 H new ATOM 0 HD11 LEU A 11 10.084 5.946 -6.142 1.00 1.28 H new ATOM 0 HD12 LEU A 11 10.010 7.724 -6.152 1.00 1.28 H new ATOM 0 HD13 LEU A 11 10.669 6.853 -7.557 1.00 1.28 H new ATOM 0 HD21 LEU A 11 12.210 4.770 -5.844 1.00 1.55 H new ATOM 0 HD22 LEU A 11 12.868 5.570 -7.291 1.00 1.55 H new ATOM 0 HD23 LEU A 11 13.746 5.664 -5.746 1.00 1.55 H new ATOM 174 N LEU A 12 15.729 9.247 -7.513 1.00 1.53 N ATOM 175 CA LEU A 12 16.273 10.184 -8.500 1.00 1.84 C ATOM 176 C LEU A 12 15.494 10.153 -9.827 1.00 2.56 C ATOM 177 O LEU A 12 15.512 11.134 -10.559 1.00 3.28 O ATOM 178 CB LEU A 12 17.767 9.896 -8.717 1.00 2.10 C ATOM 179 CG LEU A 12 18.638 10.016 -7.447 1.00 2.36 C ATOM 180 CD1 LEU A 12 20.104 9.946 -7.873 1.00 3.24 C ATOM 181 CD2 LEU A 12 18.408 11.315 -6.655 1.00 2.93 C ATOM 0 H LEU A 12 16.134 8.314 -7.586 1.00 1.53 H new ATOM 0 HA LEU A 12 16.160 11.194 -8.106 1.00 1.84 H new ATOM 0 HB2 LEU A 12 17.874 8.889 -9.121 1.00 2.10 H new ATOM 0 HB3 LEU A 12 18.150 10.584 -9.470 1.00 2.10 H new ATOM 0 HG LEU A 12 18.359 9.199 -6.782 1.00 2.36 H new ATOM 0 HD11 LEU A 12 20.743 10.029 -6.994 1.00 3.24 H new ATOM 0 HD12 LEU A 12 20.293 8.995 -8.371 1.00 3.24 H new ATOM 0 HD13 LEU A 12 20.323 10.764 -8.559 1.00 3.24 H new ATOM 0 HD21 LEU A 12 19.055 11.326 -5.778 1.00 2.93 H new ATOM 0 HD22 LEU A 12 18.639 12.172 -7.287 1.00 2.93 H new ATOM 0 HD23 LEU A 12 17.366 11.368 -6.338 1.00 2.93 H new ATOM 193 N ASN A 13 14.759 9.068 -10.109 1.00 2.65 N ATOM 194 CA ASN A 13 13.860 8.952 -11.266 1.00 3.28 C ATOM 195 C ASN A 13 12.399 8.751 -10.790 1.00 2.92 C ATOM 196 O ASN A 13 11.925 7.616 -10.723 1.00 2.88 O ATOM 197 CB ASN A 13 14.387 7.824 -12.176 1.00 4.13 C ATOM 198 CG ASN A 13 13.687 7.778 -13.532 1.00 4.66 C ATOM 199 OD1 ASN A 13 12.866 6.917 -13.802 1.00 5.93 O ATOM 200 ND2 ASN A 13 13.979 8.711 -14.420 1.00 4.24 N ATOM 0 H ASN A 13 14.773 8.230 -9.528 1.00 2.65 H new ATOM 0 HA ASN A 13 13.848 9.868 -11.857 1.00 3.28 H new ATOM 0 HB2 ASN A 13 15.458 7.959 -12.330 1.00 4.13 H new ATOM 0 HB3 ASN A 13 14.255 6.866 -11.672 1.00 4.13 H new ATOM 0 HD21 ASN A 13 13.518 8.711 -15.330 1.00 4.24 H new ATOM 0 HD22 ASN A 13 14.665 9.432 -14.196 1.00 4.24 H new ATOM 207 N PRO A 14 11.701 9.826 -10.363 1.00 2.61 N ATOM 208 CA PRO A 14 10.306 9.772 -9.925 1.00 2.24 C ATOM 209 C PRO A 14 9.343 9.826 -11.109 1.00 2.32 C ATOM 210 O PRO A 14 9.720 10.213 -12.213 1.00 3.20 O ATOM 211 CB PRO A 14 10.144 10.994 -9.013 1.00 2.23 C ATOM 212 CG PRO A 14 11.057 12.026 -9.674 1.00 2.71 C ATOM 213 CD PRO A 14 12.223 11.176 -10.176 1.00 2.88 C ATOM 0 HA PRO A 14 10.073 8.840 -9.410 1.00 2.24 H new ATOM 0 HB2 PRO A 14 9.110 11.335 -8.972 1.00 2.23 H new ATOM 0 HB3 PRO A 14 10.450 10.779 -7.989 1.00 2.23 H new ATOM 0 HG2 PRO A 14 10.555 12.546 -10.490 1.00 2.71 H new ATOM 0 HG3 PRO A 14 11.386 12.787 -8.966 1.00 2.71 H new ATOM 0 HD2 PRO A 14 12.618 11.572 -11.112 1.00 2.88 H new ATOM 0 HD3 PRO A 14 13.043 11.179 -9.458 1.00 2.88 H new ATOM 221 N LYS A 15 8.075 9.464 -10.872 1.00 1.11 N ATOM 222 CA LYS A 15 7.084 9.342 -11.947 1.00 1.06 C ATOM 223 C LYS A 15 5.658 9.726 -11.506 1.00 1.15 C ATOM 224 O LYS A 15 5.231 9.252 -10.451 1.00 1.20 O ATOM 225 CB LYS A 15 7.161 7.925 -12.548 1.00 1.17 C ATOM 226 CG LYS A 15 6.729 6.752 -11.647 1.00 2.20 C ATOM 227 CD LYS A 15 6.607 5.448 -12.449 1.00 2.25 C ATOM 228 CE LYS A 15 6.292 4.268 -11.518 1.00 2.79 C ATOM 229 NZ LYS A 15 6.042 3.012 -12.269 1.00 3.39 N ATOM 0 H LYS A 15 7.712 9.250 -9.943 1.00 1.11 H new ATOM 0 HA LYS A 15 7.331 10.067 -12.723 1.00 1.06 H new ATOM 0 HB2 LYS A 15 6.544 7.905 -13.446 1.00 1.17 H new ATOM 0 HB3 LYS A 15 8.189 7.748 -12.863 1.00 1.17 H new ATOM 0 HG2 LYS A 15 7.454 6.621 -10.844 1.00 2.20 H new ATOM 0 HG3 LYS A 15 5.773 6.984 -11.178 1.00 2.20 H new ATOM 0 HD2 LYS A 15 5.821 5.547 -13.198 1.00 2.25 H new ATOM 0 HD3 LYS A 15 7.536 5.257 -12.986 1.00 2.25 H new ATOM 0 HE2 LYS A 15 7.124 4.118 -10.830 1.00 2.79 H new ATOM 0 HE3 LYS A 15 5.417 4.508 -10.913 1.00 2.79 H new ATOM 0 HZ1 LYS A 15 6.119 2.200 -11.623 1.00 3.39 H new ATOM 0 HZ2 LYS A 15 5.087 3.038 -12.680 1.00 3.39 H new ATOM 0 HZ3 LYS A 15 6.744 2.917 -13.030 1.00 3.39 H new ATOM 243 N PRO A 16 4.921 10.568 -12.261 1.00 0.95 N ATOM 244 CA PRO A 16 3.521 10.858 -11.969 1.00 0.98 C ATOM 245 C PRO A 16 2.692 9.590 -12.208 1.00 1.11 C ATOM 246 O PRO A 16 3.078 8.757 -13.028 1.00 1.03 O ATOM 247 CB PRO A 16 3.129 11.992 -12.918 1.00 1.15 C ATOM 248 CG PRO A 16 4.023 11.750 -14.132 1.00 1.16 C ATOM 249 CD PRO A 16 5.311 11.190 -13.521 1.00 1.07 C ATOM 0 HA PRO A 16 3.349 11.159 -10.936 1.00 0.98 H new ATOM 0 HB2 PRO A 16 2.072 11.951 -13.181 1.00 1.15 H new ATOM 0 HB3 PRO A 16 3.309 12.971 -12.473 1.00 1.15 H new ATOM 0 HG2 PRO A 16 3.570 11.046 -14.830 1.00 1.16 H new ATOM 0 HG3 PRO A 16 4.208 12.671 -14.684 1.00 1.16 H new ATOM 0 HD2 PRO A 16 5.775 10.463 -14.188 1.00 1.07 H new ATOM 0 HD3 PRO A 16 6.041 11.982 -13.355 1.00 1.07 H new ATOM 257 N VAL A 17 1.569 9.440 -11.503 1.00 0.80 N ATOM 258 CA VAL A 17 0.704 8.247 -11.534 1.00 0.82 C ATOM 259 C VAL A 17 -0.748 8.601 -11.186 1.00 1.28 C ATOM 260 O VAL A 17 -1.001 9.554 -10.449 1.00 1.37 O ATOM 261 CB VAL A 17 1.187 7.132 -10.563 1.00 0.80 C ATOM 262 CG1 VAL A 17 2.425 6.379 -11.079 1.00 0.86 C ATOM 263 CG2 VAL A 17 1.487 7.644 -9.139 1.00 0.91 C ATOM 0 H VAL A 17 1.221 10.164 -10.874 1.00 0.80 H new ATOM 0 HA VAL A 17 0.761 7.869 -12.555 1.00 0.82 H new ATOM 0 HB VAL A 17 0.341 6.446 -10.518 1.00 0.80 H new ATOM 0 HG11 VAL A 17 2.713 5.614 -10.357 1.00 0.86 H new ATOM 0 HG12 VAL A 17 2.192 5.908 -12.034 1.00 0.86 H new ATOM 0 HG13 VAL A 17 3.248 7.081 -11.212 1.00 0.86 H new ATOM 0 HG21 VAL A 17 1.819 6.813 -8.516 1.00 0.91 H new ATOM 0 HG22 VAL A 17 2.270 8.401 -9.182 1.00 0.91 H new ATOM 0 HG23 VAL A 17 0.584 8.080 -8.711 1.00 0.91 H new ATOM 273 N ASP A 18 -1.686 7.785 -11.672 1.00 0.88 N ATOM 274 CA ASP A 18 -3.072 7.716 -11.201 1.00 0.87 C ATOM 275 C ASP A 18 -3.636 6.317 -11.480 1.00 1.08 C ATOM 276 O ASP A 18 -3.194 5.625 -12.399 1.00 1.54 O ATOM 277 CB ASP A 18 -3.948 8.818 -11.829 1.00 0.98 C ATOM 278 CG ASP A 18 -5.393 8.800 -11.311 1.00 1.18 C ATOM 279 OD1 ASP A 18 -5.643 9.236 -10.162 1.00 1.85 O ATOM 280 OD2 ASP A 18 -6.305 8.400 -12.070 1.00 2.09 O ATOM 0 H ASP A 18 -1.495 7.131 -12.431 1.00 0.88 H new ATOM 0 HA ASP A 18 -3.084 7.893 -10.126 1.00 0.87 H new ATOM 0 HB2 ASP A 18 -3.504 9.791 -11.619 1.00 0.98 H new ATOM 0 HB3 ASP A 18 -3.954 8.697 -12.912 1.00 0.98 H new ATOM 285 N PHE A 19 -4.615 5.906 -10.673 1.00 0.75 N ATOM 286 CA PHE A 19 -5.395 4.697 -10.897 1.00 0.76 C ATOM 287 C PHE A 19 -6.832 4.887 -10.409 1.00 1.52 C ATOM 288 O PHE A 19 -7.094 5.692 -9.516 1.00 1.64 O ATOM 289 CB PHE A 19 -4.716 3.476 -10.249 1.00 0.94 C ATOM 290 CG PHE A 19 -4.642 3.452 -8.725 1.00 1.06 C ATOM 291 CD1 PHE A 19 -5.780 3.121 -7.961 1.00 1.67 C ATOM 292 CD2 PHE A 19 -3.415 3.670 -8.069 1.00 2.31 C ATOM 293 CE1 PHE A 19 -5.695 3.018 -6.562 1.00 1.64 C ATOM 294 CE2 PHE A 19 -3.321 3.526 -6.672 1.00 2.29 C ATOM 295 CZ PHE A 19 -4.462 3.207 -5.918 1.00 1.46 C ATOM 0 H PHE A 19 -4.890 6.415 -9.833 1.00 0.75 H new ATOM 0 HA PHE A 19 -5.439 4.503 -11.969 1.00 0.76 H new ATOM 0 HB2 PHE A 19 -5.245 2.581 -10.577 1.00 0.94 H new ATOM 0 HB3 PHE A 19 -3.700 3.407 -10.639 1.00 0.94 H new ATOM 0 HD1 PHE A 19 -6.724 2.945 -8.455 1.00 1.67 H new ATOM 0 HD2 PHE A 19 -2.542 3.949 -8.641 1.00 2.31 H new ATOM 0 HE1 PHE A 19 -6.578 2.793 -5.982 1.00 1.64 H new ATOM 0 HE2 PHE A 19 -2.370 3.661 -6.179 1.00 2.29 H new ATOM 0 HZ PHE A 19 -4.391 3.107 -4.845 1.00 1.46 H new ATOM 305 N ALA A 20 -7.745 4.095 -10.964 1.00 0.74 N ATOM 306 CA ALA A 20 -9.089 3.857 -10.452 1.00 0.66 C ATOM 307 C ALA A 20 -9.132 2.471 -9.795 1.00 0.83 C ATOM 308 O ALA A 20 -8.607 1.520 -10.372 1.00 0.94 O ATOM 309 CB ALA A 20 -10.059 3.929 -11.639 1.00 0.72 C ATOM 0 H ALA A 20 -7.558 3.578 -11.823 1.00 0.74 H new ATOM 0 HA ALA A 20 -9.370 4.600 -9.705 1.00 0.66 H new ATOM 0 HB1 ALA A 20 -11.076 3.755 -11.289 1.00 0.72 H new ATOM 0 HB2 ALA A 20 -9.998 4.915 -12.100 1.00 0.72 H new ATOM 0 HB3 ALA A 20 -9.793 3.169 -12.373 1.00 0.72 H new ATOM 315 N LEU A 21 -9.747 2.351 -8.616 1.00 0.63 N ATOM 316 CA LEU A 21 -10.061 1.087 -7.966 1.00 0.60 C ATOM 317 C LEU A 21 -11.470 1.086 -7.390 1.00 0.90 C ATOM 318 O LEU A 21 -12.051 2.130 -7.073 1.00 1.05 O ATOM 319 CB LEU A 21 -9.065 0.801 -6.830 1.00 0.59 C ATOM 320 CG LEU A 21 -8.223 -0.478 -6.941 1.00 0.72 C ATOM 321 CD1 LEU A 21 -9.058 -1.770 -6.968 1.00 1.10 C ATOM 322 CD2 LEU A 21 -7.262 -0.453 -8.124 1.00 1.18 C ATOM 0 H LEU A 21 -10.048 3.161 -8.074 1.00 0.63 H new ATOM 0 HA LEU A 21 -9.990 0.312 -8.729 1.00 0.60 H new ATOM 0 HB2 LEU A 21 -8.384 1.649 -6.757 1.00 0.59 H new ATOM 0 HB3 LEU A 21 -9.623 0.758 -5.894 1.00 0.59 H new ATOM 0 HG LEU A 21 -7.636 -0.490 -6.022 1.00 0.72 H new ATOM 0 HD11 LEU A 21 -8.394 -2.631 -7.048 1.00 1.10 H new ATOM 0 HD12 LEU A 21 -9.641 -1.845 -6.050 1.00 1.10 H new ATOM 0 HD13 LEU A 21 -9.731 -1.750 -7.825 1.00 1.10 H new ATOM 0 HD21 LEU A 21 -6.694 -1.383 -8.151 1.00 1.18 H new ATOM 0 HD22 LEU A 21 -7.827 -0.346 -9.050 1.00 1.18 H new ATOM 0 HD23 LEU A 21 -6.577 0.388 -8.018 1.00 1.18 H new ATOM 334 N GLU A 22 -11.934 -0.123 -7.127 1.00 0.65 N ATOM 335 CA GLU A 22 -13.179 -0.398 -6.446 1.00 0.63 C ATOM 336 C GLU A 22 -12.936 -0.670 -4.961 1.00 0.96 C ATOM 337 O GLU A 22 -11.867 -1.100 -4.516 1.00 1.18 O ATOM 338 CB GLU A 22 -13.926 -1.552 -7.107 1.00 0.68 C ATOM 339 CG GLU A 22 -14.513 -1.172 -8.469 1.00 1.95 C ATOM 340 CD GLU A 22 -13.501 -1.222 -9.624 1.00 3.17 C ATOM 341 OE1 GLU A 22 -13.275 -2.331 -10.171 1.00 3.73 O ATOM 342 OE2 GLU A 22 -12.955 -0.160 -9.984 1.00 4.33 O ATOM 0 H GLU A 22 -11.432 -0.970 -7.394 1.00 0.65 H new ATOM 0 HA GLU A 22 -13.810 0.487 -6.525 1.00 0.63 H new ATOM 0 HB2 GLU A 22 -13.247 -2.396 -7.231 1.00 0.68 H new ATOM 0 HB3 GLU A 22 -14.729 -1.884 -6.449 1.00 0.68 H new ATOM 0 HG2 GLU A 22 -15.341 -1.844 -8.696 1.00 1.95 H new ATOM 0 HG3 GLU A 22 -14.927 -0.166 -8.406 1.00 1.95 H new ATOM 349 N GLY A 23 -13.968 -0.319 -4.201 1.00 0.71 N ATOM 350 CA GLY A 23 -13.988 -0.313 -2.737 1.00 0.65 C ATOM 351 C GLY A 23 -15.346 -0.733 -2.171 1.00 0.73 C ATOM 352 O GLY A 23 -16.331 -0.745 -2.912 1.00 0.88 O ATOM 0 H GLY A 23 -14.855 -0.017 -4.604 1.00 0.71 H new ATOM 0 HA2 GLY A 23 -13.217 -0.987 -2.363 1.00 0.65 H new ATOM 0 HA3 GLY A 23 -13.740 0.686 -2.377 1.00 0.65 H new ATOM 356 N PRO A 24 -15.432 -1.011 -0.853 1.00 0.64 N ATOM 357 CA PRO A 24 -16.655 -1.482 -0.198 1.00 0.80 C ATOM 358 C PRO A 24 -17.718 -0.388 -0.024 1.00 1.03 C ATOM 359 O PRO A 24 -18.903 -0.691 0.032 1.00 1.35 O ATOM 360 CB PRO A 24 -16.181 -2.006 1.156 1.00 0.88 C ATOM 361 CG PRO A 24 -14.971 -1.133 1.482 1.00 0.87 C ATOM 362 CD PRO A 24 -14.335 -0.929 0.108 1.00 0.71 C ATOM 0 HA PRO A 24 -17.151 -2.240 -0.804 1.00 0.80 H new ATOM 0 HB2 PRO A 24 -16.958 -1.913 1.915 1.00 0.88 H new ATOM 0 HB3 PRO A 24 -15.911 -3.061 1.104 1.00 0.88 H new ATOM 0 HG2 PRO A 24 -15.263 -0.188 1.939 1.00 0.87 H new ATOM 0 HG3 PRO A 24 -14.290 -1.625 2.176 1.00 0.87 H new ATOM 0 HD2 PRO A 24 -13.834 0.037 0.048 1.00 0.71 H new ATOM 0 HD3 PRO A 24 -13.582 -1.691 -0.092 1.00 0.71 H new ATOM 370 N GLN A 25 -17.312 0.885 0.042 1.00 1.10 N ATOM 371 CA GLN A 25 -18.231 2.030 0.064 1.00 1.20 C ATOM 372 C GLN A 25 -18.583 2.526 -1.357 1.00 1.23 C ATOM 373 O GLN A 25 -19.415 3.418 -1.504 1.00 1.51 O ATOM 374 CB GLN A 25 -17.569 3.125 0.932 1.00 1.34 C ATOM 375 CG GLN A 25 -18.393 4.398 1.196 1.00 2.16 C ATOM 376 CD GLN A 25 -19.777 4.101 1.769 1.00 2.75 C ATOM 377 OE1 GLN A 25 -19.969 3.985 2.968 1.00 3.36 O ATOM 378 NE2 GLN A 25 -20.773 3.909 0.932 1.00 3.86 N ATOM 0 H GLN A 25 -16.328 1.152 0.082 1.00 1.10 H new ATOM 0 HA GLN A 25 -19.189 1.741 0.496 1.00 1.20 H new ATOM 0 HB2 GLN A 25 -17.309 2.684 1.894 1.00 1.34 H new ATOM 0 HB3 GLN A 25 -16.635 3.419 0.453 1.00 1.34 H new ATOM 0 HG2 GLN A 25 -17.849 5.040 1.888 1.00 2.16 H new ATOM 0 HG3 GLN A 25 -18.502 4.954 0.265 1.00 2.16 H new ATOM 0 HE21 GLN A 25 -20.621 4.004 -0.072 1.00 3.86 H new ATOM 0 HE22 GLN A 25 -21.698 3.665 1.287 1.00 3.86 H new ATOM 387 N GLY A 26 -17.951 1.972 -2.397 1.00 1.00 N ATOM 388 CA GLY A 26 -17.895 2.527 -3.751 1.00 1.03 C ATOM 389 C GLY A 26 -16.445 2.730 -4.222 1.00 1.08 C ATOM 390 O GLY A 26 -15.514 2.523 -3.436 1.00 1.23 O ATOM 0 H GLY A 26 -17.445 1.090 -2.314 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -18.411 1.859 -4.440 1.00 1.03 H new ATOM 0 HA3 GLY A 26 -18.423 3.480 -3.776 1.00 1.03 H new ATOM 394 N PRO A 27 -16.247 3.079 -5.508 1.00 0.96 N ATOM 395 CA PRO A 27 -14.934 3.226 -6.127 1.00 1.11 C ATOM 396 C PRO A 27 -14.246 4.546 -5.768 1.00 1.16 C ATOM 397 O PRO A 27 -14.887 5.508 -5.346 1.00 1.10 O ATOM 398 CB PRO A 27 -15.186 3.124 -7.636 1.00 1.18 C ATOM 399 CG PRO A 27 -16.582 3.728 -7.780 1.00 1.10 C ATOM 400 CD PRO A 27 -17.289 3.249 -6.511 1.00 1.02 C ATOM 0 HA PRO A 27 -14.252 2.456 -5.766 1.00 1.11 H new ATOM 0 HB2 PRO A 27 -14.443 3.678 -8.210 1.00 1.18 H new ATOM 0 HB3 PRO A 27 -15.153 2.092 -7.984 1.00 1.18 H new ATOM 0 HG2 PRO A 27 -16.548 4.816 -7.838 1.00 1.10 H new ATOM 0 HG3 PRO A 27 -17.085 3.376 -8.681 1.00 1.10 H new ATOM 0 HD2 PRO A 27 -18.032 3.975 -6.181 1.00 1.02 H new ATOM 0 HD3 PRO A 27 -17.816 2.311 -6.689 1.00 1.02 H new ATOM 408 N VAL A 28 -12.924 4.580 -5.972 1.00 0.70 N ATOM 409 CA VAL A 28 -12.051 5.731 -5.687 1.00 0.83 C ATOM 410 C VAL A 28 -10.945 5.860 -6.744 1.00 1.07 C ATOM 411 O VAL A 28 -10.558 4.862 -7.356 1.00 0.97 O ATOM 412 CB VAL A 28 -11.491 5.620 -4.244 1.00 1.15 C ATOM 413 CG1 VAL A 28 -10.409 4.536 -4.087 1.00 1.55 C ATOM 414 CG2 VAL A 28 -10.966 6.967 -3.728 1.00 2.90 C ATOM 0 H VAL A 28 -12.413 3.783 -6.352 1.00 0.70 H new ATOM 0 HA VAL A 28 -12.634 6.650 -5.744 1.00 0.83 H new ATOM 0 HB VAL A 28 -12.341 5.316 -3.633 1.00 1.15 H new ATOM 0 HG11 VAL A 28 -10.063 4.514 -3.054 1.00 1.55 H new ATOM 0 HG12 VAL A 28 -10.827 3.564 -4.350 1.00 1.55 H new ATOM 0 HG13 VAL A 28 -9.570 4.761 -4.746 1.00 1.55 H new ATOM 0 HG21 VAL A 28 -10.583 6.844 -2.715 1.00 2.90 H new ATOM 0 HG22 VAL A 28 -10.165 7.319 -4.378 1.00 2.90 H new ATOM 0 HG23 VAL A 28 -11.776 7.696 -3.724 1.00 2.90 H new ATOM 424 N ARG A 29 -10.408 7.068 -6.948 1.00 0.85 N ATOM 425 CA ARG A 29 -9.167 7.285 -7.710 1.00 0.77 C ATOM 426 C ARG A 29 -8.007 7.689 -6.797 1.00 1.12 C ATOM 427 O ARG A 29 -8.217 8.386 -5.806 1.00 1.37 O ATOM 428 CB ARG A 29 -9.329 8.359 -8.798 1.00 0.83 C ATOM 429 CG ARG A 29 -10.143 7.881 -10.006 1.00 1.00 C ATOM 430 CD ARG A 29 -10.305 8.993 -11.052 1.00 1.49 C ATOM 431 NE ARG A 29 -9.046 9.336 -11.750 1.00 2.58 N ATOM 432 CZ ARG A 29 -8.777 10.455 -12.414 1.00 3.74 C ATOM 433 NH1 ARG A 29 -9.596 11.486 -12.427 1.00 4.21 N ATOM 434 NH2 ARG A 29 -7.650 10.542 -13.083 1.00 5.05 N ATOM 0 H ARG A 29 -10.822 7.928 -6.589 1.00 0.85 H new ATOM 0 HA ARG A 29 -8.944 6.330 -8.186 1.00 0.77 H new ATOM 0 HB2 ARG A 29 -9.814 9.234 -8.365 1.00 0.83 H new ATOM 0 HB3 ARG A 29 -8.342 8.676 -9.136 1.00 0.83 H new ATOM 0 HG2 ARG A 29 -9.650 7.022 -10.461 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -11.126 7.546 -9.674 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -11.046 8.683 -11.788 1.00 1.49 H new ATOM 0 HD3 ARG A 29 -10.695 9.886 -10.564 1.00 1.49 H new ATOM 0 HE ARG A 29 -8.304 8.637 -11.718 1.00 2.58 H new ATOM 0 HH11 ARG A 29 -10.476 11.444 -11.914 1.00 4.21 H new ATOM 0 HH12 ARG A 29 -9.350 12.326 -12.950 1.00 4.21 H new ATOM 0 HH21 ARG A 29 -6.998 9.758 -13.087 1.00 5.05 H new ATOM 0 HH22 ARG A 29 -7.427 11.394 -13.598 1.00 5.05 H new ATOM 448 N LEU A 30 -6.774 7.352 -7.192 1.00 0.65 N ATOM 449 CA LEU A 30 -5.524 7.792 -6.551 1.00 0.73 C ATOM 450 C LEU A 30 -5.488 9.325 -6.400 1.00 0.99 C ATOM 451 O LEU A 30 -5.159 9.845 -5.338 1.00 1.13 O ATOM 452 CB LEU A 30 -4.344 7.296 -7.415 1.00 0.92 C ATOM 453 CG LEU A 30 -2.994 7.051 -6.706 1.00 1.20 C ATOM 454 CD1 LEU A 30 -1.881 7.016 -7.760 1.00 2.78 C ATOM 455 CD2 LEU A 30 -2.606 8.058 -5.622 1.00 1.52 C ATOM 0 H LEU A 30 -6.611 6.744 -7.995 1.00 0.65 H new ATOM 0 HA LEU A 30 -5.455 7.373 -5.547 1.00 0.73 H new ATOM 0 HB2 LEU A 30 -4.646 6.365 -7.894 1.00 0.92 H new ATOM 0 HB3 LEU A 30 -4.179 8.024 -8.209 1.00 0.92 H new ATOM 0 HG LEU A 30 -3.120 6.103 -6.183 1.00 1.20 H new ATOM 0 HD11 LEU A 30 -0.922 6.844 -7.271 1.00 2.78 H new ATOM 0 HD12 LEU A 30 -2.077 6.212 -8.469 1.00 2.78 H new ATOM 0 HD13 LEU A 30 -1.852 7.968 -8.290 1.00 2.78 H new ATOM 0 HD21 LEU A 30 -1.641 7.782 -5.198 1.00 1.52 H new ATOM 0 HD22 LEU A 30 -2.539 9.055 -6.058 1.00 1.52 H new ATOM 0 HD23 LEU A 30 -3.362 8.056 -4.836 1.00 1.52 H new ATOM 467 N SER A 31 -5.913 10.054 -7.430 1.00 0.74 N ATOM 468 CA SER A 31 -6.089 11.517 -7.415 1.00 0.90 C ATOM 469 C SER A 31 -6.913 12.070 -6.230 1.00 1.26 C ATOM 470 O SER A 31 -6.681 13.212 -5.836 1.00 1.82 O ATOM 471 CB SER A 31 -6.643 12.014 -8.769 1.00 1.04 C ATOM 472 OG SER A 31 -7.400 11.041 -9.476 1.00 1.30 O ATOM 0 H SER A 31 -6.154 9.636 -8.329 1.00 0.74 H new ATOM 0 HA SER A 31 -5.089 11.923 -7.260 1.00 0.90 H new ATOM 0 HB2 SER A 31 -7.268 12.890 -8.595 1.00 1.04 H new ATOM 0 HB3 SER A 31 -5.810 12.336 -9.394 1.00 1.04 H new ATOM 0 HG SER A 31 -6.798 10.483 -10.011 1.00 1.30 H new ATOM 478 N GLN A 32 -7.776 11.292 -5.560 1.00 0.83 N ATOM 479 CA GLN A 32 -8.471 11.746 -4.344 1.00 0.97 C ATOM 480 C GLN A 32 -7.549 11.992 -3.142 1.00 1.38 C ATOM 481 O GLN A 32 -7.994 12.569 -2.148 1.00 1.54 O ATOM 482 CB GLN A 32 -9.552 10.729 -3.926 1.00 1.02 C ATOM 483 CG GLN A 32 -10.741 10.664 -4.893 1.00 1.37 C ATOM 484 CD GLN A 32 -11.416 12.019 -5.119 1.00 2.32 C ATOM 485 OE1 GLN A 32 -11.824 12.339 -6.220 1.00 3.06 O ATOM 486 NE2 GLN A 32 -11.530 12.877 -4.121 1.00 3.07 N ATOM 0 H GLN A 32 -8.011 10.340 -5.841 1.00 0.83 H new ATOM 0 HA GLN A 32 -8.912 12.705 -4.615 1.00 0.97 H new ATOM 0 HB2 GLN A 32 -9.100 9.740 -3.853 1.00 1.02 H new ATOM 0 HB3 GLN A 32 -9.917 10.987 -2.932 1.00 1.02 H new ATOM 0 HG2 GLN A 32 -10.399 10.272 -5.851 1.00 1.37 H new ATOM 0 HG3 GLN A 32 -11.477 9.960 -4.505 1.00 1.37 H new ATOM 0 HE21 GLN A 32 -11.194 12.626 -3.191 1.00 3.07 H new ATOM 0 HE22 GLN A 32 -11.955 13.791 -4.280 1.00 3.07 H new ATOM 495 N PHE A 33 -6.294 11.543 -3.201 1.00 0.95 N ATOM 496 CA PHE A 33 -5.364 11.561 -2.080 1.00 1.10 C ATOM 497 C PHE A 33 -4.009 12.190 -2.428 1.00 2.05 C ATOM 498 O PHE A 33 -3.060 12.022 -1.670 1.00 2.51 O ATOM 499 CB PHE A 33 -5.172 10.109 -1.616 1.00 1.30 C ATOM 500 CG PHE A 33 -6.424 9.279 -1.385 1.00 1.07 C ATOM 501 CD1 PHE A 33 -7.479 9.752 -0.580 1.00 1.99 C ATOM 502 CD2 PHE A 33 -6.517 8.002 -1.971 1.00 2.22 C ATOM 503 CE1 PHE A 33 -8.597 8.939 -0.331 1.00 2.05 C ATOM 504 CE2 PHE A 33 -7.644 7.197 -1.739 1.00 2.16 C ATOM 505 CZ PHE A 33 -8.675 7.656 -0.901 1.00 1.30 C ATOM 0 H PHE A 33 -5.891 11.149 -4.051 1.00 0.95 H new ATOM 0 HA PHE A 33 -5.785 12.183 -1.290 1.00 1.10 H new ATOM 0 HB2 PHE A 33 -4.560 9.596 -2.358 1.00 1.30 H new ATOM 0 HB3 PHE A 33 -4.602 10.124 -0.687 1.00 1.30 H new ATOM 0 HD1 PHE A 33 -7.428 10.743 -0.153 1.00 1.99 H new ATOM 0 HD2 PHE A 33 -5.718 7.640 -2.601 1.00 2.22 H new ATOM 0 HE1 PHE A 33 -9.397 9.299 0.299 1.00 2.05 H new ATOM 0 HE2 PHE A 33 -7.719 6.225 -2.204 1.00 2.16 H new ATOM 0 HZ PHE A 33 -9.526 7.024 -0.695 1.00 1.30 H new ATOM 515 N GLN A 34 -3.896 12.878 -3.570 1.00 0.99 N ATOM 516 CA GLN A 34 -2.595 13.290 -4.115 1.00 1.17 C ATOM 517 C GLN A 34 -1.907 14.409 -3.316 1.00 1.39 C ATOM 518 O GLN A 34 -0.683 14.436 -3.257 1.00 2.10 O ATOM 519 CB GLN A 34 -2.696 13.555 -5.635 1.00 1.40 C ATOM 520 CG GLN A 34 -3.548 14.752 -6.096 1.00 1.30 C ATOM 521 CD GLN A 34 -3.724 14.774 -7.624 1.00 1.52 C ATOM 522 OE1 GLN A 34 -4.762 14.446 -8.173 1.00 1.91 O ATOM 523 NE2 GLN A 34 -2.711 15.099 -8.398 1.00 2.42 N ATOM 0 H GLN A 34 -4.694 13.163 -4.138 1.00 0.99 H new ATOM 0 HA GLN A 34 -1.912 12.450 -3.989 1.00 1.17 H new ATOM 0 HB2 GLN A 34 -1.686 13.694 -6.019 1.00 1.40 H new ATOM 0 HB3 GLN A 34 -3.095 12.657 -6.107 1.00 1.40 H new ATOM 0 HG2 GLN A 34 -4.527 14.707 -5.618 1.00 1.30 H new ATOM 0 HG3 GLN A 34 -3.077 15.680 -5.771 1.00 1.30 H new ATOM 0 HE21 GLN A 34 -1.822 15.380 -7.984 1.00 2.42 H new ATOM 0 HE22 GLN A 34 -2.814 15.070 -9.412 1.00 2.42 H new ATOM 532 N ASP A 35 -2.658 15.251 -2.599 1.00 0.99 N ATOM 533 CA ASP A 35 -2.117 16.147 -1.553 1.00 1.15 C ATOM 534 C ASP A 35 -1.465 15.384 -0.374 1.00 1.30 C ATOM 535 O ASP A 35 -0.583 15.892 0.320 1.00 1.58 O ATOM 536 CB ASP A 35 -3.301 17.009 -1.068 1.00 1.31 C ATOM 537 CG ASP A 35 -3.086 17.716 0.276 1.00 2.27 C ATOM 538 OD1 ASP A 35 -2.217 18.607 0.362 1.00 3.30 O ATOM 539 OD2 ASP A 35 -3.850 17.392 1.216 1.00 3.02 O ATOM 0 H ASP A 35 -3.667 15.336 -2.724 1.00 0.99 H new ATOM 0 HA ASP A 35 -1.314 16.756 -1.969 1.00 1.15 H new ATOM 0 HB2 ASP A 35 -3.516 17.762 -1.826 1.00 1.31 H new ATOM 0 HB3 ASP A 35 -4.184 16.374 -0.990 1.00 1.31 H new ATOM 544 N LYS A 36 -1.908 14.154 -0.127 1.00 0.95 N ATOM 545 CA LYS A 36 -1.714 13.436 1.130 1.00 1.00 C ATOM 546 C LYS A 36 -0.676 12.306 1.014 1.00 1.30 C ATOM 547 O LYS A 36 -0.209 11.966 -0.074 1.00 1.61 O ATOM 548 CB LYS A 36 -3.092 13.072 1.676 1.00 1.14 C ATOM 549 CG LYS A 36 -3.723 14.409 2.057 1.00 1.53 C ATOM 550 CD LYS A 36 -4.919 14.163 2.932 1.00 1.58 C ATOM 551 CE LYS A 36 -5.810 15.390 2.896 1.00 1.81 C ATOM 552 NZ LYS A 36 -5.130 16.586 3.454 1.00 2.00 N ATOM 0 H LYS A 36 -2.428 13.613 -0.818 1.00 0.95 H new ATOM 0 HA LYS A 36 -1.242 14.065 1.885 1.00 1.00 H new ATOM 0 HB2 LYS A 36 -3.689 12.551 0.928 1.00 1.14 H new ATOM 0 HB3 LYS A 36 -3.014 12.411 2.539 1.00 1.14 H new ATOM 0 HG2 LYS A 36 -2.997 15.031 2.581 1.00 1.53 H new ATOM 0 HG3 LYS A 36 -4.020 14.953 1.160 1.00 1.53 H new ATOM 0 HD2 LYS A 36 -5.468 13.288 2.584 1.00 1.58 H new ATOM 0 HD3 LYS A 36 -4.603 13.956 3.954 1.00 1.58 H new ATOM 0 HE2 LYS A 36 -6.110 15.590 1.867 1.00 1.81 H new ATOM 0 HE3 LYS A 36 -6.721 15.194 3.462 1.00 1.81 H new ATOM 0 HZ1 LYS A 36 -5.799 17.381 3.489 1.00 2.00 H new ATOM 0 HZ2 LYS A 36 -4.791 16.376 4.414 1.00 2.00 H new ATOM 0 HZ3 LYS A 36 -4.323 16.840 2.850 1.00 2.00 H new ATOM 566 N VAL A 37 -0.260 11.728 2.138 1.00 1.07 N ATOM 567 CA VAL A 37 0.909 10.835 2.216 1.00 1.01 C ATOM 568 C VAL A 37 0.392 9.406 2.075 1.00 1.29 C ATOM 569 O VAL A 37 -0.019 8.790 3.055 1.00 1.74 O ATOM 570 CB VAL A 37 1.708 11.022 3.536 1.00 1.12 C ATOM 571 CG1 VAL A 37 2.918 10.071 3.603 1.00 1.44 C ATOM 572 CG2 VAL A 37 2.239 12.457 3.679 1.00 1.22 C ATOM 0 H VAL A 37 -0.726 11.864 3.035 1.00 1.07 H new ATOM 0 HA VAL A 37 1.611 11.073 1.417 1.00 1.01 H new ATOM 0 HB VAL A 37 1.010 10.800 4.343 1.00 1.12 H new ATOM 0 HG11 VAL A 37 3.454 10.229 4.539 1.00 1.44 H new ATOM 0 HG12 VAL A 37 2.572 9.038 3.553 1.00 1.44 H new ATOM 0 HG13 VAL A 37 3.585 10.272 2.765 1.00 1.44 H new ATOM 0 HG21 VAL A 37 2.792 12.549 4.614 1.00 1.22 H new ATOM 0 HG22 VAL A 37 2.900 12.686 2.843 1.00 1.22 H new ATOM 0 HG23 VAL A 37 1.403 13.156 3.682 1.00 1.22 H new ATOM 582 N VAL A 38 0.385 8.913 0.833 1.00 0.61 N ATOM 583 CA VAL A 38 -0.187 7.609 0.478 1.00 0.64 C ATOM 584 C VAL A 38 0.905 6.547 0.383 1.00 0.95 C ATOM 585 O VAL A 38 1.866 6.676 -0.382 1.00 0.86 O ATOM 586 CB VAL A 38 -1.007 7.661 -0.830 1.00 0.78 C ATOM 587 CG1 VAL A 38 -1.677 6.306 -1.121 1.00 1.13 C ATOM 588 CG2 VAL A 38 -2.111 8.721 -0.722 1.00 0.99 C ATOM 0 H VAL A 38 0.780 9.413 0.037 1.00 0.61 H new ATOM 0 HA VAL A 38 -0.876 7.338 1.278 1.00 0.64 H new ATOM 0 HB VAL A 38 -0.316 7.908 -1.636 1.00 0.78 H new ATOM 0 HG11 VAL A 38 -2.247 6.374 -2.048 1.00 1.13 H new ATOM 0 HG12 VAL A 38 -0.912 5.536 -1.221 1.00 1.13 H new ATOM 0 HG13 VAL A 38 -2.347 6.048 -0.301 1.00 1.13 H new ATOM 0 HG21 VAL A 38 -2.682 8.748 -1.650 1.00 0.99 H new ATOM 0 HG22 VAL A 38 -2.775 8.471 0.105 1.00 0.99 H new ATOM 0 HG23 VAL A 38 -1.661 9.698 -0.544 1.00 0.99 H new ATOM 598 N LEU A 39 0.695 5.463 1.134 1.00 0.69 N ATOM 599 CA LEU A 39 1.388 4.184 0.994 1.00 0.74 C ATOM 600 C LEU A 39 0.501 3.201 0.216 1.00 1.22 C ATOM 601 O LEU A 39 -0.700 3.110 0.483 1.00 1.36 O ATOM 602 CB LEU A 39 1.692 3.636 2.403 1.00 0.85 C ATOM 603 CG LEU A 39 2.998 4.154 3.028 1.00 1.05 C ATOM 604 CD1 LEU A 39 2.951 3.930 4.545 1.00 1.87 C ATOM 605 CD2 LEU A 39 4.207 3.415 2.439 1.00 1.82 C ATOM 0 H LEU A 39 0.008 5.454 1.888 1.00 0.69 H new ATOM 0 HA LEU A 39 2.321 4.315 0.445 1.00 0.74 H new ATOM 0 HB2 LEU A 39 0.863 3.891 3.063 1.00 0.85 H new ATOM 0 HB3 LEU A 39 1.736 2.548 2.353 1.00 0.85 H new ATOM 0 HG LEU A 39 3.099 5.217 2.809 1.00 1.05 H new ATOM 0 HD11 LEU A 39 3.874 4.295 4.995 1.00 1.87 H new ATOM 0 HD12 LEU A 39 2.103 4.470 4.966 1.00 1.87 H new ATOM 0 HD13 LEU A 39 2.842 2.865 4.752 1.00 1.87 H new ATOM 0 HD21 LEU A 39 5.122 3.795 2.893 1.00 1.82 H new ATOM 0 HD22 LEU A 39 4.116 2.348 2.643 1.00 1.82 H new ATOM 0 HD23 LEU A 39 4.243 3.576 1.362 1.00 1.82 H new ATOM 617 N LEU A 40 1.096 2.436 -0.703 1.00 0.79 N ATOM 618 CA LEU A 40 0.475 1.235 -1.264 1.00 0.85 C ATOM 619 C LEU A 40 1.261 -0.008 -0.860 1.00 1.19 C ATOM 620 O LEU A 40 2.485 -0.058 -1.010 1.00 1.29 O ATOM 621 CB LEU A 40 0.366 1.304 -2.803 1.00 1.06 C ATOM 622 CG LEU A 40 -1.065 1.580 -3.297 1.00 1.03 C ATOM 623 CD1 LEU A 40 -1.397 3.076 -3.221 1.00 1.90 C ATOM 624 CD2 LEU A 40 -1.238 1.063 -4.730 1.00 2.46 C ATOM 0 H LEU A 40 2.023 2.633 -1.079 1.00 0.79 H new ATOM 0 HA LEU A 40 -0.535 1.177 -0.859 1.00 0.85 H new ATOM 0 HB2 LEU A 40 1.029 2.086 -3.173 1.00 1.06 H new ATOM 0 HB3 LEU A 40 0.715 0.363 -3.228 1.00 1.06 H new ATOM 0 HG LEU A 40 -1.759 1.050 -2.645 1.00 1.03 H new ATOM 0 HD11 LEU A 40 -2.414 3.241 -3.576 1.00 1.90 H new ATOM 0 HD12 LEU A 40 -1.314 3.415 -2.188 1.00 1.90 H new ATOM 0 HD13 LEU A 40 -0.699 3.636 -3.844 1.00 1.90 H new ATOM 0 HD21 LEU A 40 -2.254 1.264 -5.069 1.00 2.46 H new ATOM 0 HD22 LEU A 40 -0.530 1.568 -5.387 1.00 2.46 H new ATOM 0 HD23 LEU A 40 -1.053 -0.011 -4.754 1.00 2.46 H new ATOM 636 N PHE A 41 0.525 -1.037 -0.439 1.00 0.87 N ATOM 637 CA PHE A 41 1.005 -2.409 -0.311 1.00 0.84 C ATOM 638 C PHE A 41 0.104 -3.356 -1.121 1.00 1.39 C ATOM 639 O PHE A 41 -1.122 -3.197 -1.137 1.00 1.69 O ATOM 640 CB PHE A 41 1.060 -2.785 1.180 1.00 0.93 C ATOM 641 CG PHE A 41 1.614 -4.165 1.501 1.00 1.11 C ATOM 642 CD1 PHE A 41 2.786 -4.639 0.873 1.00 2.28 C ATOM 643 CD2 PHE A 41 0.977 -4.971 2.467 1.00 1.77 C ATOM 644 CE1 PHE A 41 3.297 -5.908 1.186 1.00 2.36 C ATOM 645 CE2 PHE A 41 1.494 -6.241 2.784 1.00 1.68 C ATOM 646 CZ PHE A 41 2.650 -6.712 2.141 1.00 1.33 C ATOM 0 H PHE A 41 -0.453 -0.933 -0.169 1.00 0.87 H new ATOM 0 HA PHE A 41 2.012 -2.501 -0.717 1.00 0.84 H new ATOM 0 HB2 PHE A 41 1.666 -2.042 1.699 1.00 0.93 H new ATOM 0 HB3 PHE A 41 0.052 -2.716 1.589 1.00 0.93 H new ATOM 0 HD1 PHE A 41 3.293 -4.021 0.147 1.00 2.28 H new ATOM 0 HD2 PHE A 41 0.089 -4.612 2.966 1.00 1.77 H new ATOM 0 HE1 PHE A 41 4.188 -6.267 0.693 1.00 2.36 H new ATOM 0 HE2 PHE A 41 1.001 -6.855 3.523 1.00 1.68 H new ATOM 0 HZ PHE A 41 3.041 -7.690 2.380 1.00 1.33 H new ATOM 656 N PHE A 42 0.729 -4.342 -1.771 1.00 0.84 N ATOM 657 CA PHE A 42 0.064 -5.358 -2.591 1.00 0.81 C ATOM 658 C PHE A 42 0.178 -6.726 -1.910 1.00 1.97 C ATOM 659 O PHE A 42 1.277 -7.259 -1.750 1.00 2.37 O ATOM 660 CB PHE A 42 0.684 -5.366 -3.995 1.00 0.84 C ATOM 661 CG PHE A 42 0.420 -4.098 -4.788 1.00 0.89 C ATOM 662 CD1 PHE A 42 1.243 -2.970 -4.613 1.00 2.22 C ATOM 663 CD2 PHE A 42 -0.639 -4.055 -5.717 1.00 1.76 C ATOM 664 CE1 PHE A 42 1.043 -1.822 -5.397 1.00 2.36 C ATOM 665 CE2 PHE A 42 -0.845 -2.902 -6.494 1.00 1.52 C ATOM 666 CZ PHE A 42 0.006 -1.795 -6.345 1.00 1.20 C ATOM 0 H PHE A 42 1.742 -4.458 -1.740 1.00 0.84 H new ATOM 0 HA PHE A 42 -0.996 -5.125 -2.693 1.00 0.81 H new ATOM 0 HB2 PHE A 42 1.761 -5.510 -3.906 1.00 0.84 H new ATOM 0 HB3 PHE A 42 0.293 -6.219 -4.550 1.00 0.84 H new ATOM 0 HD1 PHE A 42 2.030 -2.987 -3.874 1.00 2.22 H new ATOM 0 HD2 PHE A 42 -1.292 -4.908 -5.832 1.00 1.76 H new ATOM 0 HE1 PHE A 42 1.684 -0.962 -5.272 1.00 2.36 H new ATOM 0 HE2 PHE A 42 -1.657 -2.867 -7.205 1.00 1.52 H new ATOM 0 HZ PHE A 42 -0.137 -0.920 -6.961 1.00 1.20 H new ATOM 676 N GLY A 43 -0.960 -7.252 -1.447 1.00 0.84 N ATOM 677 CA GLY A 43 -1.057 -8.452 -0.610 1.00 0.91 C ATOM 678 C GLY A 43 -2.273 -9.342 -0.882 1.00 1.03 C ATOM 679 O GLY A 43 -3.120 -9.066 -1.727 1.00 1.11 O ATOM 0 H GLY A 43 -1.870 -6.840 -1.652 1.00 0.84 H new ATOM 0 HA2 GLY A 43 -0.154 -9.046 -0.749 1.00 0.91 H new ATOM 0 HA3 GLY A 43 -1.078 -8.145 0.436 1.00 0.91 H new ATOM 683 N PHE A 44 -2.382 -10.400 -0.088 1.00 1.13 N ATOM 684 CA PHE A 44 -3.534 -11.295 0.009 1.00 1.20 C ATOM 685 C PHE A 44 -3.913 -11.370 1.497 1.00 1.88 C ATOM 686 O PHE A 44 -3.013 -11.489 2.330 1.00 2.69 O ATOM 687 CB PHE A 44 -3.061 -12.648 -0.571 1.00 1.47 C ATOM 688 CG PHE A 44 -4.020 -13.822 -0.710 1.00 1.59 C ATOM 689 CD1 PHE A 44 -5.409 -13.712 -0.503 1.00 2.83 C ATOM 690 CD2 PHE A 44 -3.491 -15.052 -1.154 1.00 2.43 C ATOM 691 CE1 PHE A 44 -6.252 -14.813 -0.726 1.00 3.76 C ATOM 692 CE2 PHE A 44 -4.336 -16.150 -1.401 1.00 3.14 C ATOM 693 CZ PHE A 44 -5.721 -16.029 -1.189 1.00 3.62 C ATOM 0 H PHE A 44 -1.628 -10.674 0.542 1.00 1.13 H new ATOM 0 HA PHE A 44 -4.418 -10.970 -0.540 1.00 1.20 H new ATOM 0 HB2 PHE A 44 -2.658 -12.446 -1.564 1.00 1.47 H new ATOM 0 HB3 PHE A 44 -2.230 -12.987 0.047 1.00 1.47 H new ATOM 0 HD1 PHE A 44 -5.829 -12.774 -0.170 1.00 2.83 H new ATOM 0 HD2 PHE A 44 -2.426 -15.152 -1.306 1.00 2.43 H new ATOM 0 HE1 PHE A 44 -7.312 -14.725 -0.541 1.00 3.76 H new ATOM 0 HE2 PHE A 44 -3.922 -17.083 -1.753 1.00 3.14 H new ATOM 0 HZ PHE A 44 -6.374 -16.867 -1.381 1.00 3.62 H new ATOM 703 N THR A 45 -5.203 -11.348 1.860 1.00 1.04 N ATOM 704 CA THR A 45 -5.673 -11.571 3.247 1.00 1.16 C ATOM 705 C THR A 45 -5.213 -12.900 3.845 1.00 1.62 C ATOM 706 O THR A 45 -5.220 -13.048 5.062 1.00 2.31 O ATOM 707 CB THR A 45 -7.193 -11.473 3.350 1.00 1.25 C ATOM 708 OG1 THR A 45 -7.773 -12.255 2.336 1.00 1.92 O ATOM 709 CG2 THR A 45 -7.643 -10.019 3.231 1.00 0.99 C ATOM 0 H THR A 45 -5.960 -11.174 1.199 1.00 1.04 H new ATOM 0 HA THR A 45 -5.213 -10.773 3.829 1.00 1.16 H new ATOM 0 HB THR A 45 -7.516 -11.845 4.322 1.00 1.25 H new ATOM 0 HG1 THR A 45 -8.503 -11.755 1.914 1.00 1.92 H new ATOM 0 HG21 THR A 45 -8.729 -9.967 3.306 1.00 0.99 H new ATOM 0 HG22 THR A 45 -7.195 -9.433 4.033 1.00 0.99 H new ATOM 0 HG23 THR A 45 -7.327 -9.618 2.268 1.00 0.99 H new ATOM 717 N ARG A 46 -4.735 -13.834 3.013 1.00 1.52 N ATOM 718 CA ARG A 46 -3.851 -14.914 3.455 1.00 1.78 C ATOM 719 C ARG A 46 -2.395 -14.423 3.518 1.00 1.86 C ATOM 720 O ARG A 46 -1.968 -13.992 4.584 1.00 2.94 O ATOM 721 CB ARG A 46 -4.067 -16.187 2.625 1.00 2.24 C ATOM 722 CG ARG A 46 -5.538 -16.630 2.726 1.00 2.44 C ATOM 723 CD ARG A 46 -5.754 -18.103 2.387 1.00 3.36 C ATOM 724 NE ARG A 46 -5.397 -18.430 0.997 1.00 4.34 N ATOM 725 CZ ARG A 46 -5.597 -19.614 0.426 1.00 5.39 C ATOM 726 NH1 ARG A 46 -6.153 -20.619 1.067 1.00 5.70 N ATOM 727 NH2 ARG A 46 -5.248 -19.846 -0.819 1.00 6.68 N ATOM 0 H ARG A 46 -4.951 -13.860 2.017 1.00 1.52 H new ATOM 0 HA ARG A 46 -4.108 -15.203 4.474 1.00 1.78 H new ATOM 0 HB2 ARG A 46 -3.804 -16.003 1.584 1.00 2.24 H new ATOM 0 HB3 ARG A 46 -3.413 -16.982 2.983 1.00 2.24 H new ATOM 0 HG2 ARG A 46 -5.898 -16.441 3.738 1.00 2.44 H new ATOM 0 HG3 ARG A 46 -6.141 -16.018 2.054 1.00 2.44 H new ATOM 0 HD2 ARG A 46 -5.159 -18.717 3.063 1.00 3.36 H new ATOM 0 HD3 ARG A 46 -6.799 -18.360 2.558 1.00 3.36 H new ATOM 0 HE ARG A 46 -4.966 -17.698 0.433 1.00 4.34 H new ATOM 0 HH11 ARG A 46 -6.448 -20.505 2.037 1.00 5.70 H new ATOM 0 HH12 ARG A 46 -6.290 -21.512 0.594 1.00 5.70 H new ATOM 0 HH21 ARG A 46 -4.812 -19.108 -1.372 1.00 6.68 H new ATOM 0 HH22 ARG A 46 -5.413 -20.764 -1.232 1.00 6.68 H new ATOM 741 N CYS A 47 -1.639 -14.478 2.408 1.00 1.93 N ATOM 742 CA CYS A 47 -0.177 -14.238 2.404 1.00 2.11 C ATOM 743 C CYS A 47 0.572 -15.266 3.298 1.00 2.32 C ATOM 744 O CYS A 47 -0.061 -16.208 3.776 1.00 3.02 O ATOM 745 CB CYS A 47 0.086 -12.761 2.783 1.00 2.33 C ATOM 746 SG CYS A 47 0.441 -11.822 1.273 1.00 3.79 S ATOM 0 H CYS A 47 -2.020 -14.690 1.486 1.00 1.93 H new ATOM 0 HA CYS A 47 0.230 -14.397 1.405 1.00 2.11 H new ATOM 0 HB2 CYS A 47 -0.782 -12.342 3.292 1.00 2.33 H new ATOM 0 HB3 CYS A 47 0.925 -12.693 3.475 1.00 2.33 H new ATOM 0 HG CYS A 47 0.109 -10.577 1.448 1.00 3.79 H new ATOM 752 N PRO A 48 1.908 -15.162 3.474 1.00 2.20 N ATOM 753 CA PRO A 48 2.634 -15.961 4.462 1.00 2.51 C ATOM 754 C PRO A 48 2.460 -15.420 5.889 1.00 2.05 C ATOM 755 O PRO A 48 2.070 -16.184 6.761 1.00 2.47 O ATOM 756 CB PRO A 48 4.098 -15.955 4.006 1.00 3.19 C ATOM 757 CG PRO A 48 4.230 -14.671 3.188 1.00 2.99 C ATOM 758 CD PRO A 48 2.845 -14.527 2.555 1.00 2.51 C ATOM 0 HA PRO A 48 2.245 -16.978 4.511 1.00 2.51 H new ATOM 0 HB2 PRO A 48 4.780 -15.958 4.856 1.00 3.19 H new ATOM 0 HB3 PRO A 48 4.332 -16.835 3.407 1.00 3.19 H new ATOM 0 HG2 PRO A 48 4.478 -13.815 3.816 1.00 2.99 H new ATOM 0 HG3 PRO A 48 5.013 -14.751 2.434 1.00 2.99 H new ATOM 0 HD2 PRO A 48 2.593 -13.477 2.406 1.00 2.51 H new ATOM 0 HD3 PRO A 48 2.813 -15.004 1.576 1.00 2.51 H new ATOM 766 N ASP A 49 2.734 -14.125 6.117 1.00 1.37 N ATOM 767 CA ASP A 49 2.710 -13.436 7.436 1.00 1.11 C ATOM 768 C ASP A 49 3.000 -11.926 7.286 1.00 1.03 C ATOM 769 O ASP A 49 2.487 -11.074 7.997 1.00 1.21 O ATOM 770 CB ASP A 49 3.725 -14.053 8.419 1.00 1.27 C ATOM 771 CG ASP A 49 3.333 -13.769 9.876 1.00 2.52 C ATOM 772 OD1 ASP A 49 3.411 -12.586 10.280 1.00 3.31 O ATOM 773 OD2 ASP A 49 2.938 -14.728 10.572 1.00 3.71 O ATOM 0 H ASP A 49 2.991 -13.493 5.358 1.00 1.37 H new ATOM 0 HA ASP A 49 1.706 -13.569 7.839 1.00 1.11 H new ATOM 0 HB2 ASP A 49 3.782 -15.130 8.259 1.00 1.27 H new ATOM 0 HB3 ASP A 49 4.718 -13.649 8.222 1.00 1.27 H new ATOM 778 N VAL A 50 3.742 -11.588 6.238 1.00 0.92 N ATOM 779 CA VAL A 50 3.929 -10.245 5.667 1.00 0.89 C ATOM 780 C VAL A 50 2.647 -9.389 5.498 1.00 1.02 C ATOM 781 O VAL A 50 2.736 -8.190 5.276 1.00 1.36 O ATOM 782 CB VAL A 50 4.676 -10.404 4.320 1.00 1.05 C ATOM 783 CG1 VAL A 50 3.735 -10.859 3.191 1.00 1.25 C ATOM 784 CG2 VAL A 50 5.480 -9.172 3.898 1.00 1.82 C ATOM 0 H VAL A 50 4.270 -12.292 5.722 1.00 0.92 H new ATOM 0 HA VAL A 50 4.509 -9.675 6.393 1.00 0.89 H new ATOM 0 HB VAL A 50 5.408 -11.192 4.500 1.00 1.05 H new ATOM 0 HG11 VAL A 50 4.300 -10.958 2.264 1.00 1.25 H new ATOM 0 HG12 VAL A 50 3.293 -11.821 3.451 1.00 1.25 H new ATOM 0 HG13 VAL A 50 2.944 -10.121 3.057 1.00 1.25 H new ATOM 0 HG21 VAL A 50 5.972 -9.367 2.945 1.00 1.82 H new ATOM 0 HG22 VAL A 50 4.810 -8.319 3.792 1.00 1.82 H new ATOM 0 HG23 VAL A 50 6.232 -8.951 4.656 1.00 1.82 H new ATOM 794 N CYS A 51 1.439 -9.972 5.540 1.00 0.91 N ATOM 795 CA CYS A 51 0.232 -9.175 5.814 1.00 1.04 C ATOM 796 C CYS A 51 0.083 -8.783 7.303 1.00 1.31 C ATOM 797 O CYS A 51 0.132 -7.584 7.569 1.00 1.52 O ATOM 798 CB CYS A 51 -1.004 -9.837 5.193 1.00 1.24 C ATOM 799 SG CYS A 51 -0.986 -9.445 3.423 1.00 1.50 S ATOM 0 H CYS A 51 1.272 -10.967 5.392 1.00 0.91 H new ATOM 0 HA CYS A 51 0.342 -8.211 5.317 1.00 1.04 H new ATOM 0 HB2 CYS A 51 -0.983 -10.916 5.349 1.00 1.24 H new ATOM 0 HB3 CYS A 51 -1.916 -9.465 5.661 1.00 1.24 H new ATOM 0 HG CYS A 51 -1.805 -10.235 2.795 1.00 1.50 H new ATOM 805 N PRO A 52 -0.093 -9.712 8.263 1.00 1.06 N ATOM 806 CA PRO A 52 -0.289 -9.347 9.660 1.00 1.17 C ATOM 807 C PRO A 52 0.909 -8.630 10.303 1.00 1.31 C ATOM 808 O PRO A 52 0.689 -7.573 10.889 1.00 1.22 O ATOM 809 CB PRO A 52 -0.690 -10.634 10.395 1.00 1.44 C ATOM 810 CG PRO A 52 -0.303 -11.766 9.445 1.00 1.35 C ATOM 811 CD PRO A 52 -0.428 -11.116 8.069 1.00 1.15 C ATOM 0 HA PRO A 52 -1.076 -8.597 9.734 1.00 1.17 H new ATOM 0 HB2 PRO A 52 -0.169 -10.723 11.348 1.00 1.44 H new ATOM 0 HB3 PRO A 52 -1.758 -10.648 10.612 1.00 1.44 H new ATOM 0 HG2 PRO A 52 0.710 -12.122 9.633 1.00 1.35 H new ATOM 0 HG3 PRO A 52 -0.967 -12.624 9.548 1.00 1.35 H new ATOM 0 HD2 PRO A 52 0.247 -11.584 7.352 1.00 1.15 H new ATOM 0 HD3 PRO A 52 -1.438 -11.226 7.674 1.00 1.15 H new ATOM 819 N THR A 53 2.149 -9.142 10.204 1.00 1.09 N ATOM 820 CA THR A 53 3.288 -8.556 10.943 1.00 1.22 C ATOM 821 C THR A 53 3.693 -7.193 10.384 1.00 1.31 C ATOM 822 O THR A 53 3.801 -6.227 11.146 1.00 1.30 O ATOM 823 CB THR A 53 4.459 -9.541 11.014 1.00 1.43 C ATOM 824 OG1 THR A 53 4.034 -10.603 11.834 1.00 2.57 O ATOM 825 CG2 THR A 53 5.696 -8.949 11.691 1.00 1.72 C ATOM 0 H THR A 53 2.389 -9.949 9.628 1.00 1.09 H new ATOM 0 HA THR A 53 2.964 -8.372 11.967 1.00 1.22 H new ATOM 0 HB THR A 53 4.727 -9.827 9.997 1.00 1.43 H new ATOM 0 HG1 THR A 53 3.555 -11.264 11.291 1.00 2.57 H new ATOM 0 HG21 THR A 53 6.491 -9.694 11.711 1.00 1.72 H new ATOM 0 HG22 THR A 53 6.032 -8.074 11.134 1.00 1.72 H new ATOM 0 HG23 THR A 53 5.447 -8.656 12.711 1.00 1.72 H new ATOM 833 N THR A 54 3.788 -7.073 9.054 1.00 1.19 N ATOM 834 CA THR A 54 4.081 -5.800 8.382 1.00 1.23 C ATOM 835 C THR A 54 2.987 -4.772 8.634 1.00 1.28 C ATOM 836 O THR A 54 3.313 -3.620 8.913 1.00 1.29 O ATOM 837 CB THR A 54 4.291 -5.995 6.879 1.00 1.27 C ATOM 838 OG1 THR A 54 5.072 -7.140 6.625 1.00 1.77 O ATOM 839 CG2 THR A 54 4.996 -4.805 6.230 1.00 1.72 C ATOM 0 H THR A 54 3.664 -7.856 8.413 1.00 1.19 H new ATOM 0 HA THR A 54 5.009 -5.421 8.809 1.00 1.23 H new ATOM 0 HB THR A 54 3.294 -6.101 6.451 1.00 1.27 H new ATOM 0 HG1 THR A 54 5.794 -7.196 7.285 1.00 1.77 H new ATOM 0 HG21 THR A 54 5.121 -4.993 5.164 1.00 1.72 H new ATOM 0 HG22 THR A 54 4.397 -3.906 6.372 1.00 1.72 H new ATOM 0 HG23 THR A 54 5.974 -4.666 6.691 1.00 1.72 H new ATOM 847 N LEU A 55 1.698 -5.154 8.616 1.00 1.04 N ATOM 848 CA LEU A 55 0.622 -4.227 8.997 1.00 1.01 C ATOM 849 C LEU A 55 0.694 -3.841 10.481 1.00 1.42 C ATOM 850 O LEU A 55 0.251 -2.740 10.807 1.00 1.61 O ATOM 851 CB LEU A 55 -0.777 -4.786 8.664 1.00 0.91 C ATOM 852 CG LEU A 55 -1.158 -4.825 7.167 1.00 0.96 C ATOM 853 CD1 LEU A 55 -2.495 -5.567 7.001 1.00 1.50 C ATOM 854 CD2 LEU A 55 -1.312 -3.427 6.551 1.00 1.29 C ATOM 0 H LEU A 55 1.380 -6.085 8.346 1.00 1.04 H new ATOM 0 HA LEU A 55 0.777 -3.328 8.401 1.00 1.01 H new ATOM 0 HB2 LEU A 55 -0.845 -5.799 9.061 1.00 0.91 H new ATOM 0 HB3 LEU A 55 -1.520 -4.187 9.191 1.00 0.91 H new ATOM 0 HG LEU A 55 -0.345 -5.335 6.650 1.00 0.96 H new ATOM 0 HD11 LEU A 55 -2.766 -5.596 5.946 1.00 1.50 H new ATOM 0 HD12 LEU A 55 -2.396 -6.585 7.378 1.00 1.50 H new ATOM 0 HD13 LEU A 55 -3.272 -5.047 7.561 1.00 1.50 H new ATOM 0 HD21 LEU A 55 -1.580 -3.521 5.499 1.00 1.29 H new ATOM 0 HD22 LEU A 55 -2.095 -2.882 7.078 1.00 1.29 H new ATOM 0 HD23 LEU A 55 -0.370 -2.885 6.639 1.00 1.29 H new ATOM 866 N LEU A 56 1.246 -4.678 11.374 1.00 1.06 N ATOM 867 CA LEU A 56 1.476 -4.349 12.789 1.00 1.13 C ATOM 868 C LEU A 56 2.603 -3.314 12.945 1.00 1.36 C ATOM 869 O LEU A 56 2.455 -2.375 13.730 1.00 1.51 O ATOM 870 CB LEU A 56 1.773 -5.648 13.575 1.00 1.16 C ATOM 871 CG LEU A 56 1.201 -5.697 15.005 1.00 1.55 C ATOM 872 CD1 LEU A 56 1.435 -7.095 15.594 1.00 2.20 C ATOM 873 CD2 LEU A 56 1.803 -4.645 15.949 1.00 1.71 C ATOM 0 H LEU A 56 1.550 -5.620 11.128 1.00 1.06 H new ATOM 0 HA LEU A 56 0.577 -3.892 13.202 1.00 1.13 H new ATOM 0 HB2 LEU A 56 1.375 -6.493 13.013 1.00 1.16 H new ATOM 0 HB3 LEU A 56 2.853 -5.782 13.629 1.00 1.16 H new ATOM 0 HG LEU A 56 0.138 -5.471 14.923 1.00 1.55 H new ATOM 0 HD11 LEU A 56 1.032 -7.136 16.606 1.00 2.20 H new ATOM 0 HD12 LEU A 56 0.935 -7.839 14.974 1.00 2.20 H new ATOM 0 HD13 LEU A 56 2.504 -7.304 15.620 1.00 2.20 H new ATOM 0 HD21 LEU A 56 1.352 -4.741 16.936 1.00 1.71 H new ATOM 0 HD22 LEU A 56 2.879 -4.798 16.026 1.00 1.71 H new ATOM 0 HD23 LEU A 56 1.606 -3.648 15.556 1.00 1.71 H new ATOM 885 N ALA A 57 3.691 -3.423 12.182 1.00 1.18 N ATOM 886 CA ALA A 57 4.745 -2.406 12.129 1.00 1.20 C ATOM 887 C ALA A 57 4.233 -1.083 11.530 1.00 1.29 C ATOM 888 O ALA A 57 4.309 -0.030 12.171 1.00 1.51 O ATOM 889 CB ALA A 57 5.910 -2.981 11.320 1.00 1.19 C ATOM 0 H ALA A 57 3.868 -4.226 11.578 1.00 1.18 H new ATOM 0 HA ALA A 57 5.078 -2.165 13.139 1.00 1.20 H new ATOM 0 HB1 ALA A 57 6.712 -2.245 11.263 1.00 1.19 H new ATOM 0 HB2 ALA A 57 6.280 -3.884 11.806 1.00 1.19 H new ATOM 0 HB3 ALA A 57 5.569 -3.225 10.314 1.00 1.19 H new ATOM 895 N LEU A 58 3.643 -1.156 10.329 1.00 1.15 N ATOM 896 CA LEU A 58 3.032 -0.027 9.622 1.00 1.14 C ATOM 897 C LEU A 58 2.031 0.716 10.505 1.00 1.43 C ATOM 898 O LEU A 58 2.172 1.926 10.675 1.00 1.53 O ATOM 899 CB LEU A 58 2.337 -0.525 8.337 1.00 1.18 C ATOM 900 CG LEU A 58 3.285 -0.937 7.192 1.00 1.40 C ATOM 901 CD1 LEU A 58 2.498 -1.699 6.115 1.00 1.69 C ATOM 902 CD2 LEU A 58 3.932 0.292 6.551 1.00 1.53 C ATOM 0 H LEU A 58 3.577 -2.031 9.808 1.00 1.15 H new ATOM 0 HA LEU A 58 3.826 0.672 9.359 1.00 1.14 H new ATOM 0 HB2 LEU A 58 1.708 -1.379 8.591 1.00 1.18 H new ATOM 0 HB3 LEU A 58 1.675 0.261 7.974 1.00 1.18 H new ATOM 0 HG LEU A 58 4.065 -1.573 7.611 1.00 1.40 H new ATOM 0 HD11 LEU A 58 3.172 -1.988 5.308 1.00 1.69 H new ATOM 0 HD12 LEU A 58 2.053 -2.592 6.553 1.00 1.69 H new ATOM 0 HD13 LEU A 58 1.711 -1.058 5.718 1.00 1.69 H new ATOM 0 HD21 LEU A 58 4.596 -0.024 5.747 1.00 1.53 H new ATOM 0 HD22 LEU A 58 3.156 0.942 6.147 1.00 1.53 H new ATOM 0 HD23 LEU A 58 4.505 0.835 7.302 1.00 1.53 H new ATOM 914 N LYS A 59 1.064 0.024 11.129 1.00 1.05 N ATOM 915 CA LYS A 59 0.148 0.679 12.071 1.00 1.09 C ATOM 916 C LYS A 59 0.897 1.290 13.255 1.00 1.12 C ATOM 917 O LYS A 59 0.600 2.432 13.597 1.00 1.09 O ATOM 918 CB LYS A 59 -1.022 -0.239 12.494 1.00 1.22 C ATOM 919 CG LYS A 59 -0.719 -1.431 13.399 1.00 1.42 C ATOM 920 CD LYS A 59 -0.669 -1.186 14.912 1.00 1.76 C ATOM 921 CE LYS A 59 -1.895 -1.737 15.652 1.00 1.33 C ATOM 922 NZ LYS A 59 -2.957 -0.716 15.803 1.00 1.70 N ATOM 0 H LYS A 59 0.899 -0.974 11.000 1.00 1.05 H new ATOM 0 HA LYS A 59 -0.317 1.511 11.542 1.00 1.09 H new ATOM 0 HB2 LYS A 59 -1.764 0.380 12.998 1.00 1.22 H new ATOM 0 HB3 LYS A 59 -1.489 -0.621 11.586 1.00 1.22 H new ATOM 0 HG2 LYS A 59 -1.472 -2.196 13.208 1.00 1.42 H new ATOM 0 HG3 LYS A 59 0.242 -1.846 13.095 1.00 1.42 H new ATOM 0 HD2 LYS A 59 0.231 -1.647 15.319 1.00 1.76 H new ATOM 0 HD3 LYS A 59 -0.591 -0.115 15.098 1.00 1.76 H new ATOM 0 HE2 LYS A 59 -2.291 -2.595 15.108 1.00 1.33 H new ATOM 0 HE3 LYS A 59 -1.594 -2.095 16.636 1.00 1.33 H new ATOM 0 HZ1 LYS A 59 -3.665 -1.050 16.488 1.00 1.70 H new ATOM 0 HZ2 LYS A 59 -2.538 0.173 16.143 1.00 1.70 H new ATOM 0 HZ3 LYS A 59 -3.415 -0.553 14.884 1.00 1.70 H new ATOM 936 N ARG A 60 1.860 0.587 13.876 1.00 1.19 N ATOM 937 CA ARG A 60 2.579 1.100 15.054 1.00 1.34 C ATOM 938 C ARG A 60 3.276 2.436 14.782 1.00 1.58 C ATOM 939 O ARG A 60 3.290 3.278 15.678 1.00 1.70 O ATOM 940 CB ARG A 60 3.602 0.081 15.583 1.00 1.39 C ATOM 941 CG ARG A 60 3.043 -0.804 16.705 1.00 1.64 C ATOM 942 CD ARG A 60 2.787 -0.002 17.997 1.00 2.16 C ATOM 943 NE ARG A 60 1.363 0.031 18.381 1.00 3.54 N ATOM 944 CZ ARG A 60 0.659 -0.946 18.937 1.00 4.88 C ATOM 945 NH1 ARG A 60 1.190 -2.123 19.205 1.00 5.14 N ATOM 946 NH2 ARG A 60 -0.604 -0.728 19.229 1.00 6.41 N ATOM 0 H ARG A 60 2.159 -0.342 13.580 1.00 1.19 H new ATOM 0 HA ARG A 60 1.818 1.267 15.817 1.00 1.34 H new ATOM 0 HB2 ARG A 60 3.935 -0.552 14.760 1.00 1.39 H new ATOM 0 HB3 ARG A 60 4.479 0.613 15.951 1.00 1.39 H new ATOM 0 HG2 ARG A 60 2.113 -1.265 16.374 1.00 1.64 H new ATOM 0 HG3 ARG A 60 3.744 -1.613 16.913 1.00 1.64 H new ATOM 0 HD2 ARG A 60 3.367 -0.438 18.810 1.00 2.16 H new ATOM 0 HD3 ARG A 60 3.145 1.019 17.862 1.00 2.16 H new ATOM 0 HE ARG A 60 0.864 0.902 18.199 1.00 3.54 H new ATOM 0 HH11 ARG A 60 2.169 -2.303 18.984 1.00 5.14 H new ATOM 0 HH12 ARG A 60 0.621 -2.854 19.633 1.00 5.14 H new ATOM 0 HH21 ARG A 60 -1.025 0.179 19.028 1.00 6.41 H new ATOM 0 HH22 ARG A 60 -1.163 -1.466 19.657 1.00 6.41 H new ATOM 960 N ALA A 61 3.786 2.642 13.565 1.00 1.38 N ATOM 961 CA ALA A 61 4.304 3.934 13.123 1.00 1.43 C ATOM 962 C ALA A 61 3.183 4.985 13.004 1.00 1.48 C ATOM 963 O ALA A 61 3.272 6.076 13.560 1.00 1.66 O ATOM 964 CB ALA A 61 5.035 3.709 11.791 1.00 1.48 C ATOM 0 H ALA A 61 3.850 1.911 12.856 1.00 1.38 H new ATOM 0 HA ALA A 61 5.000 4.335 13.860 1.00 1.43 H new ATOM 0 HB1 ALA A 61 5.436 4.657 11.431 1.00 1.48 H new ATOM 0 HB2 ALA A 61 5.852 3.003 11.939 1.00 1.48 H new ATOM 0 HB3 ALA A 61 4.337 3.308 11.056 1.00 1.48 H new ATOM 970 N TYR A 62 2.093 4.636 12.316 1.00 1.24 N ATOM 971 CA TYR A 62 0.968 5.528 12.018 1.00 1.26 C ATOM 972 C TYR A 62 0.200 6.057 13.239 1.00 1.55 C ATOM 973 O TYR A 62 -0.126 7.244 13.291 1.00 1.73 O ATOM 974 CB TYR A 62 -0.008 4.766 11.125 1.00 1.36 C ATOM 975 CG TYR A 62 -0.290 5.421 9.825 1.00 2.22 C ATOM 976 CD1 TYR A 62 0.641 5.350 8.777 1.00 4.15 C ATOM 977 CD2 TYR A 62 -1.537 6.038 9.675 1.00 2.45 C ATOM 978 CE1 TYR A 62 0.330 5.930 7.538 1.00 5.54 C ATOM 979 CE2 TYR A 62 -1.892 6.529 8.412 1.00 3.52 C ATOM 980 CZ TYR A 62 -0.941 6.518 7.363 1.00 4.95 C ATOM 981 OH TYR A 62 -1.257 7.128 6.197 1.00 6.30 O ATOM 0 H TYR A 62 1.964 3.697 11.939 1.00 1.24 H new ATOM 0 HA TYR A 62 1.397 6.409 11.541 1.00 1.26 H new ATOM 0 HB2 TYR A 62 0.393 3.770 10.937 1.00 1.36 H new ATOM 0 HB3 TYR A 62 -0.947 4.635 11.663 1.00 1.36 H new ATOM 0 HD1 TYR A 62 1.589 4.853 8.923 1.00 4.15 H new ATOM 0 HD2 TYR A 62 -2.210 6.133 10.514 1.00 2.45 H new ATOM 0 HE1 TYR A 62 1.050 5.927 6.733 1.00 5.54 H new ATOM 0 HE2 TYR A 62 -2.886 6.914 8.239 1.00 3.52 H new ATOM 0 HH TYR A 62 -0.899 6.607 5.448 1.00 6.30 H new ATOM 991 N GLU A 63 -0.096 5.191 14.215 1.00 1.54 N ATOM 992 CA GLU A 63 -0.801 5.585 15.445 1.00 1.95 C ATOM 993 C GLU A 63 0.087 6.455 16.370 1.00 2.13 C ATOM 994 O GLU A 63 -0.374 6.955 17.396 1.00 2.52 O ATOM 995 CB GLU A 63 -1.428 4.409 16.248 1.00 2.35 C ATOM 996 CG GLU A 63 -0.698 3.062 16.169 1.00 1.66 C ATOM 997 CD GLU A 63 -0.864 2.168 17.394 1.00 2.21 C ATOM 998 OE1 GLU A 63 -0.234 2.457 18.437 1.00 2.90 O ATOM 999 OE2 GLU A 63 -1.499 1.092 17.289 1.00 2.94 O ATOM 0 H GLU A 63 0.144 4.200 14.177 1.00 1.54 H new ATOM 0 HA GLU A 63 -1.640 6.182 15.087 1.00 1.95 H new ATOM 0 HB2 GLU A 63 -1.487 4.704 17.296 1.00 2.35 H new ATOM 0 HB3 GLU A 63 -2.450 4.264 15.899 1.00 2.35 H new ATOM 0 HG2 GLU A 63 -1.056 2.522 15.292 1.00 1.66 H new ATOM 0 HG3 GLU A 63 0.365 3.250 16.016 1.00 1.66 H new ATOM 1006 N LYS A 64 1.398 6.526 16.113 1.00 1.98 N ATOM 1007 CA LYS A 64 2.354 7.362 16.857 1.00 2.22 C ATOM 1008 C LYS A 64 2.580 8.745 16.203 1.00 2.17 C ATOM 1009 O LYS A 64 3.220 9.612 16.801 1.00 2.37 O ATOM 1010 CB LYS A 64 3.657 6.555 17.018 1.00 2.43 C ATOM 1011 CG LYS A 64 3.748 5.678 18.286 1.00 3.65 C ATOM 1012 CD LYS A 64 2.533 4.784 18.598 1.00 5.38 C ATOM 1013 CE LYS A 64 1.571 5.457 19.592 1.00 6.93 C ATOM 1014 NZ LYS A 64 0.169 5.025 19.395 1.00 9.00 N ATOM 0 H LYS A 64 1.837 5.991 15.364 1.00 1.98 H new ATOM 0 HA LYS A 64 1.946 7.597 17.840 1.00 2.22 H new ATOM 0 HB2 LYS A 64 3.776 5.913 16.145 1.00 2.43 H new ATOM 0 HB3 LYS A 64 4.496 7.251 17.018 1.00 2.43 H new ATOM 0 HG2 LYS A 64 4.626 5.039 18.195 1.00 3.65 H new ATOM 0 HG3 LYS A 64 3.917 6.333 19.141 1.00 3.65 H new ATOM 0 HD2 LYS A 64 2.001 4.557 17.674 1.00 5.38 H new ATOM 0 HD3 LYS A 64 2.876 3.835 19.010 1.00 5.38 H new ATOM 0 HE2 LYS A 64 1.882 5.223 20.610 1.00 6.93 H new ATOM 0 HE3 LYS A 64 1.635 6.539 19.480 1.00 6.93 H new ATOM 0 HZ1 LYS A 64 -0.312 4.977 20.316 1.00 9.00 H new ATOM 0 HZ2 LYS A 64 -0.322 5.708 18.783 1.00 9.00 H new ATOM 0 HZ3 LYS A 64 0.155 4.086 18.947 1.00 9.00 H new ATOM 1028 N LEU A 65 2.024 8.988 15.011 1.00 1.83 N ATOM 1029 CA LEU A 65 2.035 10.299 14.357 1.00 1.80 C ATOM 1030 C LEU A 65 1.131 11.298 15.118 1.00 2.08 C ATOM 1031 O LEU A 65 0.015 10.929 15.487 1.00 2.35 O ATOM 1032 CB LEU A 65 1.572 10.144 12.896 1.00 1.77 C ATOM 1033 CG LEU A 65 2.507 9.340 11.969 1.00 1.43 C ATOM 1034 CD1 LEU A 65 1.863 9.249 10.581 1.00 1.69 C ATOM 1035 CD2 LEU A 65 3.901 9.977 11.845 1.00 1.68 C ATOM 0 H LEU A 65 1.547 8.269 14.467 1.00 1.83 H new ATOM 0 HA LEU A 65 3.050 10.697 14.369 1.00 1.80 H new ATOM 0 HB2 LEU A 65 0.593 9.664 12.895 1.00 1.77 H new ATOM 0 HB3 LEU A 65 1.440 11.139 12.471 1.00 1.77 H new ATOM 0 HG LEU A 65 2.642 8.350 12.404 1.00 1.43 H new ATOM 0 HD11 LEU A 65 2.514 8.683 9.914 1.00 1.69 H new ATOM 0 HD12 LEU A 65 0.899 8.747 10.660 1.00 1.69 H new ATOM 0 HD13 LEU A 65 1.718 10.252 10.181 1.00 1.69 H new ATOM 0 HD21 LEU A 65 4.520 9.372 11.182 1.00 1.68 H new ATOM 0 HD22 LEU A 65 3.806 10.983 11.436 1.00 1.68 H new ATOM 0 HD23 LEU A 65 4.367 10.028 12.829 1.00 1.68 H new ATOM 1047 N PRO A 66 1.559 12.566 15.320 1.00 1.88 N ATOM 1048 CA PRO A 66 0.753 13.602 15.968 1.00 2.03 C ATOM 1049 C PRO A 66 -0.394 14.067 15.054 1.00 1.93 C ATOM 1050 O PRO A 66 -0.324 13.837 13.845 1.00 1.62 O ATOM 1051 CB PRO A 66 1.727 14.754 16.245 1.00 2.10 C ATOM 1052 CG PRO A 66 2.752 14.628 15.122 1.00 1.95 C ATOM 1053 CD PRO A 66 2.843 13.120 14.909 1.00 1.90 C ATOM 0 HA PRO A 66 0.284 13.234 16.880 1.00 2.03 H new ATOM 0 HB2 PRO A 66 1.223 15.720 16.223 1.00 2.10 H new ATOM 0 HB3 PRO A 66 2.192 14.660 17.226 1.00 2.10 H new ATOM 0 HG2 PRO A 66 2.427 15.144 14.219 1.00 1.95 H new ATOM 0 HG3 PRO A 66 3.715 15.055 15.404 1.00 1.95 H new ATOM 0 HD2 PRO A 66 3.049 12.888 13.864 1.00 1.90 H new ATOM 0 HD3 PRO A 66 3.656 12.693 15.497 1.00 1.90 H new ATOM 1061 N PRO A 67 -1.406 14.792 15.576 1.00 1.72 N ATOM 1062 CA PRO A 67 -2.495 15.329 14.763 1.00 1.73 C ATOM 1063 C PRO A 67 -2.012 16.233 13.618 1.00 1.60 C ATOM 1064 O PRO A 67 -2.640 16.250 12.564 1.00 1.63 O ATOM 1065 CB PRO A 67 -3.424 16.064 15.736 1.00 2.09 C ATOM 1066 CG PRO A 67 -2.545 16.348 16.952 1.00 2.08 C ATOM 1067 CD PRO A 67 -1.600 15.150 16.973 1.00 2.00 C ATOM 0 HA PRO A 67 -3.018 14.522 14.249 1.00 1.73 H new ATOM 0 HB2 PRO A 67 -3.809 16.985 15.299 1.00 2.09 H new ATOM 0 HB3 PRO A 67 -4.286 15.452 16.002 1.00 2.09 H new ATOM 0 HG2 PRO A 67 -2.004 17.288 16.849 1.00 2.08 H new ATOM 0 HG3 PRO A 67 -3.132 16.417 17.868 1.00 2.08 H new ATOM 0 HD2 PRO A 67 -0.653 15.404 17.450 1.00 2.00 H new ATOM 0 HD3 PRO A 67 -2.028 14.321 17.536 1.00 2.00 H new ATOM 1075 N LYS A 68 -0.862 16.913 13.752 1.00 1.36 N ATOM 1076 CA LYS A 68 -0.335 17.770 12.676 1.00 1.39 C ATOM 1077 C LYS A 68 0.256 16.961 11.506 1.00 1.51 C ATOM 1078 O LYS A 68 0.251 17.404 10.356 1.00 1.61 O ATOM 1079 CB LYS A 68 0.675 18.783 13.263 1.00 1.65 C ATOM 1080 CG LYS A 68 -0.001 20.139 13.548 1.00 1.98 C ATOM 1081 CD LYS A 68 -0.243 20.922 12.246 1.00 2.37 C ATOM 1082 CE LYS A 68 -1.381 21.942 12.378 1.00 2.74 C ATOM 1083 NZ LYS A 68 -1.885 22.342 11.042 1.00 3.24 N ATOM 0 H LYS A 68 -0.281 16.887 14.590 1.00 1.36 H new ATOM 0 HA LYS A 68 -1.169 18.325 12.246 1.00 1.39 H new ATOM 0 HB2 LYS A 68 1.101 18.385 14.184 1.00 1.65 H new ATOM 0 HB3 LYS A 68 1.500 18.924 12.565 1.00 1.65 H new ATOM 0 HG2 LYS A 68 -0.950 19.976 14.059 1.00 1.98 H new ATOM 0 HG3 LYS A 68 0.625 20.727 14.219 1.00 1.98 H new ATOM 0 HD2 LYS A 68 0.673 21.439 11.961 1.00 2.37 H new ATOM 0 HD3 LYS A 68 -0.477 20.223 11.443 1.00 2.37 H new ATOM 0 HE2 LYS A 68 -2.193 21.514 12.965 1.00 2.74 H new ATOM 0 HE3 LYS A 68 -1.027 22.821 12.917 1.00 2.74 H new ATOM 0 HZ1 LYS A 68 -2.099 23.360 11.042 1.00 3.24 H new ATOM 0 HZ2 LYS A 68 -1.161 22.140 10.323 1.00 3.24 H new ATOM 0 HZ3 LYS A 68 -2.749 21.807 10.822 1.00 3.24 H new ATOM 1097 N ALA A 69 0.718 15.740 11.786 1.00 1.18 N ATOM 1098 CA ALA A 69 0.946 14.738 10.759 1.00 1.18 C ATOM 1099 C ALA A 69 -0.376 14.168 10.229 1.00 1.26 C ATOM 1100 O ALA A 69 -0.523 14.081 9.018 1.00 1.35 O ATOM 1101 CB ALA A 69 1.891 13.672 11.311 1.00 1.56 C ATOM 0 H ALA A 69 0.942 15.425 12.730 1.00 1.18 H new ATOM 0 HA ALA A 69 1.426 15.193 9.892 1.00 1.18 H new ATOM 0 HB1 ALA A 69 2.070 12.914 10.548 1.00 1.56 H new ATOM 0 HB2 ALA A 69 2.837 14.135 11.591 1.00 1.56 H new ATOM 0 HB3 ALA A 69 1.441 13.206 12.188 1.00 1.56 H new ATOM 1107 N GLN A 70 -1.353 13.836 11.078 1.00 1.28 N ATOM 1108 CA GLN A 70 -2.575 13.135 10.657 1.00 1.52 C ATOM 1109 C GLN A 70 -3.362 13.860 9.553 1.00 1.55 C ATOM 1110 O GLN A 70 -3.918 13.184 8.689 1.00 1.91 O ATOM 1111 CB GLN A 70 -3.461 12.840 11.866 1.00 1.85 C ATOM 1112 CG GLN A 70 -2.837 11.781 12.790 1.00 1.56 C ATOM 1113 CD GLN A 70 -3.483 11.777 14.169 1.00 2.01 C ATOM 1114 OE1 GLN A 70 -4.617 12.174 14.363 1.00 2.61 O ATOM 1115 NE2 GLN A 70 -2.783 11.376 15.205 1.00 2.73 N ATOM 0 H GLN A 70 -1.322 14.044 12.076 1.00 1.28 H new ATOM 0 HA GLN A 70 -2.251 12.196 10.210 1.00 1.52 H new ATOM 0 HB2 GLN A 70 -3.627 13.759 12.428 1.00 1.85 H new ATOM 0 HB3 GLN A 70 -4.437 12.495 11.525 1.00 1.85 H new ATOM 0 HG2 GLN A 70 -2.944 10.796 12.336 1.00 1.56 H new ATOM 0 HG3 GLN A 70 -1.768 11.971 12.890 1.00 1.56 H new ATOM 0 HE21 GLN A 70 -1.829 11.038 15.076 1.00 2.73 H new ATOM 0 HE22 GLN A 70 -3.193 11.403 16.139 1.00 2.73 H new ATOM 1124 N GLU A 71 -3.305 15.199 9.493 1.00 1.43 N ATOM 1125 CA GLU A 71 -3.845 16.049 8.405 1.00 1.58 C ATOM 1126 C GLU A 71 -3.573 15.527 6.983 1.00 1.48 C ATOM 1127 O GLU A 71 -4.295 15.878 6.045 1.00 1.89 O ATOM 1128 CB GLU A 71 -3.250 17.473 8.465 1.00 1.72 C ATOM 1129 CG GLU A 71 -3.115 18.005 9.887 1.00 1.92 C ATOM 1130 CD GLU A 71 -2.809 19.501 9.956 1.00 2.61 C ATOM 1131 OE1 GLU A 71 -1.782 19.949 9.395 1.00 3.39 O ATOM 1132 OE2 GLU A 71 -3.518 20.243 10.661 1.00 3.18 O ATOM 0 H GLU A 71 -2.864 15.749 10.230 1.00 1.43 H new ATOM 0 HA GLU A 71 -4.921 16.038 8.581 1.00 1.58 H new ATOM 0 HB2 GLU A 71 -2.269 17.471 7.990 1.00 1.72 H new ATOM 0 HB3 GLU A 71 -3.882 18.149 7.889 1.00 1.72 H new ATOM 0 HG2 GLU A 71 -4.040 17.807 10.429 1.00 1.92 H new ATOM 0 HG3 GLU A 71 -2.323 17.457 10.397 1.00 1.92 H new ATOM 1139 N ARG A 72 -2.519 14.721 6.829 1.00 0.98 N ATOM 1140 CA ARG A 72 -2.109 14.101 5.572 1.00 1.01 C ATOM 1141 C ARG A 72 -2.072 12.551 5.537 1.00 1.45 C ATOM 1142 O ARG A 72 -1.509 12.033 4.575 1.00 1.70 O ATOM 1143 CB ARG A 72 -0.814 14.762 5.069 1.00 1.22 C ATOM 1144 CG ARG A 72 0.379 14.688 6.031 1.00 1.55 C ATOM 1145 CD ARG A 72 0.469 15.928 6.934 1.00 1.57 C ATOM 1146 NE ARG A 72 1.114 17.040 6.229 1.00 1.83 N ATOM 1147 CZ ARG A 72 0.989 18.340 6.440 1.00 2.51 C ATOM 1148 NH1 ARG A 72 0.276 18.852 7.429 1.00 3.58 N ATOM 1149 NH2 ARG A 72 1.626 19.125 5.602 1.00 3.00 N ATOM 0 H ARG A 72 -1.907 14.475 7.607 1.00 0.98 H new ATOM 0 HA ARG A 72 -2.916 14.301 4.867 1.00 1.01 H new ATOM 0 HB2 ARG A 72 -0.529 14.293 4.127 1.00 1.22 H new ATOM 0 HB3 ARG A 72 -1.021 15.810 4.854 1.00 1.22 H new ATOM 0 HG2 ARG A 72 0.291 13.795 6.650 1.00 1.55 H new ATOM 0 HG3 ARG A 72 1.301 14.589 5.458 1.00 1.55 H new ATOM 0 HD2 ARG A 72 -0.530 16.224 7.253 1.00 1.57 H new ATOM 0 HD3 ARG A 72 1.033 15.687 7.835 1.00 1.57 H new ATOM 0 HE ARG A 72 1.745 16.775 5.473 1.00 1.83 H new ATOM 0 HH11 ARG A 72 -0.213 18.235 8.078 1.00 3.58 H new ATOM 0 HH12 ARG A 72 0.215 19.864 7.543 1.00 3.58 H new ATOM 0 HH21 ARG A 72 2.176 18.722 4.844 1.00 3.00 H new ATOM 0 HH22 ARG A 72 1.571 20.138 5.709 1.00 3.00 H new ATOM 1163 N VAL A 73 -2.602 11.797 6.511 1.00 1.39 N ATOM 1164 CA VAL A 73 -2.355 10.325 6.621 1.00 1.57 C ATOM 1165 C VAL A 73 -3.498 9.458 6.029 1.00 1.63 C ATOM 1166 O VAL A 73 -4.582 9.391 6.602 1.00 2.05 O ATOM 1167 CB VAL A 73 -1.950 9.888 8.074 1.00 2.20 C ATOM 1168 CG1 VAL A 73 -0.766 10.740 8.546 1.00 2.96 C ATOM 1169 CG2 VAL A 73 -3.081 9.896 9.117 1.00 4.40 C ATOM 0 H VAL A 73 -3.208 12.170 7.242 1.00 1.39 H new ATOM 0 HA VAL A 73 -1.489 10.128 5.989 1.00 1.57 H new ATOM 0 HB VAL A 73 -1.673 8.836 7.998 1.00 2.20 H new ATOM 0 HG11 VAL A 73 -0.481 10.440 9.555 1.00 2.96 H new ATOM 0 HG12 VAL A 73 0.078 10.595 7.872 1.00 2.96 H new ATOM 0 HG13 VAL A 73 -1.052 11.792 8.547 1.00 2.96 H new ATOM 0 HG21 VAL A 73 -2.688 9.578 10.082 1.00 4.40 H new ATOM 0 HG22 VAL A 73 -3.488 10.904 9.205 1.00 4.40 H new ATOM 0 HG23 VAL A 73 -3.870 9.213 8.803 1.00 4.40 H new ATOM 1179 N GLN A 74 -3.254 8.735 4.915 1.00 1.04 N ATOM 1180 CA GLN A 74 -4.068 7.581 4.471 1.00 0.92 C ATOM 1181 C GLN A 74 -3.175 6.452 3.910 1.00 1.03 C ATOM 1182 O GLN A 74 -2.103 6.732 3.389 1.00 1.19 O ATOM 1183 CB GLN A 74 -5.072 7.958 3.364 1.00 1.05 C ATOM 1184 CG GLN A 74 -6.082 9.070 3.697 1.00 1.46 C ATOM 1185 CD GLN A 74 -5.613 10.439 3.211 1.00 2.57 C ATOM 1186 OE1 GLN A 74 -5.151 11.286 3.962 1.00 3.24 O ATOM 1187 NE2 GLN A 74 -5.706 10.697 1.922 1.00 4.11 N ATOM 0 H GLN A 74 -2.475 8.939 4.289 1.00 1.04 H new ATOM 0 HA GLN A 74 -4.608 7.248 5.357 1.00 0.92 H new ATOM 0 HB2 GLN A 74 -4.508 8.263 2.483 1.00 1.05 H new ATOM 0 HB3 GLN A 74 -5.630 7.062 3.091 1.00 1.05 H new ATOM 0 HG2 GLN A 74 -7.043 8.834 3.241 1.00 1.46 H new ATOM 0 HG3 GLN A 74 -6.241 9.104 4.775 1.00 1.46 H new ATOM 0 HE21 GLN A 74 -6.090 9.996 1.288 1.00 4.11 H new ATOM 0 HE22 GLN A 74 -5.394 11.597 1.558 1.00 4.11 H new ATOM 1196 N VAL A 75 -3.619 5.187 3.957 1.00 0.87 N ATOM 1197 CA VAL A 75 -2.919 4.050 3.324 1.00 0.94 C ATOM 1198 C VAL A 75 -3.910 3.213 2.511 1.00 1.05 C ATOM 1199 O VAL A 75 -5.060 3.033 2.915 1.00 1.27 O ATOM 1200 CB VAL A 75 -2.248 3.128 4.368 1.00 1.09 C ATOM 1201 CG1 VAL A 75 -1.410 2.018 3.703 1.00 1.29 C ATOM 1202 CG2 VAL A 75 -1.363 3.891 5.360 1.00 1.23 C ATOM 0 H VAL A 75 -4.478 4.919 4.437 1.00 0.87 H new ATOM 0 HA VAL A 75 -2.146 4.470 2.680 1.00 0.94 H new ATOM 0 HB VAL A 75 -3.073 2.678 4.920 1.00 1.09 H new ATOM 0 HG11 VAL A 75 -0.957 1.394 4.473 1.00 1.29 H new ATOM 0 HG12 VAL A 75 -2.053 1.405 3.071 1.00 1.29 H new ATOM 0 HG13 VAL A 75 -0.627 2.469 3.094 1.00 1.29 H new ATOM 0 HG21 VAL A 75 -0.920 3.189 6.067 1.00 1.23 H new ATOM 0 HG22 VAL A 75 -0.571 4.408 4.818 1.00 1.23 H new ATOM 0 HG23 VAL A 75 -1.967 4.619 5.901 1.00 1.23 H new ATOM 1212 N ILE A 76 -3.453 2.645 1.395 1.00 0.86 N ATOM 1213 CA ILE A 76 -4.196 1.637 0.632 1.00 0.83 C ATOM 1214 C ILE A 76 -3.555 0.251 0.793 1.00 0.86 C ATOM 1215 O ILE A 76 -2.355 0.073 0.571 1.00 1.19 O ATOM 1216 CB ILE A 76 -4.275 2.060 -0.848 1.00 1.20 C ATOM 1217 CG1 ILE A 76 -4.946 3.440 -1.057 1.00 1.57 C ATOM 1218 CG2 ILE A 76 -5.002 0.994 -1.681 1.00 1.36 C ATOM 1219 CD1 ILE A 76 -6.316 3.634 -0.395 1.00 1.82 C ATOM 0 H ILE A 76 -2.546 2.873 0.989 1.00 0.86 H new ATOM 0 HA ILE A 76 -5.212 1.568 1.022 1.00 0.83 H new ATOM 0 HB ILE A 76 -3.244 2.153 -1.189 1.00 1.20 H new ATOM 0 HG12 ILE A 76 -4.272 4.209 -0.681 1.00 1.57 H new ATOM 0 HG13 ILE A 76 -5.056 3.609 -2.128 1.00 1.57 H new ATOM 0 HG21 ILE A 76 -5.046 1.314 -2.722 1.00 1.36 H new ATOM 0 HG22 ILE A 76 -4.462 0.049 -1.614 1.00 1.36 H new ATOM 0 HG23 ILE A 76 -6.014 0.862 -1.299 1.00 1.36 H new ATOM 0 HD11 ILE A 76 -6.686 4.636 -0.611 1.00 1.82 H new ATOM 0 HD12 ILE A 76 -7.017 2.897 -0.787 1.00 1.82 H new ATOM 0 HD13 ILE A 76 -6.220 3.507 0.683 1.00 1.82 H new ATOM 1231 N PHE A 77 -4.381 -0.744 1.114 1.00 0.64 N ATOM 1232 CA PHE A 77 -4.073 -2.154 0.916 1.00 0.65 C ATOM 1233 C PHE A 77 -4.779 -2.605 -0.369 1.00 1.36 C ATOM 1234 O PHE A 77 -6.009 -2.564 -0.432 1.00 1.73 O ATOM 1235 CB PHE A 77 -4.567 -2.941 2.141 1.00 0.61 C ATOM 1236 CG PHE A 77 -4.297 -4.433 2.082 1.00 0.81 C ATOM 1237 CD1 PHE A 77 -3.084 -4.950 2.573 1.00 2.18 C ATOM 1238 CD2 PHE A 77 -5.265 -5.311 1.555 1.00 1.57 C ATOM 1239 CE1 PHE A 77 -2.837 -6.335 2.535 1.00 2.13 C ATOM 1240 CE2 PHE A 77 -5.020 -6.696 1.522 1.00 1.64 C ATOM 1241 CZ PHE A 77 -3.804 -7.208 2.008 1.00 1.16 C ATOM 0 H PHE A 77 -5.300 -0.586 1.527 1.00 0.64 H new ATOM 0 HA PHE A 77 -3.002 -2.329 0.814 1.00 0.65 H new ATOM 0 HB2 PHE A 77 -4.093 -2.534 3.034 1.00 0.61 H new ATOM 0 HB3 PHE A 77 -5.640 -2.783 2.250 1.00 0.61 H new ATOM 0 HD1 PHE A 77 -2.340 -4.282 2.980 1.00 2.18 H new ATOM 0 HD2 PHE A 77 -6.197 -4.920 1.175 1.00 1.57 H new ATOM 0 HE1 PHE A 77 -1.904 -6.727 2.911 1.00 2.13 H new ATOM 0 HE2 PHE A 77 -5.767 -7.367 1.123 1.00 1.64 H new ATOM 0 HZ PHE A 77 -3.613 -8.271 1.976 1.00 1.16 H new ATOM 1251 N VAL A 78 -4.023 -3.045 -1.381 1.00 0.69 N ATOM 1252 CA VAL A 78 -4.610 -3.638 -2.595 1.00 0.77 C ATOM 1253 C VAL A 78 -4.524 -5.158 -2.464 1.00 1.07 C ATOM 1254 O VAL A 78 -3.434 -5.690 -2.227 1.00 1.27 O ATOM 1255 CB VAL A 78 -3.917 -3.156 -3.890 1.00 0.93 C ATOM 1256 CG1 VAL A 78 -4.569 -3.762 -5.146 1.00 1.36 C ATOM 1257 CG2 VAL A 78 -3.976 -1.623 -3.999 1.00 1.10 C ATOM 0 H VAL A 78 -3.004 -3.003 -1.387 1.00 0.69 H new ATOM 0 HA VAL A 78 -5.648 -3.316 -2.678 1.00 0.77 H new ATOM 0 HB VAL A 78 -2.880 -3.488 -3.834 1.00 0.93 H new ATOM 0 HG11 VAL A 78 -4.053 -3.399 -6.035 1.00 1.36 H new ATOM 0 HG12 VAL A 78 -4.498 -4.849 -5.104 1.00 1.36 H new ATOM 0 HG13 VAL A 78 -5.618 -3.468 -5.189 1.00 1.36 H new ATOM 0 HG21 VAL A 78 -3.483 -1.304 -4.917 1.00 1.10 H new ATOM 0 HG22 VAL A 78 -5.017 -1.299 -4.015 1.00 1.10 H new ATOM 0 HG23 VAL A 78 -3.470 -1.178 -3.142 1.00 1.10 H new ATOM 1267 N SER A 79 -5.660 -5.853 -2.598 1.00 0.88 N ATOM 1268 CA SER A 79 -5.655 -7.318 -2.644 1.00 1.00 C ATOM 1269 C SER A 79 -5.426 -7.887 -4.060 1.00 1.08 C ATOM 1270 O SER A 79 -5.864 -7.326 -5.064 1.00 1.34 O ATOM 1271 CB SER A 79 -6.835 -7.975 -1.922 1.00 1.63 C ATOM 1272 OG SER A 79 -8.100 -7.562 -2.373 1.00 2.02 O ATOM 0 H SER A 79 -6.585 -5.429 -2.676 1.00 0.88 H new ATOM 0 HA SER A 79 -4.778 -7.601 -2.062 1.00 1.00 H new ATOM 0 HB2 SER A 79 -6.758 -9.056 -2.037 1.00 1.63 H new ATOM 0 HB3 SER A 79 -6.756 -7.761 -0.856 1.00 1.63 H new ATOM 0 HG SER A 79 -8.743 -8.292 -2.256 1.00 2.02 H new ATOM 1278 N VAL A 80 -4.701 -9.009 -4.141 1.00 1.03 N ATOM 1279 CA VAL A 80 -4.071 -9.510 -5.391 1.00 1.04 C ATOM 1280 C VAL A 80 -4.617 -10.864 -5.875 1.00 1.59 C ATOM 1281 O VAL A 80 -4.186 -11.382 -6.904 1.00 1.86 O ATOM 1282 CB VAL A 80 -2.535 -9.599 -5.247 1.00 0.91 C ATOM 1283 CG1 VAL A 80 -1.909 -8.237 -4.892 1.00 1.97 C ATOM 1284 CG2 VAL A 80 -2.136 -10.692 -4.237 1.00 2.25 C ATOM 0 H VAL A 80 -4.527 -9.610 -3.335 1.00 1.03 H new ATOM 0 HA VAL A 80 -4.335 -8.773 -6.150 1.00 1.04 H new ATOM 0 HB VAL A 80 -2.132 -9.884 -6.219 1.00 0.91 H new ATOM 0 HG11 VAL A 80 -0.828 -8.346 -4.800 1.00 1.97 H new ATOM 0 HG12 VAL A 80 -2.136 -7.516 -5.678 1.00 1.97 H new ATOM 0 HG13 VAL A 80 -2.319 -7.883 -3.946 1.00 1.97 H new ATOM 0 HG21 VAL A 80 -1.050 -10.733 -4.155 1.00 2.25 H new ATOM 0 HG22 VAL A 80 -2.565 -10.460 -3.262 1.00 2.25 H new ATOM 0 HG23 VAL A 80 -2.511 -11.657 -4.578 1.00 2.25 H new ATOM 1294 N ASP A 81 -5.583 -11.425 -5.138 1.00 1.34 N ATOM 1295 CA ASP A 81 -6.400 -12.579 -5.544 1.00 1.43 C ATOM 1296 C ASP A 81 -7.882 -12.148 -5.591 1.00 1.35 C ATOM 1297 O ASP A 81 -8.668 -12.563 -4.740 1.00 1.51 O ATOM 1298 CB ASP A 81 -6.148 -13.773 -4.593 1.00 1.57 C ATOM 1299 CG ASP A 81 -6.906 -15.056 -4.987 1.00 2.19 C ATOM 1300 OD1 ASP A 81 -7.403 -15.135 -6.138 1.00 2.56 O ATOM 1301 OD2 ASP A 81 -6.977 -15.991 -4.152 1.00 3.24 O ATOM 0 H ASP A 81 -5.827 -11.078 -4.211 1.00 1.34 H new ATOM 0 HA ASP A 81 -6.120 -12.917 -6.542 1.00 1.43 H new ATOM 0 HB2 ASP A 81 -5.079 -13.987 -4.569 1.00 1.57 H new ATOM 0 HB3 ASP A 81 -6.438 -13.487 -3.582 1.00 1.57 H new ATOM 1306 N PRO A 82 -8.290 -11.265 -6.529 1.00 1.25 N ATOM 1307 CA PRO A 82 -9.623 -10.654 -6.534 1.00 1.31 C ATOM 1308 C PRO A 82 -10.759 -11.653 -6.808 1.00 1.32 C ATOM 1309 O PRO A 82 -11.911 -11.347 -6.519 1.00 1.57 O ATOM 1310 CB PRO A 82 -9.561 -9.544 -7.591 1.00 1.57 C ATOM 1311 CG PRO A 82 -8.483 -10.032 -8.555 1.00 1.62 C ATOM 1312 CD PRO A 82 -7.491 -10.717 -7.617 1.00 1.47 C ATOM 0 HA PRO A 82 -9.864 -10.262 -5.546 1.00 1.31 H new ATOM 0 HB2 PRO A 82 -10.520 -9.414 -8.093 1.00 1.57 H new ATOM 0 HB3 PRO A 82 -9.299 -8.583 -7.149 1.00 1.57 H new ATOM 0 HG2 PRO A 82 -8.884 -10.722 -9.297 1.00 1.62 H new ATOM 0 HG3 PRO A 82 -8.023 -9.208 -9.101 1.00 1.62 H new ATOM 0 HD2 PRO A 82 -6.942 -11.504 -8.135 1.00 1.47 H new ATOM 0 HD3 PRO A 82 -6.753 -10.008 -7.242 1.00 1.47 H new ATOM 1320 N GLU A 83 -10.453 -12.867 -7.287 1.00 1.04 N ATOM 1321 CA GLU A 83 -11.423 -13.965 -7.421 1.00 1.09 C ATOM 1322 C GLU A 83 -11.595 -14.755 -6.102 1.00 1.34 C ATOM 1323 O GLU A 83 -11.976 -15.936 -6.124 1.00 1.95 O ATOM 1324 CB GLU A 83 -11.009 -14.905 -8.555 1.00 1.19 C ATOM 1325 CG GLU A 83 -10.875 -14.256 -9.930 1.00 1.85 C ATOM 1326 CD GLU A 83 -10.348 -15.233 -10.979 1.00 2.24 C ATOM 1327 OE1 GLU A 83 -10.175 -16.453 -10.715 1.00 2.54 O ATOM 1328 OE2 GLU A 83 -9.997 -14.732 -12.067 1.00 3.21 O ATOM 0 H GLU A 83 -9.514 -13.118 -7.596 1.00 1.04 H new ATOM 0 HA GLU A 83 -12.388 -13.519 -7.660 1.00 1.09 H new ATOM 0 HB2 GLU A 83 -10.055 -15.363 -8.294 1.00 1.19 H new ATOM 0 HB3 GLU A 83 -11.741 -15.710 -8.622 1.00 1.19 H new ATOM 0 HG2 GLU A 83 -11.846 -13.875 -10.246 1.00 1.85 H new ATOM 0 HG3 GLU A 83 -10.203 -13.400 -9.862 1.00 1.85 H new ATOM 1335 N ARG A 84 -11.281 -14.116 -4.965 1.00 0.94 N ATOM 1336 CA ARG A 84 -11.289 -14.696 -3.617 1.00 1.04 C ATOM 1337 C ARG A 84 -11.141 -13.674 -2.480 1.00 1.24 C ATOM 1338 O ARG A 84 -11.600 -13.957 -1.378 1.00 1.45 O ATOM 1339 CB ARG A 84 -10.182 -15.760 -3.504 1.00 1.26 C ATOM 1340 CG ARG A 84 -10.770 -17.114 -3.092 1.00 1.89 C ATOM 1341 CD ARG A 84 -9.681 -18.182 -3.053 1.00 2.30 C ATOM 1342 NE ARG A 84 -10.238 -19.478 -2.622 1.00 3.03 N ATOM 1343 CZ ARG A 84 -9.571 -20.433 -1.991 1.00 4.17 C ATOM 1344 NH1 ARG A 84 -8.287 -20.324 -1.747 1.00 5.09 N ATOM 1345 NH2 ARG A 84 -10.183 -21.519 -1.583 1.00 5.13 N ATOM 0 H ARG A 84 -11.002 -13.135 -4.962 1.00 0.94 H new ATOM 0 HA ARG A 84 -12.276 -15.140 -3.491 1.00 1.04 H new ATOM 0 HB2 ARG A 84 -9.666 -15.858 -4.459 1.00 1.26 H new ATOM 0 HB3 ARG A 84 -9.439 -15.443 -2.772 1.00 1.26 H new ATOM 0 HG2 ARG A 84 -11.240 -17.030 -2.112 1.00 1.89 H new ATOM 0 HG3 ARG A 84 -11.550 -17.407 -3.795 1.00 1.89 H new ATOM 0 HD2 ARG A 84 -9.230 -18.285 -4.040 1.00 2.30 H new ATOM 0 HD3 ARG A 84 -8.888 -17.876 -2.370 1.00 2.30 H new ATOM 0 HE ARG A 84 -11.221 -19.654 -2.827 1.00 3.03 H new ATOM 0 HH11 ARG A 84 -7.780 -19.490 -2.045 1.00 5.09 H new ATOM 0 HH12 ARG A 84 -7.795 -21.073 -1.259 1.00 5.09 H new ATOM 0 HH21 ARG A 84 -11.182 -21.635 -1.751 1.00 5.13 H new ATOM 0 HH22 ARG A 84 -9.659 -22.248 -1.098 1.00 5.13 H new ATOM 1359 N ASP A 85 -10.544 -12.506 -2.728 1.00 0.83 N ATOM 1360 CA ASP A 85 -10.256 -11.460 -1.739 1.00 0.85 C ATOM 1361 C ASP A 85 -11.085 -10.170 -2.006 1.00 1.01 C ATOM 1362 O ASP A 85 -10.528 -9.153 -2.443 1.00 1.28 O ATOM 1363 CB ASP A 85 -8.722 -11.204 -1.728 1.00 1.06 C ATOM 1364 CG ASP A 85 -8.187 -10.777 -0.362 1.00 1.22 C ATOM 1365 OD1 ASP A 85 -8.986 -10.654 0.593 1.00 2.34 O ATOM 1366 OD2 ASP A 85 -6.954 -10.607 -0.237 1.00 2.00 O ATOM 0 H ASP A 85 -10.233 -12.250 -3.665 1.00 0.83 H new ATOM 0 HA ASP A 85 -10.561 -11.793 -0.747 1.00 0.85 H new ATOM 0 HB2 ASP A 85 -8.208 -12.112 -2.044 1.00 1.06 H new ATOM 0 HB3 ASP A 85 -8.485 -10.432 -2.460 1.00 1.06 H new ATOM 1371 N PRO A 86 -12.422 -10.190 -1.805 1.00 0.67 N ATOM 1372 CA PRO A 86 -13.323 -9.097 -2.178 1.00 0.81 C ATOM 1373 C PRO A 86 -13.133 -7.868 -1.276 1.00 0.94 C ATOM 1374 O PRO A 86 -12.685 -8.013 -0.132 1.00 0.76 O ATOM 1375 CB PRO A 86 -14.741 -9.673 -2.066 1.00 0.80 C ATOM 1376 CG PRO A 86 -14.593 -10.723 -0.970 1.00 0.75 C ATOM 1377 CD PRO A 86 -13.197 -11.282 -1.232 1.00 0.66 C ATOM 0 HA PRO A 86 -13.118 -8.742 -3.188 1.00 0.81 H new ATOM 0 HB2 PRO A 86 -15.469 -8.907 -1.797 1.00 0.80 H new ATOM 0 HB3 PRO A 86 -15.074 -10.113 -3.006 1.00 0.80 H new ATOM 0 HG2 PRO A 86 -14.674 -10.285 0.025 1.00 0.75 H new ATOM 0 HG3 PRO A 86 -15.359 -11.495 -1.042 1.00 0.75 H new ATOM 0 HD2 PRO A 86 -12.741 -11.640 -0.309 1.00 0.66 H new ATOM 0 HD3 PRO A 86 -13.239 -12.130 -1.916 1.00 0.66 H new ATOM 1385 N PRO A 87 -13.491 -6.657 -1.754 1.00 0.59 N ATOM 1386 CA PRO A 87 -13.068 -5.398 -1.140 1.00 0.77 C ATOM 1387 C PRO A 87 -13.573 -5.242 0.293 1.00 0.96 C ATOM 1388 O PRO A 87 -12.823 -4.768 1.136 1.00 0.85 O ATOM 1389 CB PRO A 87 -13.574 -4.284 -2.063 1.00 0.87 C ATOM 1390 CG PRO A 87 -14.710 -4.932 -2.853 1.00 0.80 C ATOM 1391 CD PRO A 87 -14.272 -6.390 -2.959 1.00 0.64 C ATOM 0 HA PRO A 87 -11.983 -5.362 -1.044 1.00 0.77 H new ATOM 0 HB2 PRO A 87 -13.926 -3.425 -1.492 1.00 0.87 H new ATOM 0 HB3 PRO A 87 -12.784 -3.926 -2.724 1.00 0.87 H new ATOM 0 HG2 PRO A 87 -15.666 -4.835 -2.338 1.00 0.80 H new ATOM 0 HG3 PRO A 87 -14.830 -4.475 -3.835 1.00 0.80 H new ATOM 0 HD2 PRO A 87 -15.134 -7.054 -3.022 1.00 0.64 H new ATOM 0 HD3 PRO A 87 -13.676 -6.555 -3.856 1.00 0.64 H new ATOM 1399 N GLU A 88 -14.796 -5.693 0.601 1.00 0.52 N ATOM 1400 CA GLU A 88 -15.332 -5.665 1.963 1.00 0.58 C ATOM 1401 C GLU A 88 -14.488 -6.487 2.944 1.00 0.94 C ATOM 1402 O GLU A 88 -14.255 -6.017 4.055 1.00 1.15 O ATOM 1403 CB GLU A 88 -16.774 -6.193 1.958 1.00 0.78 C ATOM 1404 CG GLU A 88 -17.757 -5.298 1.192 1.00 1.49 C ATOM 1405 CD GLU A 88 -18.927 -6.140 0.697 1.00 2.81 C ATOM 1406 OE1 GLU A 88 -18.709 -6.791 -0.351 1.00 4.01 O ATOM 1407 OE2 GLU A 88 -19.964 -6.170 1.392 1.00 3.28 O ATOM 0 H GLU A 88 -15.438 -6.086 -0.087 1.00 0.52 H new ATOM 0 HA GLU A 88 -15.306 -4.629 2.301 1.00 0.58 H new ATOM 0 HB2 GLU A 88 -16.785 -7.190 1.517 1.00 0.78 H new ATOM 0 HB3 GLU A 88 -17.117 -6.296 2.987 1.00 0.78 H new ATOM 0 HG2 GLU A 88 -18.118 -4.498 1.839 1.00 1.49 H new ATOM 0 HG3 GLU A 88 -17.254 -4.824 0.349 1.00 1.49 H new ATOM 1414 N VAL A 89 -14.036 -7.686 2.557 1.00 0.56 N ATOM 1415 CA VAL A 89 -13.269 -8.613 3.414 1.00 0.65 C ATOM 1416 C VAL A 89 -11.835 -8.115 3.611 1.00 0.89 C ATOM 1417 O VAL A 89 -11.348 -8.075 4.743 1.00 0.85 O ATOM 1418 CB VAL A 89 -13.263 -10.051 2.838 1.00 0.72 C ATOM 1419 CG1 VAL A 89 -12.373 -11.014 3.645 1.00 0.95 C ATOM 1420 CG2 VAL A 89 -14.689 -10.627 2.810 1.00 1.06 C ATOM 0 H VAL A 89 -14.194 -8.052 1.618 1.00 0.56 H new ATOM 0 HA VAL A 89 -13.765 -8.642 4.384 1.00 0.65 H new ATOM 0 HB VAL A 89 -12.858 -9.969 1.830 1.00 0.72 H new ATOM 0 HG11 VAL A 89 -12.408 -12.006 3.195 1.00 0.95 H new ATOM 0 HG12 VAL A 89 -11.346 -10.650 3.641 1.00 0.95 H new ATOM 0 HG13 VAL A 89 -12.734 -11.069 4.672 1.00 0.95 H new ATOM 0 HG21 VAL A 89 -14.665 -11.638 2.402 1.00 1.06 H new ATOM 0 HG22 VAL A 89 -15.091 -10.654 3.823 1.00 1.06 H new ATOM 0 HG23 VAL A 89 -15.323 -9.998 2.185 1.00 1.06 H new ATOM 1430 N ALA A 90 -11.180 -7.697 2.520 1.00 0.70 N ATOM 1431 CA ALA A 90 -9.870 -7.050 2.560 1.00 0.82 C ATOM 1432 C ALA A 90 -9.895 -5.795 3.453 1.00 0.93 C ATOM 1433 O ALA A 90 -8.975 -5.564 4.238 1.00 1.06 O ATOM 1434 CB ALA A 90 -9.452 -6.755 1.111 1.00 0.93 C ATOM 0 H ALA A 90 -11.552 -7.802 1.576 1.00 0.70 H new ATOM 0 HA ALA A 90 -9.126 -7.705 3.014 1.00 0.82 H new ATOM 0 HB1 ALA A 90 -8.476 -6.271 1.105 1.00 0.93 H new ATOM 0 HB2 ALA A 90 -9.397 -7.688 0.551 1.00 0.93 H new ATOM 0 HB3 ALA A 90 -10.186 -6.096 0.647 1.00 0.93 H new ATOM 1440 N ASP A 91 -10.995 -5.038 3.415 1.00 0.69 N ATOM 1441 CA ASP A 91 -11.235 -3.912 4.311 1.00 0.72 C ATOM 1442 C ASP A 91 -11.406 -4.347 5.772 1.00 1.15 C ATOM 1443 O ASP A 91 -10.783 -3.726 6.617 1.00 1.16 O ATOM 1444 CB ASP A 91 -12.439 -3.098 3.831 1.00 0.71 C ATOM 1445 CG ASP A 91 -12.549 -1.762 4.563 1.00 0.79 C ATOM 1446 OD1 ASP A 91 -11.893 -0.792 4.129 1.00 1.51 O ATOM 1447 OD2 ASP A 91 -13.283 -1.684 5.584 1.00 1.78 O ATOM 0 H ASP A 91 -11.752 -5.195 2.750 1.00 0.69 H new ATOM 0 HA ASP A 91 -10.348 -3.279 4.281 1.00 0.72 H new ATOM 0 HB2 ASP A 91 -12.353 -2.919 2.759 1.00 0.71 H new ATOM 0 HB3 ASP A 91 -13.352 -3.673 3.986 1.00 0.71 H new ATOM 1452 N ARG A 92 -12.171 -5.400 6.106 1.00 0.81 N ATOM 1453 CA ARG A 92 -12.257 -5.882 7.502 1.00 0.86 C ATOM 1454 C ARG A 92 -10.865 -6.156 8.070 1.00 1.21 C ATOM 1455 O ARG A 92 -10.534 -5.699 9.160 1.00 1.46 O ATOM 1456 CB ARG A 92 -13.080 -7.179 7.633 1.00 0.99 C ATOM 1457 CG ARG A 92 -14.539 -7.194 7.162 1.00 1.19 C ATOM 1458 CD ARG A 92 -15.598 -6.378 7.923 1.00 1.57 C ATOM 1459 NE ARG A 92 -15.214 -4.989 8.247 1.00 2.86 N ATOM 1460 CZ ARG A 92 -14.931 -4.009 7.393 1.00 4.28 C ATOM 1461 NH1 ARG A 92 -15.004 -4.128 6.089 1.00 4.94 N ATOM 1462 NH2 ARG A 92 -14.484 -2.855 7.832 1.00 5.97 N ATOM 0 H ARG A 92 -12.733 -5.930 5.441 1.00 0.81 H new ATOM 0 HA ARG A 92 -12.754 -5.088 8.059 1.00 0.86 H new ATOM 0 HB2 ARG A 92 -12.551 -7.959 7.085 1.00 0.99 H new ATOM 0 HB3 ARG A 92 -13.072 -7.467 8.684 1.00 0.99 H new ATOM 0 HG2 ARG A 92 -14.550 -6.854 6.126 1.00 1.19 H new ATOM 0 HG3 ARG A 92 -14.869 -8.233 7.160 1.00 1.19 H new ATOM 0 HD2 ARG A 92 -16.511 -6.355 7.328 1.00 1.57 H new ATOM 0 HD3 ARG A 92 -15.835 -6.898 8.851 1.00 1.57 H new ATOM 0 HE ARG A 92 -15.160 -4.755 9.238 1.00 2.86 H new ATOM 0 HH11 ARG A 92 -15.292 -5.014 5.673 1.00 4.94 H new ATOM 0 HH12 ARG A 92 -14.772 -3.335 5.491 1.00 4.94 H new ATOM 0 HH21 ARG A 92 -14.352 -2.706 8.832 1.00 5.97 H new ATOM 0 HH22 ARG A 92 -14.269 -2.107 7.173 1.00 5.97 H new ATOM 1476 N TYR A 93 -10.067 -6.887 7.299 1.00 0.86 N ATOM 1477 CA TYR A 93 -8.709 -7.293 7.643 1.00 0.90 C ATOM 1478 C TYR A 93 -7.775 -6.093 7.869 1.00 1.12 C ATOM 1479 O TYR A 93 -7.215 -5.933 8.952 1.00 1.31 O ATOM 1480 CB TYR A 93 -8.209 -8.206 6.515 1.00 0.93 C ATOM 1481 CG TYR A 93 -7.044 -9.083 6.903 1.00 1.17 C ATOM 1482 CD1 TYR A 93 -5.785 -8.521 7.194 1.00 1.85 C ATOM 1483 CD2 TYR A 93 -7.228 -10.476 6.966 1.00 2.65 C ATOM 1484 CE1 TYR A 93 -4.699 -9.359 7.518 1.00 2.09 C ATOM 1485 CE2 TYR A 93 -6.153 -11.313 7.303 1.00 2.76 C ATOM 1486 CZ TYR A 93 -4.881 -10.760 7.559 1.00 1.74 C ATOM 1487 OH TYR A 93 -3.832 -11.579 7.825 1.00 2.18 O ATOM 0 H TYR A 93 -10.360 -7.226 6.382 1.00 0.86 H new ATOM 0 HA TYR A 93 -8.712 -7.828 8.593 1.00 0.90 H new ATOM 0 HB2 TYR A 93 -9.032 -8.839 6.183 1.00 0.93 H new ATOM 0 HB3 TYR A 93 -7.918 -7.589 5.665 1.00 0.93 H new ATOM 0 HD1 TYR A 93 -5.652 -7.449 7.169 1.00 1.85 H new ATOM 0 HD2 TYR A 93 -8.198 -10.902 6.755 1.00 2.65 H new ATOM 0 HE1 TYR A 93 -3.731 -8.932 7.734 1.00 2.09 H new ATOM 0 HE2 TYR A 93 -6.300 -12.381 7.366 1.00 2.76 H new ATOM 0 HH TYR A 93 -4.134 -12.511 7.815 1.00 2.18 H new ATOM 1497 N ALA A 94 -7.628 -5.223 6.867 1.00 0.91 N ATOM 1498 CA ALA A 94 -6.787 -4.027 6.929 1.00 0.97 C ATOM 1499 C ALA A 94 -7.263 -3.068 8.032 1.00 1.00 C ATOM 1500 O ALA A 94 -6.498 -2.685 8.916 1.00 1.09 O ATOM 1501 CB ALA A 94 -6.815 -3.415 5.523 1.00 1.14 C ATOM 0 H ALA A 94 -8.101 -5.334 5.970 1.00 0.91 H new ATOM 0 HA ALA A 94 -5.759 -4.261 7.204 1.00 0.97 H new ATOM 0 HB1 ALA A 94 -6.202 -2.514 5.506 1.00 1.14 H new ATOM 0 HB2 ALA A 94 -6.422 -4.135 4.805 1.00 1.14 H new ATOM 0 HB3 ALA A 94 -7.841 -3.161 5.257 1.00 1.14 H new ATOM 1507 N LYS A 95 -8.562 -2.771 8.066 1.00 0.81 N ATOM 1508 CA LYS A 95 -9.157 -1.868 9.053 1.00 0.82 C ATOM 1509 C LYS A 95 -9.047 -2.384 10.504 1.00 0.98 C ATOM 1510 O LYS A 95 -9.138 -1.571 11.421 1.00 1.14 O ATOM 1511 CB LYS A 95 -10.615 -1.559 8.654 1.00 1.00 C ATOM 1512 CG LYS A 95 -11.146 -0.186 9.092 1.00 1.21 C ATOM 1513 CD LYS A 95 -10.542 0.986 8.296 1.00 1.37 C ATOM 1514 CE LYS A 95 -10.677 0.907 6.771 1.00 1.98 C ATOM 1515 NZ LYS A 95 -12.072 0.788 6.304 1.00 1.42 N ATOM 0 H LYS A 95 -9.237 -3.153 7.404 1.00 0.81 H new ATOM 0 HA LYS A 95 -8.581 -0.943 9.044 1.00 0.82 H new ATOM 0 HB2 LYS A 95 -10.699 -1.632 7.570 1.00 1.00 H new ATOM 0 HB3 LYS A 95 -11.260 -2.330 9.077 1.00 1.00 H new ATOM 0 HG2 LYS A 95 -12.230 -0.171 8.980 1.00 1.21 H new ATOM 0 HG3 LYS A 95 -10.933 -0.044 10.152 1.00 1.21 H new ATOM 0 HD2 LYS A 95 -11.013 1.909 8.635 1.00 1.37 H new ATOM 0 HD3 LYS A 95 -9.483 1.059 8.543 1.00 1.37 H new ATOM 0 HE2 LYS A 95 -10.230 1.797 6.329 1.00 1.98 H new ATOM 0 HE3 LYS A 95 -10.108 0.051 6.409 1.00 1.98 H new ATOM 0 HZ1 LYS A 95 -12.080 0.570 5.287 1.00 1.42 H new ATOM 0 HZ2 LYS A 95 -12.549 0.025 6.825 1.00 1.42 H new ATOM 0 HZ3 LYS A 95 -12.571 1.685 6.470 1.00 1.42 H new ATOM 1529 N ALA A 96 -8.833 -3.690 10.731 1.00 0.70 N ATOM 1530 CA ALA A 96 -8.583 -4.260 12.066 1.00 0.74 C ATOM 1531 C ALA A 96 -7.188 -3.927 12.635 1.00 0.89 C ATOM 1532 O ALA A 96 -7.031 -3.807 13.849 1.00 1.11 O ATOM 1533 CB ALA A 96 -8.822 -5.774 12.017 1.00 0.86 C ATOM 0 H ALA A 96 -8.829 -4.387 9.986 1.00 0.70 H new ATOM 0 HA ALA A 96 -9.285 -3.793 12.757 1.00 0.74 H new ATOM 0 HB1 ALA A 96 -8.639 -6.203 13.002 1.00 0.86 H new ATOM 0 HB2 ALA A 96 -9.853 -5.970 11.722 1.00 0.86 H new ATOM 0 HB3 ALA A 96 -8.145 -6.226 11.293 1.00 0.86 H new ATOM 1539 N PHE A 97 -6.190 -3.721 11.769 1.00 0.79 N ATOM 1540 CA PHE A 97 -4.879 -3.214 12.171 1.00 0.87 C ATOM 1541 C PHE A 97 -4.897 -1.705 12.406 1.00 1.80 C ATOM 1542 O PHE A 97 -4.277 -1.221 13.360 1.00 2.15 O ATOM 1543 CB PHE A 97 -3.831 -3.578 11.114 1.00 1.07 C ATOM 1544 CG PHE A 97 -3.362 -4.999 11.269 1.00 1.23 C ATOM 1545 CD1 PHE A 97 -2.265 -5.263 12.102 1.00 1.77 C ATOM 1546 CD2 PHE A 97 -4.065 -6.052 10.659 1.00 2.30 C ATOM 1547 CE1 PHE A 97 -1.887 -6.591 12.352 1.00 1.86 C ATOM 1548 CE2 PHE A 97 -3.687 -7.380 10.909 1.00 2.25 C ATOM 1549 CZ PHE A 97 -2.604 -7.650 11.767 1.00 1.49 C ATOM 0 H PHE A 97 -6.271 -3.902 10.769 1.00 0.79 H new ATOM 0 HA PHE A 97 -4.617 -3.685 13.118 1.00 0.87 H new ATOM 0 HB2 PHE A 97 -4.253 -3.440 10.119 1.00 1.07 H new ATOM 0 HB3 PHE A 97 -2.980 -2.902 11.196 1.00 1.07 H new ATOM 0 HD1 PHE A 97 -1.714 -4.449 12.549 1.00 1.77 H new ATOM 0 HD2 PHE A 97 -4.894 -5.840 10.000 1.00 2.30 H new ATOM 0 HE1 PHE A 97 -1.044 -6.800 12.994 1.00 1.86 H new ATOM 0 HE2 PHE A 97 -4.225 -8.193 10.444 1.00 2.25 H new ATOM 0 HZ PHE A 97 -2.323 -8.672 11.976 1.00 1.49 H new ATOM 1559 N HIS A 98 -5.582 -0.948 11.548 1.00 1.04 N ATOM 1560 CA HIS A 98 -5.630 0.507 11.654 1.00 1.22 C ATOM 1561 C HIS A 98 -6.791 1.110 10.835 1.00 1.47 C ATOM 1562 O HIS A 98 -7.005 0.666 9.705 1.00 1.60 O ATOM 1563 CB HIS A 98 -4.270 1.072 11.197 1.00 1.49 C ATOM 1564 CG HIS A 98 -3.870 2.316 11.943 1.00 1.58 C ATOM 1565 ND1 HIS A 98 -3.779 3.597 11.445 1.00 2.04 N ATOM 1566 CD2 HIS A 98 -3.595 2.388 13.280 1.00 2.17 C ATOM 1567 CE1 HIS A 98 -3.478 4.416 12.466 1.00 2.71 C ATOM 1568 NE2 HIS A 98 -3.343 3.719 13.597 1.00 2.82 N ATOM 0 H HIS A 98 -6.116 -1.325 10.765 1.00 1.04 H new ATOM 0 HA HIS A 98 -5.818 0.783 12.692 1.00 1.22 H new ATOM 0 HB2 HIS A 98 -3.502 0.311 11.333 1.00 1.49 H new ATOM 0 HB3 HIS A 98 -4.314 1.293 10.131 1.00 1.49 H new ATOM 0 HD1 HIS A 98 -3.916 3.874 10.473 1.00 2.04 H new ATOM 0 HD2 HIS A 98 -3.577 1.557 13.970 1.00 2.17 H new ATOM 0 HE1 HIS A 98 -3.362 5.487 12.384 1.00 2.71 H new ATOM 1577 N PRO A 99 -7.486 2.159 11.332 1.00 1.32 N ATOM 1578 CA PRO A 99 -8.595 2.800 10.620 1.00 1.50 C ATOM 1579 C PRO A 99 -8.179 3.485 9.304 1.00 1.88 C ATOM 1580 O PRO A 99 -9.036 3.880 8.516 1.00 1.77 O ATOM 1581 CB PRO A 99 -9.200 3.800 11.613 1.00 1.79 C ATOM 1582 CG PRO A 99 -8.040 4.127 12.549 1.00 1.89 C ATOM 1583 CD PRO A 99 -7.301 2.795 12.629 1.00 1.55 C ATOM 0 HA PRO A 99 -9.317 2.048 10.301 1.00 1.50 H new ATOM 0 HB2 PRO A 99 -9.570 4.692 11.108 1.00 1.79 H new ATOM 0 HB3 PRO A 99 -10.042 3.368 12.154 1.00 1.79 H new ATOM 0 HG2 PRO A 99 -7.407 4.920 12.150 1.00 1.89 H new ATOM 0 HG3 PRO A 99 -8.388 4.458 13.527 1.00 1.89 H new ATOM 0 HD2 PRO A 99 -6.243 2.947 12.842 1.00 1.55 H new ATOM 0 HD3 PRO A 99 -7.701 2.173 13.430 1.00 1.55 H new ATOM 1591 N SER A 100 -6.877 3.630 9.050 1.00 1.91 N ATOM 1592 CA SER A 100 -6.313 4.325 7.890 1.00 2.15 C ATOM 1593 C SER A 100 -5.942 3.412 6.713 1.00 2.25 C ATOM 1594 O SER A 100 -5.506 3.941 5.688 1.00 2.42 O ATOM 1595 CB SER A 100 -5.049 5.069 8.329 1.00 2.44 C ATOM 1596 OG SER A 100 -4.030 4.139 8.672 1.00 4.09 O ATOM 0 H SER A 100 -6.159 3.253 9.669 1.00 1.91 H new ATOM 0 HA SER A 100 -7.096 4.994 7.532 1.00 2.15 H new ATOM 0 HB2 SER A 100 -4.703 5.720 7.526 1.00 2.44 H new ATOM 0 HB3 SER A 100 -5.272 5.708 9.183 1.00 2.44 H new ATOM 0 HG SER A 100 -3.192 4.619 8.838 1.00 4.09 H new ATOM 1602 N PHE A 101 -6.087 2.080 6.845 1.00 1.97 N ATOM 1603 CA PHE A 101 -5.855 1.137 5.748 1.00 1.95 C ATOM 1604 C PHE A 101 -7.198 0.815 5.076 1.00 2.31 C ATOM 1605 O PHE A 101 -8.055 0.139 5.647 1.00 3.01 O ATOM 1606 CB PHE A 101 -5.233 -0.188 6.219 1.00 1.96 C ATOM 1607 CG PHE A 101 -3.924 -0.177 6.981 1.00 1.90 C ATOM 1608 CD1 PHE A 101 -2.746 0.268 6.366 1.00 2.49 C ATOM 1609 CD2 PHE A 101 -3.843 -0.770 8.251 1.00 2.76 C ATOM 1610 CE1 PHE A 101 -1.518 0.242 7.052 1.00 2.40 C ATOM 1611 CE2 PHE A 101 -2.615 -0.831 8.928 1.00 2.99 C ATOM 1612 CZ PHE A 101 -1.456 -0.298 8.347 1.00 2.26 C ATOM 0 H PHE A 101 -6.368 1.633 7.717 1.00 1.97 H new ATOM 0 HA PHE A 101 -5.156 1.613 5.061 1.00 1.95 H new ATOM 0 HB2 PHE A 101 -5.970 -0.688 6.847 1.00 1.96 H new ATOM 0 HB3 PHE A 101 -5.090 -0.812 5.337 1.00 1.96 H new ATOM 0 HD1 PHE A 101 -2.781 0.636 5.351 1.00 2.49 H new ATOM 0 HD2 PHE A 101 -4.730 -1.181 8.709 1.00 2.76 H new ATOM 0 HE1 PHE A 101 -0.627 0.635 6.585 1.00 2.40 H new ATOM 0 HE2 PHE A 101 -2.563 -1.292 9.903 1.00 2.99 H new ATOM 0 HZ PHE A 101 -0.523 -0.303 8.891 1.00 2.26 H new ATOM 1622 N LEU A 102 -7.367 1.292 3.846 1.00 1.19 N ATOM 1623 CA LEU A 102 -8.559 1.059 3.028 1.00 0.94 C ATOM 1624 C LEU A 102 -8.284 -0.118 2.095 1.00 1.17 C ATOM 1625 O LEU A 102 -7.234 -0.154 1.454 1.00 1.46 O ATOM 1626 CB LEU A 102 -8.856 2.354 2.249 1.00 0.83 C ATOM 1627 CG LEU A 102 -9.972 2.272 1.189 1.00 1.27 C ATOM 1628 CD1 LEU A 102 -11.316 1.794 1.761 1.00 1.11 C ATOM 1629 CD2 LEU A 102 -10.171 3.658 0.557 1.00 2.08 C ATOM 0 H LEU A 102 -6.665 1.864 3.377 1.00 1.19 H new ATOM 0 HA LEU A 102 -9.430 0.810 3.635 1.00 0.94 H new ATOM 0 HB2 LEU A 102 -9.121 3.131 2.966 1.00 0.83 H new ATOM 0 HB3 LEU A 102 -7.938 2.675 1.756 1.00 0.83 H new ATOM 0 HG LEU A 102 -9.653 1.537 0.450 1.00 1.27 H new ATOM 0 HD11 LEU A 102 -12.059 1.758 0.964 1.00 1.11 H new ATOM 0 HD12 LEU A 102 -11.196 0.799 2.190 1.00 1.11 H new ATOM 0 HD13 LEU A 102 -11.648 2.485 2.536 1.00 1.11 H new ATOM 0 HD21 LEU A 102 -10.959 3.606 -0.194 1.00 2.08 H new ATOM 0 HD22 LEU A 102 -10.453 4.373 1.330 1.00 2.08 H new ATOM 0 HD23 LEU A 102 -9.242 3.980 0.086 1.00 2.08 H new ATOM 1641 N GLY A 103 -9.231 -1.056 2.020 1.00 0.81 N ATOM 1642 CA GLY A 103 -9.097 -2.298 1.258 1.00 0.78 C ATOM 1643 C GLY A 103 -9.742 -2.144 -0.111 1.00 0.88 C ATOM 1644 O GLY A 103 -10.961 -2.002 -0.212 1.00 1.09 O ATOM 0 H GLY A 103 -10.129 -0.971 2.496 1.00 0.81 H new ATOM 0 HA2 GLY A 103 -8.043 -2.553 1.145 1.00 0.78 H new ATOM 0 HA3 GLY A 103 -9.567 -3.119 1.800 1.00 0.78 H new ATOM 1648 N LEU A 104 -8.913 -2.159 -1.156 1.00 0.65 N ATOM 1649 CA LEU A 104 -9.335 -2.012 -2.548 1.00 0.72 C ATOM 1650 C LEU A 104 -9.138 -3.330 -3.304 1.00 1.20 C ATOM 1651 O LEU A 104 -8.054 -3.912 -3.341 1.00 1.44 O ATOM 1652 CB LEU A 104 -8.593 -0.842 -3.218 1.00 0.74 C ATOM 1653 CG LEU A 104 -8.736 0.533 -2.530 1.00 0.73 C ATOM 1654 CD1 LEU A 104 -8.034 1.618 -3.365 1.00 0.91 C ATOM 1655 CD2 LEU A 104 -10.199 0.962 -2.328 1.00 1.09 C ATOM 0 H LEU A 104 -7.905 -2.277 -1.054 1.00 0.65 H new ATOM 0 HA LEU A 104 -10.399 -1.775 -2.576 1.00 0.72 H new ATOM 0 HB2 LEU A 104 -7.533 -1.092 -3.270 1.00 0.74 H new ATOM 0 HB3 LEU A 104 -8.950 -0.752 -4.244 1.00 0.74 H new ATOM 0 HG LEU A 104 -8.275 0.426 -1.548 1.00 0.73 H new ATOM 0 HD11 LEU A 104 -8.141 2.584 -2.871 1.00 0.91 H new ATOM 0 HD12 LEU A 104 -6.976 1.375 -3.461 1.00 0.91 H new ATOM 0 HD13 LEU A 104 -8.487 1.665 -4.355 1.00 0.91 H new ATOM 0 HD21 LEU A 104 -10.228 1.936 -1.840 1.00 1.09 H new ATOM 0 HD22 LEU A 104 -10.696 1.026 -3.296 1.00 1.09 H new ATOM 0 HD23 LEU A 104 -10.711 0.228 -1.705 1.00 1.09 H new ATOM 1667 N SER A 105 -10.231 -3.827 -3.866 1.00 0.71 N ATOM 1668 CA SER A 105 -10.294 -5.001 -4.731 1.00 0.66 C ATOM 1669 C SER A 105 -11.417 -4.779 -5.745 1.00 0.89 C ATOM 1670 O SER A 105 -12.388 -4.087 -5.424 1.00 1.17 O ATOM 1671 CB SER A 105 -10.576 -6.230 -3.876 1.00 0.61 C ATOM 1672 OG SER A 105 -10.418 -7.443 -4.589 1.00 0.93 O ATOM 0 H SER A 105 -11.147 -3.401 -3.724 1.00 0.71 H new ATOM 0 HA SER A 105 -9.352 -5.154 -5.258 1.00 0.66 H new ATOM 0 HB2 SER A 105 -9.907 -6.230 -3.016 1.00 0.61 H new ATOM 0 HB3 SER A 105 -11.593 -6.172 -3.488 1.00 0.61 H new ATOM 0 HG SER A 105 -10.431 -8.195 -3.961 1.00 0.93 H new ATOM 1678 N GLY A 106 -11.338 -5.358 -6.943 1.00 0.80 N ATOM 1679 CA GLY A 106 -12.321 -5.025 -7.970 1.00 0.86 C ATOM 1680 C GLY A 106 -12.154 -5.725 -9.300 1.00 0.96 C ATOM 1681 O GLY A 106 -11.867 -6.915 -9.396 1.00 1.09 O ATOM 0 H GLY A 106 -10.629 -6.037 -7.220 1.00 0.80 H new ATOM 0 HA2 GLY A 106 -13.314 -5.255 -7.583 1.00 0.86 H new ATOM 0 HA3 GLY A 106 -12.288 -3.949 -8.142 1.00 0.86 H new ATOM 1685 N SER A 107 -12.417 -4.959 -10.344 1.00 0.91 N ATOM 1686 CA SER A 107 -12.279 -5.398 -11.723 1.00 1.00 C ATOM 1687 C SER A 107 -10.805 -5.697 -12.071 1.00 1.08 C ATOM 1688 O SER A 107 -9.892 -5.005 -11.594 1.00 1.08 O ATOM 1689 CB SER A 107 -12.883 -4.343 -12.662 1.00 1.19 C ATOM 1690 OG SER A 107 -12.254 -3.086 -12.509 1.00 2.24 O ATOM 0 H SER A 107 -12.739 -3.995 -10.256 1.00 0.91 H new ATOM 0 HA SER A 107 -12.827 -6.331 -11.854 1.00 1.00 H new ATOM 0 HB2 SER A 107 -12.784 -4.676 -13.695 1.00 1.19 H new ATOM 0 HB3 SER A 107 -13.949 -4.243 -12.460 1.00 1.19 H new ATOM 0 HG SER A 107 -12.441 -2.733 -11.614 1.00 2.24 H new ATOM 1696 N PRO A 108 -10.537 -6.692 -12.941 1.00 1.16 N ATOM 1697 CA PRO A 108 -9.174 -7.036 -13.328 1.00 1.34 C ATOM 1698 C PRO A 108 -8.483 -5.879 -14.053 1.00 1.53 C ATOM 1699 O PRO A 108 -7.267 -5.766 -13.966 1.00 1.41 O ATOM 1700 CB PRO A 108 -9.295 -8.284 -14.210 1.00 1.71 C ATOM 1701 CG PRO A 108 -10.709 -8.184 -14.781 1.00 1.74 C ATOM 1702 CD PRO A 108 -11.495 -7.538 -13.641 1.00 1.44 C ATOM 0 HA PRO A 108 -8.549 -7.234 -12.457 1.00 1.34 H new ATOM 0 HB2 PRO A 108 -8.543 -8.292 -14.999 1.00 1.71 H new ATOM 0 HB3 PRO A 108 -9.160 -9.198 -13.632 1.00 1.71 H new ATOM 0 HG2 PRO A 108 -10.737 -7.576 -15.686 1.00 1.74 H new ATOM 0 HG3 PRO A 108 -11.109 -9.164 -15.043 1.00 1.74 H new ATOM 0 HD2 PRO A 108 -12.331 -6.952 -14.023 1.00 1.44 H new ATOM 0 HD3 PRO A 108 -11.913 -8.293 -12.975 1.00 1.44 H new ATOM 1710 N GLU A 109 -9.233 -4.992 -14.718 1.00 1.24 N ATOM 1711 CA GLU A 109 -8.691 -3.748 -15.277 1.00 1.31 C ATOM 1712 C GLU A 109 -8.278 -2.752 -14.180 1.00 1.38 C ATOM 1713 O GLU A 109 -7.139 -2.296 -14.181 1.00 1.60 O ATOM 1714 CB GLU A 109 -9.676 -3.116 -16.267 1.00 1.56 C ATOM 1715 CG GLU A 109 -9.971 -4.075 -17.433 1.00 1.84 C ATOM 1716 CD GLU A 109 -10.044 -3.334 -18.760 1.00 3.89 C ATOM 1717 OE1 GLU A 109 -8.961 -2.887 -19.209 1.00 5.48 O ATOM 1718 OE2 GLU A 109 -11.149 -3.274 -19.334 1.00 4.55 O ATOM 0 H GLU A 109 -10.232 -5.116 -14.884 1.00 1.24 H new ATOM 0 HA GLU A 109 -7.784 -4.007 -15.824 1.00 1.31 H new ATOM 0 HB2 GLU A 109 -10.604 -2.865 -15.753 1.00 1.56 H new ATOM 0 HB3 GLU A 109 -9.263 -2.184 -16.653 1.00 1.56 H new ATOM 0 HG2 GLU A 109 -9.194 -4.838 -17.483 1.00 1.84 H new ATOM 0 HG3 GLU A 109 -10.914 -4.591 -17.251 1.00 1.84 H new ATOM 1725 N ALA A 110 -9.129 -2.474 -13.187 1.00 1.00 N ATOM 1726 CA ALA A 110 -8.736 -1.650 -12.040 1.00 0.94 C ATOM 1727 C ALA A 110 -7.494 -2.219 -11.328 1.00 1.00 C ATOM 1728 O ALA A 110 -6.486 -1.526 -11.154 1.00 1.10 O ATOM 1729 CB ALA A 110 -9.940 -1.554 -11.100 1.00 0.99 C ATOM 0 H ALA A 110 -10.093 -2.807 -13.155 1.00 1.00 H new ATOM 0 HA ALA A 110 -8.451 -0.653 -12.377 1.00 0.94 H new ATOM 0 HB1 ALA A 110 -9.678 -0.945 -10.234 1.00 0.99 H new ATOM 0 HB2 ALA A 110 -10.777 -1.095 -11.626 1.00 0.99 H new ATOM 0 HB3 ALA A 110 -10.224 -2.553 -10.769 1.00 0.99 H new ATOM 1735 N VAL A 111 -7.542 -3.504 -10.971 1.00 0.71 N ATOM 1736 CA VAL A 111 -6.460 -4.174 -10.225 1.00 0.66 C ATOM 1737 C VAL A 111 -5.167 -4.256 -11.062 1.00 1.07 C ATOM 1738 O VAL A 111 -4.080 -4.064 -10.514 1.00 0.98 O ATOM 1739 CB VAL A 111 -6.908 -5.560 -9.692 1.00 0.61 C ATOM 1740 CG1 VAL A 111 -5.786 -6.295 -8.936 1.00 1.08 C ATOM 1741 CG2 VAL A 111 -8.103 -5.434 -8.726 1.00 1.01 C ATOM 0 H VAL A 111 -8.330 -4.115 -11.188 1.00 0.71 H new ATOM 0 HA VAL A 111 -6.232 -3.563 -9.351 1.00 0.66 H new ATOM 0 HB VAL A 111 -7.186 -6.130 -10.578 1.00 0.61 H new ATOM 0 HG11 VAL A 111 -6.155 -7.259 -8.585 1.00 1.08 H new ATOM 0 HG12 VAL A 111 -4.939 -6.452 -9.604 1.00 1.08 H new ATOM 0 HG13 VAL A 111 -5.469 -5.695 -8.083 1.00 1.08 H new ATOM 0 HG21 VAL A 111 -8.391 -6.424 -8.372 1.00 1.01 H new ATOM 0 HG22 VAL A 111 -7.820 -4.813 -7.876 1.00 1.01 H new ATOM 0 HG23 VAL A 111 -8.944 -4.976 -9.246 1.00 1.01 H new ATOM 1751 N ARG A 112 -5.251 -4.466 -12.393 1.00 0.73 N ATOM 1752 CA ARG A 112 -4.058 -4.445 -13.262 1.00 0.81 C ATOM 1753 C ARG A 112 -3.474 -3.050 -13.421 1.00 1.18 C ATOM 1754 O ARG A 112 -2.255 -2.941 -13.378 1.00 1.32 O ATOM 1755 CB ARG A 112 -4.253 -5.144 -14.623 1.00 0.95 C ATOM 1756 CG ARG A 112 -4.981 -4.383 -15.739 1.00 1.82 C ATOM 1757 CD ARG A 112 -4.064 -3.680 -16.749 1.00 2.97 C ATOM 1758 NE ARG A 112 -4.779 -2.648 -17.524 1.00 4.52 N ATOM 1759 CZ ARG A 112 -5.904 -2.737 -18.222 1.00 5.65 C ATOM 1760 NH1 ARG A 112 -6.501 -3.867 -18.526 1.00 5.65 N ATOM 1761 NH2 ARG A 112 -6.485 -1.636 -18.619 1.00 7.26 N ATOM 0 H ARG A 112 -6.125 -4.650 -12.885 1.00 0.73 H new ATOM 0 HA ARG A 112 -3.322 -5.047 -12.729 1.00 0.81 H new ATOM 0 HB2 ARG A 112 -3.268 -5.420 -14.998 1.00 0.95 H new ATOM 0 HB3 ARG A 112 -4.797 -6.071 -14.444 1.00 0.95 H new ATOM 0 HG2 ARG A 112 -5.621 -5.082 -16.277 1.00 1.82 H new ATOM 0 HG3 ARG A 112 -5.634 -3.638 -15.284 1.00 1.82 H new ATOM 0 HD2 ARG A 112 -3.228 -3.222 -16.221 1.00 2.97 H new ATOM 0 HD3 ARG A 112 -3.644 -4.419 -17.431 1.00 2.97 H new ATOM 0 HE ARG A 112 -4.342 -1.726 -17.523 1.00 4.52 H new ATOM 0 HH11 ARG A 112 -6.100 -4.754 -18.221 1.00 5.65 H new ATOM 0 HH12 ARG A 112 -7.366 -3.858 -19.067 1.00 5.65 H new ATOM 0 HH21 ARG A 112 -6.073 -0.731 -18.391 1.00 7.26 H new ATOM 0 HH22 ARG A 112 -7.351 -1.681 -19.157 1.00 7.26 H new ATOM 1775 N GLU A 113 -4.293 -2.013 -13.564 1.00 0.92 N ATOM 1776 CA GLU A 113 -3.806 -0.632 -13.644 1.00 1.05 C ATOM 1777 C GLU A 113 -2.962 -0.241 -12.427 1.00 1.41 C ATOM 1778 O GLU A 113 -1.778 0.059 -12.564 1.00 1.56 O ATOM 1779 CB GLU A 113 -4.938 0.378 -13.837 1.00 1.17 C ATOM 1780 CG GLU A 113 -5.440 0.403 -15.280 1.00 1.39 C ATOM 1781 CD GLU A 113 -4.362 0.653 -16.341 1.00 2.18 C ATOM 1782 OE1 GLU A 113 -3.301 1.241 -16.023 1.00 3.32 O ATOM 1783 OE2 GLU A 113 -4.568 0.133 -17.462 1.00 2.75 O ATOM 0 H GLU A 113 -5.307 -2.100 -13.628 1.00 0.92 H new ATOM 0 HA GLU A 113 -3.169 -0.600 -14.528 1.00 1.05 H new ATOM 0 HB2 GLU A 113 -5.763 0.130 -13.170 1.00 1.17 H new ATOM 0 HB3 GLU A 113 -4.589 1.372 -13.557 1.00 1.17 H new ATOM 0 HG2 GLU A 113 -5.926 -0.549 -15.496 1.00 1.39 H new ATOM 0 HG3 GLU A 113 -6.202 1.177 -15.370 1.00 1.39 H new ATOM 1790 N ALA A 114 -3.548 -0.295 -11.226 1.00 0.87 N ATOM 1791 CA ALA A 114 -2.872 0.139 -10.000 1.00 0.84 C ATOM 1792 C ALA A 114 -1.581 -0.646 -9.731 1.00 1.15 C ATOM 1793 O ALA A 114 -0.602 -0.076 -9.255 1.00 1.36 O ATOM 1794 CB ALA A 114 -3.863 0.017 -8.845 1.00 0.77 C ATOM 0 H ALA A 114 -4.497 -0.638 -11.077 1.00 0.87 H new ATOM 0 HA ALA A 114 -2.557 1.177 -10.111 1.00 0.84 H new ATOM 0 HB1 ALA A 114 -3.384 0.335 -7.919 1.00 0.77 H new ATOM 0 HB2 ALA A 114 -4.729 0.649 -9.040 1.00 0.77 H new ATOM 0 HB3 ALA A 114 -4.185 -1.020 -8.750 1.00 0.77 H new ATOM 1800 N ALA A 115 -1.559 -1.926 -10.109 1.00 0.85 N ATOM 1801 CA ALA A 115 -0.360 -2.741 -10.101 1.00 0.85 C ATOM 1802 C ALA A 115 0.662 -2.279 -11.145 1.00 1.06 C ATOM 1803 O ALA A 115 1.758 -1.867 -10.769 1.00 1.15 O ATOM 1804 CB ALA A 115 -0.783 -4.199 -10.313 1.00 0.84 C ATOM 0 H ALA A 115 -2.388 -2.424 -10.432 1.00 0.85 H new ATOM 0 HA ALA A 115 0.147 -2.639 -9.141 1.00 0.85 H new ATOM 0 HB1 ALA A 115 0.100 -4.838 -10.312 1.00 0.84 H new ATOM 0 HB2 ALA A 115 -1.453 -4.504 -9.509 1.00 0.84 H new ATOM 0 HB3 ALA A 115 -1.298 -4.293 -11.269 1.00 0.84 H new ATOM 1810 N GLN A 116 0.329 -2.328 -12.438 1.00 0.96 N ATOM 1811 CA GLN A 116 1.287 -2.163 -13.542 1.00 1.16 C ATOM 1812 C GLN A 116 1.916 -0.771 -13.559 1.00 1.43 C ATOM 1813 O GLN A 116 3.123 -0.626 -13.769 1.00 1.59 O ATOM 1814 CB GLN A 116 0.632 -2.519 -14.888 1.00 1.42 C ATOM 1815 CG GLN A 116 -0.290 -1.428 -15.449 1.00 1.76 C ATOM 1816 CD GLN A 116 -1.024 -1.799 -16.729 1.00 2.39 C ATOM 1817 OE1 GLN A 116 -0.984 -2.920 -17.218 1.00 2.50 O ATOM 1818 NE2 GLN A 116 -1.768 -0.875 -17.291 1.00 3.67 N ATOM 0 H GLN A 116 -0.628 -2.486 -12.755 1.00 0.96 H new ATOM 0 HA GLN A 116 2.106 -2.862 -13.375 1.00 1.16 H new ATOM 0 HB2 GLN A 116 1.416 -2.726 -15.617 1.00 1.42 H new ATOM 0 HB3 GLN A 116 0.058 -3.437 -14.768 1.00 1.42 H new ATOM 0 HG2 GLN A 116 -1.026 -1.170 -14.688 1.00 1.76 H new ATOM 0 HG3 GLN A 116 0.303 -0.533 -15.635 1.00 1.76 H new ATOM 0 HE21 GLN A 116 -1.807 0.062 -16.890 1.00 3.67 H new ATOM 0 HE22 GLN A 116 -2.307 -1.094 -18.129 1.00 3.67 H new ATOM 1827 N THR A 117 1.082 0.241 -13.311 1.00 0.92 N ATOM 1828 CA THR A 117 1.453 1.656 -13.422 1.00 0.96 C ATOM 1829 C THR A 117 2.392 2.058 -12.289 1.00 1.06 C ATOM 1830 O THR A 117 3.313 2.853 -12.490 1.00 0.99 O ATOM 1831 CB THR A 117 0.170 2.488 -13.560 1.00 1.27 C ATOM 1832 OG1 THR A 117 -0.382 2.093 -14.801 1.00 1.88 O ATOM 1833 CG2 THR A 117 0.419 3.995 -13.604 1.00 1.56 C ATOM 0 H THR A 117 0.114 0.100 -13.023 1.00 0.92 H new ATOM 0 HA THR A 117 2.037 1.852 -14.321 1.00 0.96 H new ATOM 0 HB THR A 117 -0.473 2.314 -12.697 1.00 1.27 H new ATOM 0 HG1 THR A 117 -1.214 2.586 -14.961 1.00 1.88 H new ATOM 0 HG21 THR A 117 -0.532 4.518 -13.702 1.00 1.56 H new ATOM 0 HG22 THR A 117 0.913 4.309 -12.684 1.00 1.56 H new ATOM 0 HG23 THR A 117 1.054 4.234 -14.457 1.00 1.56 H new ATOM 1841 N PHE A 118 2.243 1.435 -11.116 1.00 0.67 N ATOM 1842 CA PHE A 118 3.236 1.455 -10.040 1.00 0.73 C ATOM 1843 C PHE A 118 4.467 0.591 -10.375 1.00 1.75 C ATOM 1844 O PHE A 118 5.591 1.076 -10.241 1.00 2.15 O ATOM 1845 CB PHE A 118 2.563 1.027 -8.727 1.00 0.72 C ATOM 1846 CG PHE A 118 1.803 2.136 -8.013 1.00 0.85 C ATOM 1847 CD1 PHE A 118 0.927 3.004 -8.699 1.00 1.92 C ATOM 1848 CD2 PHE A 118 2.010 2.330 -6.635 1.00 2.04 C ATOM 1849 CE1 PHE A 118 0.309 4.069 -8.023 1.00 1.91 C ATOM 1850 CE2 PHE A 118 1.393 3.393 -5.956 1.00 1.98 C ATOM 1851 CZ PHE A 118 0.540 4.262 -6.652 1.00 1.07 C ATOM 0 H PHE A 118 1.411 0.892 -10.884 1.00 0.67 H new ATOM 0 HA PHE A 118 3.614 2.471 -9.924 1.00 0.73 H new ATOM 0 HB2 PHE A 118 1.874 0.209 -8.937 1.00 0.72 H new ATOM 0 HB3 PHE A 118 3.326 0.636 -8.054 1.00 0.72 H new ATOM 0 HD1 PHE A 118 0.731 2.849 -9.750 1.00 1.92 H new ATOM 0 HD2 PHE A 118 2.652 1.652 -6.092 1.00 2.04 H new ATOM 0 HE1 PHE A 118 -0.345 4.741 -8.559 1.00 1.91 H new ATOM 0 HE2 PHE A 118 1.575 3.541 -4.902 1.00 1.98 H new ATOM 0 HZ PHE A 118 0.061 5.079 -6.133 1.00 1.07 H new ATOM 1861 N GLY A 119 4.264 -0.636 -10.871 1.00 0.88 N ATOM 1862 CA GLY A 119 5.279 -1.630 -11.280 1.00 0.91 C ATOM 1863 C GLY A 119 5.109 -3.034 -10.692 1.00 0.90 C ATOM 1864 O GLY A 119 6.058 -3.810 -10.709 1.00 0.95 O ATOM 0 H GLY A 119 3.318 -0.992 -11.009 1.00 0.88 H new ATOM 0 HA2 GLY A 119 5.267 -1.708 -12.367 1.00 0.91 H new ATOM 0 HA3 GLY A 119 6.263 -1.255 -10.998 1.00 0.91 H new ATOM 1868 N VAL A 120 3.934 -3.353 -10.158 1.00 0.70 N ATOM 1869 CA VAL A 120 3.536 -4.670 -9.641 1.00 0.58 C ATOM 1870 C VAL A 120 2.895 -5.516 -10.745 1.00 0.73 C ATOM 1871 O VAL A 120 2.346 -5.007 -11.723 1.00 1.00 O ATOM 1872 CB VAL A 120 2.598 -4.523 -8.413 1.00 0.77 C ATOM 1873 CG1 VAL A 120 1.909 -5.806 -7.909 1.00 0.93 C ATOM 1874 CG2 VAL A 120 3.406 -3.898 -7.274 1.00 1.42 C ATOM 0 H VAL A 120 3.187 -2.664 -10.067 1.00 0.70 H new ATOM 0 HA VAL A 120 4.432 -5.192 -9.306 1.00 0.58 H new ATOM 0 HB VAL A 120 1.772 -3.898 -8.751 1.00 0.77 H new ATOM 0 HG11 VAL A 120 1.283 -5.569 -7.049 1.00 0.93 H new ATOM 0 HG12 VAL A 120 1.291 -6.223 -8.704 1.00 0.93 H new ATOM 0 HG13 VAL A 120 2.665 -6.534 -7.617 1.00 0.93 H new ATOM 0 HG21 VAL A 120 2.769 -3.783 -6.397 1.00 1.42 H new ATOM 0 HG22 VAL A 120 4.249 -4.544 -7.029 1.00 1.42 H new ATOM 0 HG23 VAL A 120 3.776 -2.921 -7.584 1.00 1.42 H new ATOM 1884 N PHE A 121 2.966 -6.827 -10.540 1.00 0.74 N ATOM 1885 CA PHE A 121 2.485 -7.890 -11.406 1.00 0.88 C ATOM 1886 C PHE A 121 1.950 -9.049 -10.544 1.00 1.82 C ATOM 1887 O PHE A 121 2.428 -9.290 -9.433 1.00 1.84 O ATOM 1888 CB PHE A 121 3.644 -8.303 -12.331 1.00 0.97 C ATOM 1889 CG PHE A 121 4.983 -8.497 -11.629 1.00 0.96 C ATOM 1890 CD1 PHE A 121 5.310 -9.759 -11.093 1.00 2.22 C ATOM 1891 CD2 PHE A 121 5.882 -7.415 -11.470 1.00 2.15 C ATOM 1892 CE1 PHE A 121 6.524 -9.945 -10.410 1.00 2.23 C ATOM 1893 CE2 PHE A 121 7.098 -7.609 -10.792 1.00 1.97 C ATOM 1894 CZ PHE A 121 7.423 -8.872 -10.265 1.00 1.10 C ATOM 0 H PHE A 121 3.397 -7.200 -9.694 1.00 0.74 H new ATOM 0 HA PHE A 121 1.654 -7.564 -12.032 1.00 0.88 H new ATOM 0 HB2 PHE A 121 3.375 -9.232 -12.834 1.00 0.97 H new ATOM 0 HB3 PHE A 121 3.762 -7.544 -13.104 1.00 0.97 H new ATOM 0 HD1 PHE A 121 4.625 -10.586 -11.208 1.00 2.22 H new ATOM 0 HD2 PHE A 121 5.634 -6.442 -11.869 1.00 2.15 H new ATOM 0 HE1 PHE A 121 6.767 -10.912 -9.996 1.00 2.23 H new ATOM 0 HE2 PHE A 121 7.786 -6.785 -10.675 1.00 1.97 H new ATOM 0 HZ PHE A 121 8.361 -9.018 -9.750 1.00 1.10 H new ATOM 1904 N TYR A 122 0.930 -9.741 -11.054 1.00 0.95 N ATOM 1905 CA TYR A 122 0.267 -10.878 -10.405 1.00 1.03 C ATOM 1906 C TYR A 122 -0.076 -11.973 -11.429 1.00 1.29 C ATOM 1907 O TYR A 122 -0.615 -11.692 -12.503 1.00 1.49 O ATOM 1908 CB TYR A 122 -0.971 -10.393 -9.631 1.00 1.10 C ATOM 1909 CG TYR A 122 -2.052 -9.675 -10.431 1.00 1.20 C ATOM 1910 CD1 TYR A 122 -3.123 -10.403 -10.987 1.00 2.35 C ATOM 1911 CD2 TYR A 122 -2.028 -8.271 -10.563 1.00 2.11 C ATOM 1912 CE1 TYR A 122 -4.167 -9.738 -11.658 1.00 2.40 C ATOM 1913 CE2 TYR A 122 -3.073 -7.597 -11.225 1.00 2.27 C ATOM 1914 CZ TYR A 122 -4.156 -8.331 -11.768 1.00 1.56 C ATOM 1915 OH TYR A 122 -5.201 -7.702 -12.377 1.00 1.90 O ATOM 0 H TYR A 122 0.527 -9.518 -11.964 1.00 0.95 H new ATOM 0 HA TYR A 122 0.952 -11.327 -9.686 1.00 1.03 H new ATOM 0 HB2 TYR A 122 -1.426 -11.256 -9.146 1.00 1.10 H new ATOM 0 HB3 TYR A 122 -0.634 -9.723 -8.840 1.00 1.10 H new ATOM 0 HD1 TYR A 122 -3.143 -11.479 -10.898 1.00 2.35 H new ATOM 0 HD2 TYR A 122 -1.202 -7.708 -10.153 1.00 2.11 H new ATOM 0 HE1 TYR A 122 -4.978 -10.306 -12.089 1.00 2.40 H new ATOM 0 HE2 TYR A 122 -3.048 -6.521 -11.318 1.00 2.27 H new ATOM 0 HH TYR A 122 -5.524 -6.975 -11.804 1.00 1.90 H new ATOM 1925 N GLN A 123 0.223 -13.229 -11.103 1.00 0.99 N ATOM 1926 CA GLN A 123 0.050 -14.399 -11.967 1.00 1.03 C ATOM 1927 C GLN A 123 -0.668 -15.496 -11.178 1.00 1.25 C ATOM 1928 O GLN A 123 -0.323 -15.716 -10.029 1.00 1.42 O ATOM 1929 CB GLN A 123 1.442 -14.913 -12.397 1.00 1.14 C ATOM 1930 CG GLN A 123 1.951 -14.371 -13.741 1.00 1.89 C ATOM 1931 CD GLN A 123 2.131 -12.854 -13.830 1.00 3.25 C ATOM 1932 OE1 GLN A 123 2.612 -12.168 -12.944 1.00 4.20 O ATOM 1933 NE2 GLN A 123 1.775 -12.258 -14.950 1.00 4.69 N ATOM 0 H GLN A 123 0.609 -13.471 -10.191 1.00 0.99 H new ATOM 0 HA GLN A 123 -0.535 -14.132 -12.847 1.00 1.03 H new ATOM 0 HB2 GLN A 123 2.163 -14.654 -11.622 1.00 1.14 H new ATOM 0 HB3 GLN A 123 1.409 -16.001 -12.451 1.00 1.14 H new ATOM 0 HG2 GLN A 123 2.908 -14.844 -13.961 1.00 1.89 H new ATOM 0 HG3 GLN A 123 1.256 -14.680 -14.521 1.00 1.89 H new ATOM 0 HE21 GLN A 123 1.370 -12.803 -15.711 1.00 4.69 H new ATOM 0 HE22 GLN A 123 1.905 -11.252 -15.056 1.00 4.69 H new ATOM 1942 N LYS A 124 -1.613 -16.230 -11.783 1.00 1.17 N ATOM 1943 CA LYS A 124 -2.183 -17.435 -11.151 1.00 1.21 C ATOM 1944 C LYS A 124 -1.497 -18.705 -11.682 1.00 1.24 C ATOM 1945 O LYS A 124 -1.398 -18.910 -12.893 1.00 1.62 O ATOM 1946 CB LYS A 124 -3.722 -17.449 -11.239 1.00 1.43 C ATOM 1947 CG LYS A 124 -4.319 -17.597 -12.649 1.00 2.13 C ATOM 1948 CD LYS A 124 -5.855 -17.660 -12.627 1.00 2.65 C ATOM 1949 CE LYS A 124 -6.502 -16.323 -12.237 1.00 2.84 C ATOM 1950 NZ LYS A 124 -7.973 -16.363 -12.409 1.00 3.60 N ATOM 0 H LYS A 124 -1.998 -16.015 -12.703 1.00 1.17 H new ATOM 0 HA LYS A 124 -1.970 -17.412 -10.082 1.00 1.21 H new ATOM 0 HB2 LYS A 124 -4.093 -18.267 -10.622 1.00 1.43 H new ATOM 0 HB3 LYS A 124 -4.099 -16.524 -10.802 1.00 1.43 H new ATOM 0 HG2 LYS A 124 -4.001 -16.757 -13.266 1.00 2.13 H new ATOM 0 HG3 LYS A 124 -3.927 -18.501 -13.114 1.00 2.13 H new ATOM 0 HD2 LYS A 124 -6.216 -17.959 -13.611 1.00 2.65 H new ATOM 0 HD3 LYS A 124 -6.172 -18.430 -11.924 1.00 2.65 H new ATOM 0 HE2 LYS A 124 -6.262 -16.090 -11.200 1.00 2.84 H new ATOM 0 HE3 LYS A 124 -6.084 -15.523 -12.848 1.00 2.84 H new ATOM 0 HZ1 LYS A 124 -8.348 -15.393 -12.421 1.00 3.60 H new ATOM 0 HZ2 LYS A 124 -8.205 -16.834 -13.307 1.00 3.60 H new ATOM 0 HZ3 LYS A 124 -8.400 -16.890 -11.621 1.00 3.60 H new ATOM 2120 N VAL A 135 -1.817 -17.918 -6.412 1.00 1.53 N ATOM 2121 CA VAL A 135 -1.368 -16.787 -7.228 1.00 1.24 C ATOM 2122 C VAL A 135 -0.064 -16.278 -6.618 1.00 1.37 C ATOM 2123 O VAL A 135 0.104 -16.336 -5.399 1.00 1.45 O ATOM 2124 CB VAL A 135 -2.405 -15.631 -7.361 1.00 1.58 C ATOM 2125 CG1 VAL A 135 -3.824 -16.171 -7.592 1.00 2.87 C ATOM 2126 CG2 VAL A 135 -2.433 -14.642 -6.179 1.00 2.02 C ATOM 0 HA VAL A 135 -1.230 -17.142 -8.249 1.00 1.24 H new ATOM 0 HB VAL A 135 -2.062 -15.071 -8.231 1.00 1.58 H new ATOM 0 HG11 VAL A 135 -4.521 -15.337 -7.680 1.00 2.87 H new ATOM 0 HG12 VAL A 135 -3.845 -16.759 -8.509 1.00 2.87 H new ATOM 0 HG13 VAL A 135 -4.115 -16.800 -6.751 1.00 2.87 H new ATOM 0 HG21 VAL A 135 -3.185 -13.875 -6.364 1.00 2.02 H new ATOM 0 HG22 VAL A 135 -2.679 -15.178 -5.262 1.00 2.02 H new ATOM 0 HG23 VAL A 135 -1.455 -14.173 -6.074 1.00 2.02 H new ATOM 2136 N ASP A 136 0.825 -15.778 -7.464 1.00 0.88 N ATOM 2137 CA ASP A 136 2.127 -15.241 -7.097 1.00 0.89 C ATOM 2138 C ASP A 136 2.186 -13.769 -7.540 1.00 1.01 C ATOM 2139 O ASP A 136 1.782 -13.418 -8.653 1.00 1.18 O ATOM 2140 CB ASP A 136 3.223 -16.111 -7.735 1.00 1.32 C ATOM 2141 CG ASP A 136 3.116 -17.591 -7.316 1.00 3.06 C ATOM 2142 OD1 ASP A 136 3.341 -17.879 -6.120 1.00 4.34 O ATOM 2143 OD2 ASP A 136 2.817 -18.428 -8.201 1.00 3.94 O ATOM 0 H ASP A 136 0.651 -15.734 -8.468 1.00 0.88 H new ATOM 0 HA ASP A 136 2.289 -15.266 -6.019 1.00 0.89 H new ATOM 0 HB2 ASP A 136 3.156 -16.038 -8.820 1.00 1.32 H new ATOM 0 HB3 ASP A 136 4.202 -15.725 -7.450 1.00 1.32 H new ATOM 2148 N HIS A 137 2.640 -12.876 -6.658 1.00 0.75 N ATOM 2149 CA HIS A 137 2.619 -11.428 -6.868 1.00 0.82 C ATOM 2150 C HIS A 137 3.889 -10.737 -6.355 1.00 1.20 C ATOM 2151 O HIS A 137 4.654 -11.297 -5.564 1.00 1.44 O ATOM 2152 CB HIS A 137 1.370 -10.838 -6.187 1.00 1.03 C ATOM 2153 CG HIS A 137 1.395 -10.919 -4.678 1.00 1.32 C ATOM 2154 ND1 HIS A 137 1.887 -9.969 -3.809 1.00 2.35 N ATOM 2155 CD2 HIS A 137 0.892 -11.941 -3.913 1.00 1.68 C ATOM 2156 CE1 HIS A 137 1.660 -10.401 -2.556 1.00 2.64 C ATOM 2157 NE2 HIS A 137 1.043 -11.594 -2.565 1.00 2.13 N ATOM 0 H HIS A 137 3.041 -13.146 -5.760 1.00 0.75 H new ATOM 0 HA HIS A 137 2.583 -11.246 -7.942 1.00 0.82 H new ATOM 0 HB2 HIS A 137 1.267 -9.794 -6.483 1.00 1.03 H new ATOM 0 HB3 HIS A 137 0.487 -11.362 -6.554 1.00 1.03 H new ATOM 0 HD1 HIS A 137 2.342 -9.094 -4.070 1.00 2.35 H new ATOM 0 HD2 HIS A 137 0.455 -12.855 -4.286 1.00 1.68 H new ATOM 0 HE1 HIS A 137 1.937 -9.861 -1.662 1.00 2.64 H new ATOM 2166 N THR A 138 4.106 -9.482 -6.769 1.00 0.70 N ATOM 2167 CA THR A 138 5.218 -8.652 -6.277 1.00 0.73 C ATOM 2168 C THR A 138 5.018 -8.333 -4.795 1.00 1.13 C ATOM 2169 O THR A 138 3.948 -7.877 -4.398 1.00 1.93 O ATOM 2170 CB THR A 138 5.329 -7.349 -7.074 1.00 0.74 C ATOM 2171 OG1 THR A 138 4.993 -7.557 -8.422 1.00 1.66 O ATOM 2172 CG2 THR A 138 6.739 -6.775 -7.032 1.00 1.11 C ATOM 0 H THR A 138 3.516 -9.011 -7.455 1.00 0.70 H new ATOM 0 HA THR A 138 6.142 -9.215 -6.407 1.00 0.73 H new ATOM 0 HB THR A 138 4.636 -6.647 -6.610 1.00 0.74 H new ATOM 0 HG1 THR A 138 5.812 -7.658 -8.951 1.00 1.66 H new ATOM 0 HG21 THR A 138 6.773 -5.851 -7.610 1.00 1.11 H new ATOM 0 HG22 THR A 138 7.017 -6.567 -5.999 1.00 1.11 H new ATOM 0 HG23 THR A 138 7.438 -7.495 -7.457 1.00 1.11 H new ATOM 2180 N ALA A 139 6.058 -8.524 -3.979 1.00 1.48 N ATOM 2181 CA ALA A 139 6.052 -8.238 -2.538 1.00 1.72 C ATOM 2182 C ALA A 139 6.764 -6.902 -2.220 1.00 1.75 C ATOM 2183 O ALA A 139 7.808 -6.874 -1.566 1.00 2.19 O ATOM 2184 CB ALA A 139 6.660 -9.445 -1.809 1.00 2.11 C ATOM 0 H ALA A 139 6.951 -8.891 -4.308 1.00 1.48 H new ATOM 0 HA ALA A 139 5.031 -8.099 -2.181 1.00 1.72 H new ATOM 0 HB1 ALA A 139 6.667 -9.256 -0.735 1.00 2.11 H new ATOM 0 HB2 ALA A 139 6.064 -10.334 -2.018 1.00 2.11 H new ATOM 0 HB3 ALA A 139 7.681 -9.603 -2.156 1.00 2.11 H new ATOM 2190 N THR A 140 6.199 -5.799 -2.729 1.00 1.32 N ATOM 2191 CA THR A 140 6.800 -4.449 -2.708 1.00 1.15 C ATOM 2192 C THR A 140 5.804 -3.411 -2.181 1.00 1.13 C ATOM 2193 O THR A 140 4.590 -3.637 -2.192 1.00 1.36 O ATOM 2194 CB THR A 140 7.350 -4.100 -4.103 1.00 1.12 C ATOM 2195 OG1 THR A 140 8.339 -5.054 -4.402 1.00 1.46 O ATOM 2196 CG2 THR A 140 8.069 -2.756 -4.234 1.00 1.03 C ATOM 0 H THR A 140 5.285 -5.817 -3.181 1.00 1.32 H new ATOM 0 HA THR A 140 7.641 -4.438 -2.015 1.00 1.15 H new ATOM 0 HB THR A 140 6.476 -4.072 -4.754 1.00 1.12 H new ATOM 0 HG1 THR A 140 8.716 -4.868 -5.287 1.00 1.46 H new ATOM 0 HG21 THR A 140 8.410 -2.624 -5.261 1.00 1.03 H new ATOM 0 HG22 THR A 140 7.383 -1.950 -3.973 1.00 1.03 H new ATOM 0 HG23 THR A 140 8.926 -2.735 -3.561 1.00 1.03 H new ATOM 2204 N THR A 141 6.347 -2.283 -1.708 1.00 1.00 N ATOM 2205 CA THR A 141 5.648 -1.160 -1.072 1.00 0.90 C ATOM 2206 C THR A 141 6.053 0.143 -1.765 1.00 1.09 C ATOM 2207 O THR A 141 7.193 0.325 -2.189 1.00 1.15 O ATOM 2208 CB THR A 141 5.996 -1.121 0.421 1.00 1.00 C ATOM 2209 OG1 THR A 141 5.673 -2.362 1.003 1.00 1.25 O ATOM 2210 CG2 THR A 141 5.262 -0.041 1.214 1.00 1.31 C ATOM 0 H THR A 141 7.352 -2.120 -1.763 1.00 1.00 H new ATOM 0 HA THR A 141 4.570 -1.284 -1.169 1.00 0.90 H new ATOM 0 HB THR A 141 7.061 -0.894 0.468 1.00 1.00 H new ATOM 0 HG1 THR A 141 5.895 -2.343 1.957 1.00 1.25 H new ATOM 0 HG21 THR A 141 5.568 -0.086 2.259 1.00 1.31 H new ATOM 0 HG22 THR A 141 5.507 0.940 0.806 1.00 1.31 H new ATOM 0 HG23 THR A 141 4.187 -0.205 1.143 1.00 1.31 H new ATOM 2218 N PHE A 142 5.104 1.065 -1.906 1.00 0.73 N ATOM 2219 CA PHE A 142 5.235 2.238 -2.778 1.00 0.66 C ATOM 2220 C PHE A 142 4.789 3.505 -2.051 1.00 1.77 C ATOM 2221 O PHE A 142 3.818 3.448 -1.301 1.00 2.14 O ATOM 2222 CB PHE A 142 4.367 2.008 -4.026 1.00 0.65 C ATOM 2223 CG PHE A 142 4.759 0.791 -4.846 1.00 0.82 C ATOM 2224 CD1 PHE A 142 4.321 -0.489 -4.456 1.00 1.72 C ATOM 2225 CD2 PHE A 142 5.537 0.930 -6.010 1.00 1.99 C ATOM 2226 CE1 PHE A 142 4.711 -1.621 -5.185 1.00 1.70 C ATOM 2227 CE2 PHE A 142 5.928 -0.202 -6.742 1.00 1.89 C ATOM 2228 CZ PHE A 142 5.530 -1.480 -6.320 1.00 0.96 C ATOM 0 H PHE A 142 4.211 1.022 -1.414 1.00 0.73 H new ATOM 0 HA PHE A 142 6.279 2.370 -3.063 1.00 0.66 H new ATOM 0 HB2 PHE A 142 3.327 1.903 -3.716 1.00 0.65 H new ATOM 0 HB3 PHE A 142 4.423 2.892 -4.661 1.00 0.65 H new ATOM 0 HD1 PHE A 142 3.682 -0.599 -3.592 1.00 1.72 H new ATOM 0 HD2 PHE A 142 5.835 1.913 -6.342 1.00 1.99 H new ATOM 0 HE1 PHE A 142 4.382 -2.602 -4.875 1.00 1.70 H new ATOM 0 HE2 PHE A 142 6.534 -0.090 -7.629 1.00 1.89 H new ATOM 0 HZ PHE A 142 5.852 -2.354 -6.866 1.00 0.96 H new ATOM 2238 N VAL A 143 5.457 4.643 -2.288 1.00 0.58 N ATOM 2239 CA VAL A 143 5.147 5.923 -1.622 1.00 0.56 C ATOM 2240 C VAL A 143 4.809 7.001 -2.649 1.00 0.84 C ATOM 2241 O VAL A 143 5.625 7.350 -3.511 1.00 1.04 O ATOM 2242 CB VAL A 143 6.309 6.413 -0.735 1.00 0.65 C ATOM 2243 CG1 VAL A 143 5.993 7.756 -0.058 1.00 0.79 C ATOM 2244 CG2 VAL A 143 6.650 5.392 0.355 1.00 0.93 C ATOM 0 H VAL A 143 6.231 4.705 -2.949 1.00 0.58 H new ATOM 0 HA VAL A 143 4.283 5.741 -0.983 1.00 0.56 H new ATOM 0 HB VAL A 143 7.161 6.541 -1.402 1.00 0.65 H new ATOM 0 HG11 VAL A 143 6.840 8.062 0.557 1.00 0.79 H new ATOM 0 HG12 VAL A 143 5.806 8.512 -0.820 1.00 0.79 H new ATOM 0 HG13 VAL A 143 5.109 7.648 0.570 1.00 0.79 H new ATOM 0 HG21 VAL A 143 7.473 5.769 0.962 1.00 0.93 H new ATOM 0 HG22 VAL A 143 5.777 5.230 0.988 1.00 0.93 H new ATOM 0 HG23 VAL A 143 6.943 4.450 -0.108 1.00 0.93 H new ATOM 2254 N VAL A 144 3.605 7.546 -2.495 1.00 0.53 N ATOM 2255 CA VAL A 144 3.027 8.567 -3.375 1.00 0.59 C ATOM 2256 C VAL A 144 2.486 9.757 -2.583 1.00 0.98 C ATOM 2257 O VAL A 144 1.642 9.617 -1.696 1.00 1.10 O ATOM 2258 CB VAL A 144 1.929 7.985 -4.297 1.00 0.75 C ATOM 2259 CG1 VAL A 144 1.214 9.070 -5.130 1.00 1.39 C ATOM 2260 CG2 VAL A 144 2.554 6.970 -5.263 1.00 1.94 C ATOM 0 H VAL A 144 2.982 7.283 -1.731 1.00 0.53 H new ATOM 0 HA VAL A 144 3.839 8.923 -4.009 1.00 0.59 H new ATOM 0 HB VAL A 144 1.190 7.513 -3.649 1.00 0.75 H new ATOM 0 HG11 VAL A 144 0.454 8.605 -5.758 1.00 1.39 H new ATOM 0 HG12 VAL A 144 0.741 9.789 -4.461 1.00 1.39 H new ATOM 0 HG13 VAL A 144 1.941 9.583 -5.760 1.00 1.39 H new ATOM 0 HG21 VAL A 144 1.780 6.561 -5.912 1.00 1.94 H new ATOM 0 HG22 VAL A 144 3.312 7.465 -5.870 1.00 1.94 H new ATOM 0 HG23 VAL A 144 3.015 6.162 -4.694 1.00 1.94 H new ATOM 2270 N LYS A 145 2.969 10.937 -2.971 1.00 0.71 N ATOM 2271 CA LYS A 145 2.404 12.262 -2.690 1.00 0.91 C ATOM 2272 C LYS A 145 2.629 13.178 -3.910 1.00 0.97 C ATOM 2273 O LYS A 145 3.367 12.804 -4.818 1.00 1.24 O ATOM 2274 CB LYS A 145 3.033 12.788 -1.397 1.00 1.37 C ATOM 2275 CG LYS A 145 2.461 14.136 -0.924 1.00 1.71 C ATOM 2276 CD LYS A 145 2.677 14.223 0.584 1.00 2.34 C ATOM 2277 CE LYS A 145 2.517 15.624 1.192 1.00 2.47 C ATOM 2278 NZ LYS A 145 3.801 16.359 1.203 1.00 1.98 N ATOM 0 H LYS A 145 3.822 11.000 -3.527 1.00 0.71 H new ATOM 0 HA LYS A 145 1.326 12.222 -2.532 1.00 0.91 H new ATOM 0 HB2 LYS A 145 2.891 12.048 -0.609 1.00 1.37 H new ATOM 0 HB3 LYS A 145 4.108 12.893 -1.545 1.00 1.37 H new ATOM 0 HG2 LYS A 145 2.959 14.963 -1.431 1.00 1.71 H new ATOM 0 HG3 LYS A 145 1.400 14.208 -1.164 1.00 1.71 H new ATOM 0 HD2 LYS A 145 1.973 13.550 1.074 1.00 2.34 H new ATOM 0 HD3 LYS A 145 3.679 13.858 0.812 1.00 2.34 H new ATOM 0 HE2 LYS A 145 1.779 16.187 0.621 1.00 2.47 H new ATOM 0 HE3 LYS A 145 2.136 15.539 2.210 1.00 2.47 H new ATOM 0 HZ1 LYS A 145 3.669 17.281 1.666 1.00 1.98 H new ATOM 0 HZ2 LYS A 145 4.512 15.808 1.725 1.00 1.98 H new ATOM 0 HZ3 LYS A 145 4.126 16.505 0.226 1.00 1.98 H new ATOM 2292 N GLU A 146 1.927 14.309 -4.012 1.00 0.94 N ATOM 2293 CA GLU A 146 1.968 15.280 -5.127 1.00 1.20 C ATOM 2294 C GLU A 146 1.300 14.735 -6.413 1.00 1.44 C ATOM 2295 O GLU A 146 1.085 15.494 -7.355 1.00 1.71 O ATOM 2296 CB GLU A 146 3.406 15.770 -5.434 1.00 1.41 C ATOM 2297 CG GLU A 146 4.191 16.336 -4.234 1.00 2.09 C ATOM 2298 CD GLU A 146 5.682 16.436 -4.560 1.00 2.63 C ATOM 2299 OE1 GLU A 146 6.332 15.371 -4.664 1.00 3.91 O ATOM 2300 OE2 GLU A 146 6.208 17.535 -4.831 1.00 2.46 O ATOM 0 H GLU A 146 1.275 14.595 -3.281 1.00 0.94 H new ATOM 0 HA GLU A 146 1.388 16.138 -4.787 1.00 1.20 H new ATOM 0 HB2 GLU A 146 3.971 14.938 -5.854 1.00 1.41 H new ATOM 0 HB3 GLU A 146 3.351 16.540 -6.204 1.00 1.41 H new ATOM 0 HG2 GLU A 146 3.804 17.321 -3.972 1.00 2.09 H new ATOM 0 HG3 GLU A 146 4.046 15.695 -3.364 1.00 2.09 H new ATOM 2307 N GLY A 147 0.971 13.434 -6.472 1.00 1.21 N ATOM 2308 CA GLY A 147 0.529 12.714 -7.674 1.00 1.24 C ATOM 2309 C GLY A 147 1.625 11.856 -8.316 1.00 1.13 C ATOM 2310 O GLY A 147 1.443 11.390 -9.441 1.00 1.20 O ATOM 0 H GLY A 147 1.008 12.832 -5.649 1.00 1.21 H new ATOM 0 HA2 GLY A 147 -0.315 12.075 -7.414 1.00 1.24 H new ATOM 0 HA3 GLY A 147 0.169 13.436 -8.407 1.00 1.24 H new ATOM 2314 N ARG A 148 2.766 11.648 -7.640 1.00 0.92 N ATOM 2315 CA ARG A 148 3.924 10.909 -8.170 1.00 0.86 C ATOM 2316 C ARG A 148 4.573 9.958 -7.161 1.00 1.14 C ATOM 2317 O ARG A 148 4.560 10.192 -5.956 1.00 1.33 O ATOM 2318 CB ARG A 148 4.992 11.877 -8.726 1.00 1.03 C ATOM 2319 CG ARG A 148 5.323 13.039 -7.789 1.00 1.36 C ATOM 2320 CD ARG A 148 6.641 13.708 -8.197 1.00 1.72 C ATOM 2321 NE ARG A 148 7.047 14.755 -7.249 1.00 2.63 N ATOM 2322 CZ ARG A 148 7.895 15.751 -7.465 1.00 3.33 C ATOM 2323 NH1 ARG A 148 8.449 15.965 -8.642 1.00 3.61 N ATOM 2324 NH2 ARG A 148 8.189 16.561 -6.481 1.00 4.36 N ATOM 0 H ARG A 148 2.913 11.995 -6.692 1.00 0.92 H new ATOM 0 HA ARG A 148 3.523 10.291 -8.973 1.00 0.86 H new ATOM 0 HB2 ARG A 148 5.904 11.317 -8.931 1.00 1.03 H new ATOM 0 HB3 ARG A 148 4.644 12.278 -9.678 1.00 1.03 H new ATOM 0 HG2 ARG A 148 4.516 13.771 -7.811 1.00 1.36 H new ATOM 0 HG3 ARG A 148 5.396 12.676 -6.764 1.00 1.36 H new ATOM 0 HD2 ARG A 148 7.425 12.954 -8.261 1.00 1.72 H new ATOM 0 HD3 ARG A 148 6.534 14.142 -9.191 1.00 1.72 H new ATOM 0 HE ARG A 148 6.629 14.710 -6.320 1.00 2.63 H new ATOM 0 HH11 ARG A 148 8.230 15.353 -9.428 1.00 3.61 H new ATOM 0 HH12 ARG A 148 9.097 16.743 -8.767 1.00 3.61 H new ATOM 0 HH21 ARG A 148 7.768 16.422 -5.563 1.00 4.36 H new ATOM 0 HH22 ARG A 148 8.840 17.332 -6.632 1.00 4.36 H new ATOM 2338 N LEU A 149 5.222 8.905 -7.674 1.00 0.72 N ATOM 2339 CA LEU A 149 6.181 8.107 -6.907 1.00 0.73 C ATOM 2340 C LEU A 149 7.341 9.000 -6.454 1.00 1.03 C ATOM 2341 O LEU A 149 8.103 9.483 -7.289 1.00 1.33 O ATOM 2342 CB LEU A 149 6.722 6.933 -7.757 1.00 1.07 C ATOM 2343 CG LEU A 149 6.061 5.554 -7.568 1.00 0.92 C ATOM 2344 CD1 LEU A 149 6.121 5.103 -6.103 1.00 1.51 C ATOM 2345 CD2 LEU A 149 4.622 5.516 -8.083 1.00 2.48 C ATOM 0 H LEU A 149 5.095 8.584 -8.634 1.00 0.72 H new ATOM 0 HA LEU A 149 5.674 7.693 -6.035 1.00 0.73 H new ATOM 0 HB2 LEU A 149 6.631 7.208 -8.808 1.00 1.07 H new ATOM 0 HB3 LEU A 149 7.786 6.828 -7.546 1.00 1.07 H new ATOM 0 HG LEU A 149 6.637 4.852 -8.171 1.00 0.92 H new ATOM 0 HD11 LEU A 149 5.646 4.127 -6.003 1.00 1.51 H new ATOM 0 HD12 LEU A 149 7.162 5.035 -5.786 1.00 1.51 H new ATOM 0 HD13 LEU A 149 5.598 5.827 -5.478 1.00 1.51 H new ATOM 0 HD21 LEU A 149 4.205 4.521 -7.925 1.00 2.48 H new ATOM 0 HD22 LEU A 149 4.023 6.250 -7.544 1.00 2.48 H new ATOM 0 HD23 LEU A 149 4.610 5.749 -9.148 1.00 2.48 H new ATOM 2357 N VAL A 150 7.475 9.188 -5.143 1.00 0.67 N ATOM 2358 CA VAL A 150 8.578 9.929 -4.494 1.00 0.78 C ATOM 2359 C VAL A 150 9.538 9.008 -3.720 1.00 1.05 C ATOM 2360 O VAL A 150 10.646 9.425 -3.375 1.00 1.29 O ATOM 2361 CB VAL A 150 8.041 11.050 -3.561 1.00 0.86 C ATOM 2362 CG1 VAL A 150 7.369 12.158 -4.377 1.00 1.65 C ATOM 2363 CG2 VAL A 150 7.056 10.543 -2.494 1.00 1.19 C ATOM 0 H VAL A 150 6.801 8.820 -4.472 1.00 0.67 H new ATOM 0 HA VAL A 150 9.147 10.389 -5.302 1.00 0.78 H new ATOM 0 HB VAL A 150 8.914 11.440 -3.038 1.00 0.86 H new ATOM 0 HG11 VAL A 150 7.000 12.932 -3.704 1.00 1.65 H new ATOM 0 HG12 VAL A 150 8.093 12.591 -5.067 1.00 1.65 H new ATOM 0 HG13 VAL A 150 6.535 11.740 -4.941 1.00 1.65 H new ATOM 0 HG21 VAL A 150 6.723 11.379 -1.880 1.00 1.19 H new ATOM 0 HG22 VAL A 150 6.195 10.085 -2.982 1.00 1.19 H new ATOM 0 HG23 VAL A 150 7.551 9.804 -1.864 1.00 1.19 H new ATOM 2373 N LEU A 151 9.137 7.750 -3.485 1.00 0.75 N ATOM 2374 CA LEU A 151 9.833 6.790 -2.629 1.00 0.78 C ATOM 2375 C LEU A 151 9.300 5.365 -2.854 1.00 1.13 C ATOM 2376 O LEU A 151 8.149 5.166 -3.260 1.00 1.34 O ATOM 2377 CB LEU A 151 9.722 7.258 -1.157 1.00 0.82 C ATOM 2378 CG LEU A 151 11.059 7.759 -0.582 1.00 1.19 C ATOM 2379 CD1 LEU A 151 10.873 8.957 0.351 1.00 1.52 C ATOM 2380 CD2 LEU A 151 11.740 6.618 0.165 1.00 1.33 C ATOM 0 H LEU A 151 8.290 7.364 -3.902 1.00 0.75 H new ATOM 0 HA LEU A 151 10.891 6.752 -2.888 1.00 0.78 H new ATOM 0 HB2 LEU A 151 8.982 8.056 -1.090 1.00 0.82 H new ATOM 0 HB3 LEU A 151 9.357 6.433 -0.546 1.00 0.82 H new ATOM 0 HG LEU A 151 11.681 8.092 -1.413 1.00 1.19 H new ATOM 0 HD11 LEU A 151 11.843 9.275 0.732 1.00 1.52 H new ATOM 0 HD12 LEU A 151 10.412 9.778 -0.198 1.00 1.52 H new ATOM 0 HD13 LEU A 151 10.231 8.673 1.185 1.00 1.52 H new ATOM 0 HD21 LEU A 151 12.688 6.966 0.575 1.00 1.33 H new ATOM 0 HD22 LEU A 151 11.096 6.279 0.977 1.00 1.33 H new ATOM 0 HD23 LEU A 151 11.923 5.792 -0.522 1.00 1.33 H new ATOM 2392 N LEU A 152 10.151 4.373 -2.571 1.00 0.83 N ATOM 2393 CA LEU A 152 9.814 2.946 -2.600 1.00 0.81 C ATOM 2394 C LEU A 152 10.324 2.248 -1.338 1.00 1.25 C ATOM 2395 O LEU A 152 11.313 2.664 -0.733 1.00 1.40 O ATOM 2396 CB LEU A 152 10.418 2.269 -3.852 1.00 0.86 C ATOM 2397 CG LEU A 152 9.910 2.782 -5.212 1.00 0.90 C ATOM 2398 CD1 LEU A 152 10.741 2.159 -6.343 1.00 0.94 C ATOM 2399 CD2 LEU A 152 8.433 2.439 -5.429 1.00 1.02 C ATOM 0 H LEU A 152 11.121 4.546 -2.308 1.00 0.83 H new ATOM 0 HA LEU A 152 8.728 2.856 -2.640 1.00 0.81 H new ATOM 0 HB2 LEU A 152 11.500 2.394 -3.821 1.00 0.86 H new ATOM 0 HB3 LEU A 152 10.219 1.199 -3.793 1.00 0.86 H new ATOM 0 HG LEU A 152 10.015 3.867 -5.218 1.00 0.90 H new ATOM 0 HD11 LEU A 152 10.379 2.524 -7.304 1.00 0.94 H new ATOM 0 HD12 LEU A 152 11.788 2.436 -6.221 1.00 0.94 H new ATOM 0 HD13 LEU A 152 10.647 1.074 -6.308 1.00 0.94 H new ATOM 0 HD21 LEU A 152 8.110 2.817 -6.399 1.00 1.02 H new ATOM 0 HD22 LEU A 152 8.303 1.357 -5.399 1.00 1.02 H new ATOM 0 HD23 LEU A 152 7.834 2.898 -4.643 1.00 1.02 H new ATOM 2411 N TYR A 153 9.679 1.140 -0.995 1.00 0.72 N ATOM 2412 CA TYR A 153 10.011 0.254 0.117 1.00 0.70 C ATOM 2413 C TYR A 153 9.820 -1.216 -0.301 1.00 1.17 C ATOM 2414 O TYR A 153 9.112 -1.550 -1.248 1.00 1.59 O ATOM 2415 CB TYR A 153 9.126 0.605 1.334 1.00 0.63 C ATOM 2416 CG TYR A 153 9.780 1.462 2.402 1.00 0.90 C ATOM 2417 CD1 TYR A 153 9.786 2.869 2.307 1.00 1.80 C ATOM 2418 CD2 TYR A 153 10.341 0.838 3.536 1.00 2.07 C ATOM 2419 CE1 TYR A 153 10.363 3.650 3.332 1.00 1.93 C ATOM 2420 CE2 TYR A 153 10.915 1.615 4.559 1.00 2.34 C ATOM 2421 CZ TYR A 153 10.950 3.021 4.456 1.00 1.54 C ATOM 2422 OH TYR A 153 11.571 3.740 5.435 1.00 2.03 O ATOM 0 H TYR A 153 8.863 0.816 -1.514 1.00 0.72 H new ATOM 0 HA TYR A 153 11.056 0.390 0.395 1.00 0.70 H new ATOM 0 HB2 TYR A 153 8.236 1.122 0.975 1.00 0.63 H new ATOM 0 HB3 TYR A 153 8.791 -0.324 1.795 1.00 0.63 H new ATOM 0 HD1 TYR A 153 9.347 3.351 1.446 1.00 1.80 H new ATOM 0 HD2 TYR A 153 10.330 -0.239 3.619 1.00 2.07 H new ATOM 0 HE1 TYR A 153 10.356 4.727 3.258 1.00 1.93 H new ATOM 0 HE2 TYR A 153 11.332 1.131 5.430 1.00 2.34 H new ATOM 0 HH TYR A 153 11.900 4.584 5.062 1.00 2.03 H new ATOM 2432 N SER A 154 10.416 -2.133 0.443 1.00 0.97 N ATOM 2433 CA SER A 154 9.978 -3.533 0.515 1.00 0.85 C ATOM 2434 C SER A 154 9.459 -3.790 1.944 1.00 1.04 C ATOM 2435 O SER A 154 9.817 -3.014 2.840 1.00 1.20 O ATOM 2436 CB SER A 154 11.136 -4.453 0.096 1.00 0.91 C ATOM 2437 OG SER A 154 12.283 -4.283 0.908 1.00 2.08 O ATOM 0 H SER A 154 11.229 -1.932 1.025 1.00 0.97 H new ATOM 0 HA SER A 154 9.162 -3.748 -0.175 1.00 0.85 H new ATOM 0 HB2 SER A 154 10.808 -5.491 0.148 1.00 0.91 H new ATOM 0 HB3 SER A 154 11.397 -4.253 -0.943 1.00 0.91 H new ATOM 0 HG SER A 154 12.129 -4.697 1.783 1.00 2.08 H new ATOM 2443 N PRO A 155 8.602 -4.803 2.177 1.00 0.85 N ATOM 2444 CA PRO A 155 7.907 -4.952 3.447 1.00 1.16 C ATOM 2445 C PRO A 155 8.869 -5.198 4.610 1.00 1.38 C ATOM 2446 O PRO A 155 8.685 -4.568 5.643 1.00 1.40 O ATOM 2447 CB PRO A 155 6.899 -6.087 3.255 1.00 1.41 C ATOM 2448 CG PRO A 155 7.452 -6.875 2.071 1.00 1.26 C ATOM 2449 CD PRO A 155 8.124 -5.796 1.230 1.00 0.96 C ATOM 0 HA PRO A 155 7.392 -4.031 3.720 1.00 1.16 H new ATOM 0 HB2 PRO A 155 6.823 -6.708 4.147 1.00 1.41 H new ATOM 0 HB3 PRO A 155 5.900 -5.703 3.047 1.00 1.41 H new ATOM 0 HG2 PRO A 155 8.161 -7.639 2.390 1.00 1.26 H new ATOM 0 HG3 PRO A 155 6.661 -7.384 1.519 1.00 1.26 H new ATOM 0 HD2 PRO A 155 8.947 -6.209 0.647 1.00 0.96 H new ATOM 0 HD3 PRO A 155 7.421 -5.356 0.522 1.00 0.96 H new ATOM 2457 N ASP A 156 9.929 -5.999 4.425 1.00 1.21 N ATOM 2458 CA ASP A 156 10.988 -6.230 5.424 1.00 1.51 C ATOM 2459 C ASP A 156 11.606 -4.933 5.958 1.00 1.84 C ATOM 2460 O ASP A 156 11.803 -4.732 7.155 1.00 2.69 O ATOM 2461 CB ASP A 156 12.071 -7.164 4.835 1.00 1.65 C ATOM 2462 CG ASP A 156 12.905 -6.550 3.697 1.00 1.67 C ATOM 2463 OD1 ASP A 156 12.320 -6.017 2.722 1.00 2.30 O ATOM 2464 OD2 ASP A 156 14.155 -6.561 3.745 1.00 2.25 O ATOM 0 H ASP A 156 10.079 -6.516 3.559 1.00 1.21 H new ATOM 0 HA ASP A 156 10.522 -6.713 6.283 1.00 1.51 H new ATOM 0 HB2 ASP A 156 12.744 -7.467 5.637 1.00 1.65 H new ATOM 0 HB3 ASP A 156 11.588 -8.069 4.465 1.00 1.65 H new ATOM 2469 N LYS A 157 11.840 -4.007 5.039 1.00 1.10 N ATOM 2470 CA LYS A 157 12.374 -2.681 5.333 1.00 1.05 C ATOM 2471 C LYS A 157 11.326 -1.800 6.022 1.00 1.32 C ATOM 2472 O LYS A 157 11.695 -0.961 6.839 1.00 1.36 O ATOM 2473 CB LYS A 157 12.943 -2.057 4.050 1.00 1.13 C ATOM 2474 CG LYS A 157 14.235 -2.824 3.768 1.00 1.86 C ATOM 2475 CD LYS A 157 14.844 -2.577 2.395 1.00 1.67 C ATOM 2476 CE LYS A 157 15.760 -3.783 2.176 1.00 2.29 C ATOM 2477 NZ LYS A 157 15.013 -4.971 1.690 1.00 3.20 N ATOM 0 H LYS A 157 11.661 -4.158 4.046 1.00 1.10 H new ATOM 0 HA LYS A 157 13.196 -2.769 6.044 1.00 1.05 H new ATOM 0 HB2 LYS A 157 12.241 -2.151 3.222 1.00 1.13 H new ATOM 0 HB3 LYS A 157 13.138 -0.993 4.183 1.00 1.13 H new ATOM 0 HG2 LYS A 157 14.970 -2.559 4.528 1.00 1.86 H new ATOM 0 HG3 LYS A 157 14.037 -3.891 3.874 1.00 1.86 H new ATOM 0 HD2 LYS A 157 14.077 -2.513 1.623 1.00 1.67 H new ATOM 0 HD3 LYS A 157 15.402 -1.641 2.368 1.00 1.67 H new ATOM 0 HE2 LYS A 157 16.535 -3.523 1.455 1.00 2.29 H new ATOM 0 HE3 LYS A 157 16.264 -4.029 3.111 1.00 2.29 H new ATOM 0 HZ1 LYS A 157 14.995 -5.698 2.433 1.00 3.20 H new ATOM 0 HZ2 LYS A 157 14.039 -4.695 1.452 1.00 3.20 H new ATOM 0 HZ3 LYS A 157 15.481 -5.353 0.843 1.00 3.20 H new ATOM 2491 N ALA A 158 10.037 -2.006 5.736 1.00 0.92 N ATOM 2492 CA ALA A 158 8.933 -1.324 6.410 1.00 0.97 C ATOM 2493 C ALA A 158 8.634 -1.884 7.816 1.00 1.17 C ATOM 2494 O ALA A 158 8.017 -1.181 8.613 1.00 1.20 O ATOM 2495 CB ALA A 158 7.696 -1.372 5.501 1.00 1.05 C ATOM 0 H ALA A 158 9.729 -2.662 5.018 1.00 0.92 H new ATOM 0 HA ALA A 158 9.227 -0.288 6.580 1.00 0.97 H new ATOM 0 HB1 ALA A 158 6.864 -0.867 5.992 1.00 1.05 H new ATOM 0 HB2 ALA A 158 7.918 -0.873 4.558 1.00 1.05 H new ATOM 0 HB3 ALA A 158 7.427 -2.410 5.308 1.00 1.05 H new ATOM 2501 N GLU A 159 9.102 -3.091 8.166 1.00 0.88 N ATOM 2502 CA GLU A 159 8.942 -3.615 9.536 1.00 0.89 C ATOM 2503 C GLU A 159 9.807 -2.850 10.564 1.00 1.26 C ATOM 2504 O GLU A 159 9.500 -2.834 11.761 1.00 1.47 O ATOM 2505 CB GLU A 159 9.134 -5.143 9.611 1.00 0.98 C ATOM 2506 CG GLU A 159 8.252 -5.860 8.574 1.00 1.09 C ATOM 2507 CD GLU A 159 7.860 -7.293 8.915 1.00 1.62 C ATOM 2508 OE1 GLU A 159 8.703 -8.016 9.485 1.00 2.67 O ATOM 2509 OE2 GLU A 159 6.718 -7.656 8.546 1.00 2.55 O ATOM 0 H GLU A 159 9.590 -3.720 7.528 1.00 0.88 H new ATOM 0 HA GLU A 159 7.905 -3.430 9.817 1.00 0.89 H new ATOM 0 HB2 GLU A 159 10.181 -5.391 9.437 1.00 0.98 H new ATOM 0 HB3 GLU A 159 8.885 -5.496 10.612 1.00 0.98 H new ATOM 0 HG2 GLU A 159 7.341 -5.277 8.434 1.00 1.09 H new ATOM 0 HG3 GLU A 159 8.777 -5.864 7.619 1.00 1.09 H new ATOM 2516 N ALA A 160 10.827 -2.118 10.088 1.00 0.90 N ATOM 2517 CA ALA A 160 11.600 -1.123 10.833 1.00 0.88 C ATOM 2518 C ALA A 160 10.728 0.110 11.151 1.00 1.13 C ATOM 2519 O ALA A 160 10.859 1.194 10.572 1.00 1.14 O ATOM 2520 CB ALA A 160 12.880 -0.792 10.052 1.00 0.88 C ATOM 0 H ALA A 160 11.147 -2.212 9.124 1.00 0.90 H new ATOM 0 HA ALA A 160 11.909 -1.522 11.799 1.00 0.88 H new ATOM 0 HB1 ALA A 160 13.460 -0.051 10.602 1.00 0.88 H new ATOM 0 HB2 ALA A 160 13.474 -1.697 9.926 1.00 0.88 H new ATOM 0 HB3 ALA A 160 12.616 -0.392 9.073 1.00 0.88 H new ATOM 2526 N THR A 161 9.817 -0.109 12.098 1.00 1.00 N ATOM 2527 CA THR A 161 8.711 0.764 12.499 1.00 1.12 C ATOM 2528 C THR A 161 9.155 2.205 12.709 1.00 1.31 C ATOM 2529 O THR A 161 8.598 3.111 12.093 1.00 1.57 O ATOM 2530 CB THR A 161 8.084 0.181 13.766 1.00 1.25 C ATOM 2531 OG1 THR A 161 7.571 -1.101 13.474 1.00 1.45 O ATOM 2532 CG2 THR A 161 6.933 1.028 14.304 1.00 1.59 C ATOM 0 H THR A 161 9.833 -0.968 12.648 1.00 1.00 H new ATOM 0 HA THR A 161 7.974 0.799 11.697 1.00 1.12 H new ATOM 0 HB THR A 161 8.868 0.150 14.523 1.00 1.25 H new ATOM 0 HG1 THR A 161 7.168 -1.484 14.281 1.00 1.45 H new ATOM 0 HG21 THR A 161 6.529 0.563 15.203 1.00 1.59 H new ATOM 0 HG22 THR A 161 7.297 2.027 14.544 1.00 1.59 H new ATOM 0 HG23 THR A 161 6.150 1.099 13.549 1.00 1.59 H new ATOM 2540 N ASP A 162 10.182 2.432 13.525 1.00 1.25 N ATOM 2541 CA ASP A 162 10.700 3.770 13.818 1.00 1.37 C ATOM 2542 C ASP A 162 11.306 4.444 12.573 1.00 1.58 C ATOM 2543 O ASP A 162 11.056 5.621 12.324 1.00 1.82 O ATOM 2544 CB ASP A 162 11.700 3.681 14.980 1.00 1.32 C ATOM 2545 CG ASP A 162 13.039 3.062 14.579 1.00 2.13 C ATOM 2546 OD1 ASP A 162 13.047 1.944 14.014 1.00 3.33 O ATOM 2547 OD2 ASP A 162 14.071 3.746 14.755 1.00 3.53 O ATOM 0 H ASP A 162 10.684 1.686 14.007 1.00 1.25 H new ATOM 0 HA ASP A 162 9.871 4.410 14.120 1.00 1.37 H new ATOM 0 HB2 ASP A 162 11.874 4.681 15.378 1.00 1.32 H new ATOM 0 HB3 ASP A 162 11.261 3.090 15.784 1.00 1.32 H new ATOM 2552 N ARG A 163 12.023 3.696 11.722 1.00 1.35 N ATOM 2553 CA ARG A 163 12.462 4.181 10.414 1.00 1.42 C ATOM 2554 C ARG A 163 11.284 4.591 9.525 1.00 1.54 C ATOM 2555 O ARG A 163 11.364 5.654 8.908 1.00 1.81 O ATOM 2556 CB ARG A 163 13.338 3.127 9.728 1.00 1.41 C ATOM 2557 CG ARG A 163 14.810 3.226 10.126 1.00 1.69 C ATOM 2558 CD ARG A 163 15.118 3.112 11.621 1.00 2.14 C ATOM 2559 NE ARG A 163 16.576 3.025 11.812 1.00 2.13 N ATOM 2560 CZ ARG A 163 17.226 3.017 12.970 1.00 3.21 C ATOM 2561 NH1 ARG A 163 16.612 3.125 14.124 1.00 4.39 N ATOM 2562 NH2 ARG A 163 18.539 2.894 12.983 1.00 3.53 N ATOM 0 H ARG A 163 12.313 2.739 11.925 1.00 1.35 H new ATOM 0 HA ARG A 163 13.057 5.080 10.574 1.00 1.42 H new ATOM 0 HB2 ARG A 163 12.965 2.134 9.978 1.00 1.41 H new ATOM 0 HB3 ARG A 163 13.251 3.237 8.647 1.00 1.41 H new ATOM 0 HG2 ARG A 163 15.359 2.443 9.603 1.00 1.69 H new ATOM 0 HG3 ARG A 163 15.197 4.180 9.769 1.00 1.69 H new ATOM 0 HD2 ARG A 163 14.721 3.977 12.153 1.00 2.14 H new ATOM 0 HD3 ARG A 163 14.632 2.230 12.038 1.00 2.14 H new ATOM 0 HE ARG A 163 17.145 2.965 10.968 1.00 2.13 H new ATOM 0 HH11 ARG A 163 15.597 3.220 14.155 1.00 4.39 H new ATOM 0 HH12 ARG A 163 17.150 3.114 14.991 1.00 4.39 H new ATOM 0 HH21 ARG A 163 19.052 2.805 12.106 1.00 3.53 H new ATOM 0 HH22 ARG A 163 19.042 2.887 13.870 1.00 3.53 H new ATOM 2576 N VAL A 164 10.171 3.847 9.531 1.00 1.34 N ATOM 2577 CA VAL A 164 8.962 4.267 8.796 1.00 1.36 C ATOM 2578 C VAL A 164 8.365 5.559 9.383 1.00 1.57 C ATOM 2579 O VAL A 164 8.001 6.436 8.604 1.00 1.72 O ATOM 2580 CB VAL A 164 7.913 3.142 8.677 1.00 1.21 C ATOM 2581 CG1 VAL A 164 6.649 3.609 7.936 1.00 1.23 C ATOM 2582 CG2 VAL A 164 8.499 1.966 7.880 1.00 1.18 C ATOM 0 H VAL A 164 10.078 2.961 10.029 1.00 1.34 H new ATOM 0 HA VAL A 164 9.278 4.489 7.777 1.00 1.36 H new ATOM 0 HB VAL A 164 7.650 2.848 9.693 1.00 1.21 H new ATOM 0 HG11 VAL A 164 5.938 2.785 7.875 1.00 1.23 H new ATOM 0 HG12 VAL A 164 6.196 4.440 8.477 1.00 1.23 H new ATOM 0 HG13 VAL A 164 6.916 3.933 6.930 1.00 1.23 H new ATOM 0 HG21 VAL A 164 7.754 1.174 7.799 1.00 1.18 H new ATOM 0 HG22 VAL A 164 8.778 2.306 6.882 1.00 1.18 H new ATOM 0 HG23 VAL A 164 9.381 1.583 8.393 1.00 1.18 H new ATOM 2592 N VAL A 165 8.334 5.738 10.716 1.00 1.51 N ATOM 2593 CA VAL A 165 7.941 7.041 11.314 1.00 1.60 C ATOM 2594 C VAL A 165 8.781 8.209 10.767 1.00 1.68 C ATOM 2595 O VAL A 165 8.228 9.267 10.464 1.00 1.89 O ATOM 2596 CB VAL A 165 8.016 7.056 12.867 1.00 1.61 C ATOM 2597 CG1 VAL A 165 7.667 8.434 13.467 1.00 1.76 C ATOM 2598 CG2 VAL A 165 7.050 6.039 13.484 1.00 1.82 C ATOM 0 H VAL A 165 8.571 5.015 11.395 1.00 1.51 H new ATOM 0 HA VAL A 165 6.899 7.172 11.021 1.00 1.60 H new ATOM 0 HB VAL A 165 9.050 6.805 13.104 1.00 1.61 H new ATOM 0 HG11 VAL A 165 7.736 8.386 14.554 1.00 1.76 H new ATOM 0 HG12 VAL A 165 8.366 9.182 13.092 1.00 1.76 H new ATOM 0 HG13 VAL A 165 6.652 8.710 13.180 1.00 1.76 H new ATOM 0 HG21 VAL A 165 7.128 6.076 14.571 1.00 1.82 H new ATOM 0 HG22 VAL A 165 6.030 6.279 13.185 1.00 1.82 H new ATOM 0 HG23 VAL A 165 7.304 5.038 13.136 1.00 1.82 H new ATOM 2608 N ALA A 166 10.100 8.036 10.633 1.00 1.58 N ATOM 2609 CA ALA A 166 11.016 9.082 10.166 1.00 1.65 C ATOM 2610 C ALA A 166 10.840 9.418 8.669 1.00 1.84 C ATOM 2611 O ALA A 166 10.747 10.596 8.323 1.00 2.13 O ATOM 2612 CB ALA A 166 12.439 8.615 10.509 1.00 1.60 C ATOM 0 H ALA A 166 10.567 7.155 10.848 1.00 1.58 H new ATOM 0 HA ALA A 166 10.795 10.023 10.669 1.00 1.65 H new ATOM 0 HB1 ALA A 166 13.158 9.365 10.179 1.00 1.60 H new ATOM 0 HB2 ALA A 166 12.527 8.478 11.587 1.00 1.60 H new ATOM 0 HB3 ALA A 166 12.643 7.670 10.005 1.00 1.60 H new ATOM 2618 N ASP A 167 10.720 8.410 7.799 1.00 1.60 N ATOM 2619 CA ASP A 167 10.385 8.603 6.374 1.00 1.74 C ATOM 2620 C ASP A 167 9.066 9.380 6.207 1.00 2.12 C ATOM 2621 O ASP A 167 9.004 10.348 5.449 1.00 2.21 O ATOM 2622 CB ASP A 167 10.282 7.244 5.658 1.00 1.82 C ATOM 2623 CG ASP A 167 11.419 6.987 4.664 1.00 1.68 C ATOM 2624 OD1 ASP A 167 11.262 7.343 3.476 1.00 2.23 O ATOM 2625 OD2 ASP A 167 12.402 6.328 5.065 1.00 2.56 O ATOM 0 H ASP A 167 10.852 7.432 8.059 1.00 1.60 H new ATOM 0 HA ASP A 167 11.186 9.189 5.923 1.00 1.74 H new ATOM 0 HB2 ASP A 167 10.276 6.449 6.404 1.00 1.82 H new ATOM 0 HB3 ASP A 167 9.330 7.192 5.130 1.00 1.82 H new ATOM 2630 N LEU A 168 8.015 9.004 6.950 1.00 1.83 N ATOM 2631 CA LEU A 168 6.710 9.686 6.910 1.00 1.94 C ATOM 2632 C LEU A 168 6.760 11.129 7.430 1.00 2.17 C ATOM 2633 O LEU A 168 5.965 11.965 6.999 1.00 2.44 O ATOM 2634 CB LEU A 168 5.679 8.880 7.718 1.00 1.93 C ATOM 2635 CG LEU A 168 5.307 7.512 7.108 1.00 1.82 C ATOM 2636 CD1 LEU A 168 4.465 6.730 8.124 1.00 2.39 C ATOM 2637 CD2 LEU A 168 4.517 7.678 5.803 1.00 2.12 C ATOM 0 H LEU A 168 8.045 8.217 7.598 1.00 1.83 H new ATOM 0 HA LEU A 168 6.418 9.741 5.861 1.00 1.94 H new ATOM 0 HB2 LEU A 168 6.070 8.720 8.723 1.00 1.93 H new ATOM 0 HB3 LEU A 168 4.772 9.476 7.820 1.00 1.93 H new ATOM 0 HG LEU A 168 6.225 6.971 6.877 1.00 1.82 H new ATOM 0 HD11 LEU A 168 4.196 5.761 7.704 1.00 2.39 H new ATOM 0 HD12 LEU A 168 5.041 6.582 9.037 1.00 2.39 H new ATOM 0 HD13 LEU A 168 3.559 7.290 8.354 1.00 2.39 H new ATOM 0 HD21 LEU A 168 4.271 6.696 5.399 1.00 2.12 H new ATOM 0 HD22 LEU A 168 3.598 8.230 6.002 1.00 2.12 H new ATOM 0 HD23 LEU A 168 5.120 8.227 5.080 1.00 2.12 H new ATOM 2649 N GLN A 169 7.699 11.422 8.327 1.00 1.90 N ATOM 2650 CA GLN A 169 8.002 12.778 8.793 1.00 1.94 C ATOM 2651 C GLN A 169 8.682 13.643 7.719 1.00 2.07 C ATOM 2652 O GLN A 169 8.436 14.849 7.693 1.00 2.19 O ATOM 2653 CB GLN A 169 8.844 12.708 10.087 1.00 1.92 C ATOM 2654 CG GLN A 169 7.981 12.706 11.363 1.00 2.10 C ATOM 2655 CD GLN A 169 8.640 13.457 12.522 1.00 2.02 C ATOM 2656 OE1 GLN A 169 8.171 14.496 12.953 1.00 2.67 O ATOM 2657 NE2 GLN A 169 9.744 12.993 13.069 1.00 1.96 N ATOM 0 H GLN A 169 8.285 10.709 8.761 1.00 1.90 H new ATOM 0 HA GLN A 169 7.055 13.273 9.010 1.00 1.94 H new ATOM 0 HB2 GLN A 169 9.457 11.807 10.067 1.00 1.92 H new ATOM 0 HB3 GLN A 169 9.526 13.557 10.117 1.00 1.92 H new ATOM 0 HG2 GLN A 169 7.015 13.160 11.144 1.00 2.10 H new ATOM 0 HG3 GLN A 169 7.788 11.677 11.665 1.00 2.10 H new ATOM 0 HE21 GLN A 169 10.157 12.125 12.727 1.00 1.96 H new ATOM 0 HE22 GLN A 169 10.186 13.501 13.835 1.00 1.96 H new ATOM 2666 N ALA A 170 9.491 13.071 6.819 1.00 1.96 N ATOM 2667 CA ALA A 170 10.038 13.785 5.657 1.00 2.04 C ATOM 2668 C ALA A 170 8.999 14.072 4.554 1.00 2.24 C ATOM 2669 O ALA A 170 9.170 14.991 3.757 1.00 2.50 O ATOM 2670 CB ALA A 170 11.188 12.941 5.102 1.00 2.02 C ATOM 0 H ALA A 170 9.786 12.096 6.876 1.00 1.96 H new ATOM 0 HA ALA A 170 10.378 14.766 5.988 1.00 2.04 H new ATOM 0 HB1 ALA A 170 11.621 13.441 4.235 1.00 2.02 H new ATOM 0 HB2 ALA A 170 11.952 12.818 5.869 1.00 2.02 H new ATOM 0 HB3 ALA A 170 10.811 11.962 4.806 1.00 2.02 H new ATOM 2676 N LEU A 171 7.957 13.240 4.489 1.00 2.00 N ATOM 2677 CA LEU A 171 6.943 13.220 3.426 1.00 2.07 C ATOM 2678 C LEU A 171 5.751 14.166 3.665 1.00 2.23 C ATOM 2679 O LEU A 171 4.947 14.327 2.750 1.00 2.36 O ATOM 2680 CB LEU A 171 6.471 11.761 3.263 1.00 2.23 C ATOM 2681 CG LEU A 171 7.525 10.835 2.613 1.00 2.03 C ATOM 2682 CD1 LEU A 171 7.178 9.365 2.886 1.00 2.35 C ATOM 2683 CD2 LEU A 171 7.592 11.069 1.096 1.00 2.42 C ATOM 0 H LEU A 171 7.788 12.532 5.203 1.00 2.00 H new ATOM 0 HA LEU A 171 7.404 13.596 2.513 1.00 2.07 H new ATOM 0 HB2 LEU A 171 6.205 11.363 4.242 1.00 2.23 H new ATOM 0 HB3 LEU A 171 5.565 11.747 2.657 1.00 2.23 H new ATOM 0 HG LEU A 171 8.496 11.067 3.050 1.00 2.03 H new ATOM 0 HD11 LEU A 171 7.927 8.722 2.423 1.00 2.35 H new ATOM 0 HD12 LEU A 171 7.163 9.188 3.961 1.00 2.35 H new ATOM 0 HD13 LEU A 171 6.197 9.139 2.467 1.00 2.35 H new ATOM 0 HD21 LEU A 171 8.340 10.407 0.658 1.00 2.42 H new ATOM 0 HD22 LEU A 171 6.619 10.860 0.652 1.00 2.42 H new ATOM 0 HD23 LEU A 171 7.865 12.106 0.899 1.00 2.42 H new ATOM 2695 N LEU A 172 5.616 14.756 4.856 1.00 1.99 N ATOM 2696 CA LEU A 172 4.564 15.711 5.263 1.00 1.92 C ATOM 2697 C LEU A 172 4.178 16.788 4.225 1.00 2.02 C ATOM 2698 O LEU A 172 2.967 17.115 4.200 1.00 2.65 O ATOM 2699 CB LEU A 172 5.002 16.344 6.603 1.00 1.99 C ATOM 2700 CG LEU A 172 5.086 15.388 7.805 1.00 2.00 C ATOM 2701 CD1 LEU A 172 5.627 16.147 9.015 1.00 2.35 C ATOM 2702 CD2 LEU A 172 3.716 14.843 8.202 1.00 2.58 C ATOM 2703 OXT LEU A 172 5.025 17.288 3.459 1.00 2.22 O ATOM 0 H LEU A 172 6.275 14.573 5.613 1.00 1.99 H new ATOM 0 HA LEU A 172 3.641 15.140 5.362 1.00 1.92 H new ATOM 0 HB2 LEU A 172 5.980 16.805 6.462 1.00 1.99 H new ATOM 0 HB3 LEU A 172 4.304 17.145 6.849 1.00 1.99 H new ATOM 0 HG LEU A 172 5.734 14.562 7.511 1.00 2.00 H new ATOM 0 HD11 LEU A 172 5.688 15.473 9.870 1.00 2.35 H new ATOM 0 HD12 LEU A 172 6.620 16.535 8.787 1.00 2.35 H new ATOM 0 HD13 LEU A 172 4.960 16.975 9.253 1.00 2.35 H new ATOM 0 HD21 LEU A 172 3.824 14.173 9.055 1.00 2.58 H new ATOM 0 HD22 LEU A 172 3.060 15.670 8.472 1.00 2.58 H new ATOM 0 HD23 LEU A 172 3.285 14.296 7.363 1.00 2.58 H new