USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 835 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 135 HIS : no HD1:sc= 0 X(o=0.65,f=0.32) USER MOD Set 1.2: A 136 SER OG : rot -18:sc= 0.647 USER MOD Set 2.1: A 123 TYR OH : rot -132:sc= 1.12 USER MOD Set 2.2: A 138 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.2) USER MOD Set 3.1: A 59 ASN : amide:sc= 0.0986 K(o=1.4,f=0.47) USER MOD Set 3.2: A 143 LYS NZ :NH3+ 145:sc= 1.31 (180deg=1.13) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -95:sc= 1.22 USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0142 USER MOD Single : A 38 SER OG : rot -66:sc= 0.881 USER MOD Single : A 40 ASN : amide:sc= -0.588 K(o=-0.59,f=-2.8!) USER MOD Single : A 41 SER OG : rot -146:sc= 0.181 USER MOD Single : A 43 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4!) USER MOD Single : A 47 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= 0.106 K(o=0.11,f=-0.59) USER MOD Single : A 57 TYR OH : rot 62:sc= 1.23 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.998 K(o=-1,f=-1.8) USER MOD Single : A 64 THR OG1 : rot 39:sc= 1.21 USER MOD Single : A 65 THR OG1 : rot -130:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.278 K(o=-0.28,f=-5.9!) USER MOD Single : A 74 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.16) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 0.212 (180deg=0.206) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 150:sc= -0.138 USER MOD Single : A 100 LYS NZ :NH3+ -178:sc= 0.882 (180deg=0.879) USER MOD Single : A 104 LYS NZ :NH3+ 171:sc= 1.2 (180deg=0.858) USER MOD Single : A 105 SER OG : rot -139:sc= 1.23 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 SER OG : rot 180:sc= 0 USER MOD Single : A 132 CYS SG : rot 136:sc= -4.11! USER MOD Single : A 141 MET CE :methyl -140:sc= -0.235 (180deg=-1.33) USER MOD Single : A 142 SER OG : rot -55:sc= 0.712 USER MOD ----------------------------------------------------------------- ATOM 60 N ASP A 18 -14.753 11.887 11.554 1.00 62.55 N ATOM 61 CA ASP A 18 -14.319 11.037 12.647 1.00 32.10 C ATOM 62 C ASP A 18 -15.207 9.826 12.782 1.00 53.13 C ATOM 63 O ASP A 18 -14.721 8.712 12.940 1.00 44.45 O ATOM 64 CB ASP A 18 -14.315 11.803 13.962 1.00 71.13 C ATOM 65 CG ASP A 18 -13.183 12.783 14.094 1.00 53.41 C ATOM 66 OD1 ASP A 18 -13.382 13.987 13.820 1.00 53.13 O ATOM 67 OD2 ASP A 18 -12.072 12.381 14.508 1.00 2.33 O ATOM 0 HA ASP A 18 -13.305 10.710 12.418 1.00 32.10 H new ATOM 0 HB2 ASP A 18 -15.259 12.338 14.062 1.00 71.13 H new ATOM 0 HB3 ASP A 18 -14.264 11.091 14.786 1.00 71.13 H new ATOM 72 N LEU A 19 -16.510 10.038 12.681 1.00 61.12 N ATOM 73 CA LEU A 19 -17.476 8.970 12.823 1.00 75.31 C ATOM 74 C LEU A 19 -17.314 8.007 11.668 1.00 12.21 C ATOM 75 O LEU A 19 -17.290 6.793 11.865 1.00 11.55 O ATOM 76 CB LEU A 19 -18.920 9.559 12.917 1.00 51.42 C ATOM 77 CG LEU A 19 -20.113 8.606 13.235 1.00 52.10 C ATOM 78 CD1 LEU A 19 -20.473 7.709 12.061 1.00 53.40 C ATOM 79 CD2 LEU A 19 -19.821 7.770 14.477 1.00 75.51 C ATOM 0 H LEU A 19 -16.922 10.953 12.499 1.00 61.12 H new ATOM 0 HA LEU A 19 -17.304 8.418 13.747 1.00 75.31 H new ATOM 0 HB2 LEU A 19 -18.908 10.336 13.682 1.00 51.42 H new ATOM 0 HB3 LEU A 19 -19.136 10.050 11.968 1.00 51.42 H new ATOM 0 HG LEU A 19 -20.978 9.240 13.429 1.00 52.10 H new ATOM 0 HD11 LEU A 19 -21.309 7.067 12.337 1.00 53.40 H new ATOM 0 HD12 LEU A 19 -20.755 8.324 11.206 1.00 53.40 H new ATOM 0 HD13 LEU A 19 -19.614 7.093 11.797 1.00 53.40 H new ATOM 0 HD21 LEU A 19 -20.666 7.113 14.680 1.00 75.51 H new ATOM 0 HD22 LEU A 19 -18.927 7.170 14.310 1.00 75.51 H new ATOM 0 HD23 LEU A 19 -19.661 8.429 15.330 1.00 75.51 H new ATOM 91 N ASP A 20 -17.143 8.555 10.483 1.00 0.44 N ATOM 92 CA ASP A 20 -16.966 7.757 9.286 1.00 41.33 C ATOM 93 C ASP A 20 -15.733 6.919 9.367 1.00 40.31 C ATOM 94 O ASP A 20 -15.786 5.701 9.154 1.00 40.12 O ATOM 95 CB ASP A 20 -16.929 8.624 8.027 1.00 0.41 C ATOM 96 CG ASP A 20 -18.267 8.749 7.356 1.00 43.51 C ATOM 97 OD1 ASP A 20 -18.399 8.271 6.210 1.00 73.34 O ATOM 98 OD2 ASP A 20 -19.227 9.286 7.965 1.00 15.40 O ATOM 0 H ASP A 20 -17.123 9.562 10.322 1.00 0.44 H new ATOM 0 HA ASP A 20 -17.830 7.096 9.219 1.00 41.33 H new ATOM 0 HB2 ASP A 20 -16.567 9.618 8.289 1.00 0.41 H new ATOM 0 HB3 ASP A 20 -16.214 8.199 7.322 1.00 0.41 H new ATOM 103 N VAL A 21 -14.630 7.540 9.737 1.00 61.44 N ATOM 104 CA VAL A 21 -13.376 6.841 9.783 1.00 43.14 C ATOM 105 C VAL A 21 -13.323 5.802 10.909 1.00 3.33 C ATOM 106 O VAL A 21 -12.817 4.708 10.704 1.00 3.02 O ATOM 107 CB VAL A 21 -12.130 7.783 9.804 1.00 64.41 C ATOM 108 CG1 VAL A 21 -12.112 8.680 11.020 1.00 61.55 C ATOM 109 CG2 VAL A 21 -10.841 6.983 9.702 1.00 61.32 C ATOM 0 H VAL A 21 -14.584 8.522 10.008 1.00 61.44 H new ATOM 0 HA VAL A 21 -13.322 6.298 8.839 1.00 43.14 H new ATOM 0 HB VAL A 21 -12.205 8.430 8.930 1.00 64.41 H new ATOM 0 HG11 VAL A 21 -11.227 9.316 10.990 1.00 61.55 H new ATOM 0 HG12 VAL A 21 -13.007 9.303 11.026 1.00 61.55 H new ATOM 0 HG13 VAL A 21 -12.089 8.069 11.922 1.00 61.55 H new ATOM 0 HG21 VAL A 21 -9.989 7.662 9.719 1.00 61.32 H new ATOM 0 HG22 VAL A 21 -10.773 6.294 10.544 1.00 61.32 H new ATOM 0 HG23 VAL A 21 -10.836 6.418 8.770 1.00 61.32 H new ATOM 119 N LYS A 22 -13.883 6.107 12.075 1.00 15.45 N ATOM 120 CA LYS A 22 -13.850 5.131 13.151 1.00 65.34 C ATOM 121 C LYS A 22 -14.866 4.030 12.892 1.00 14.21 C ATOM 122 O LYS A 22 -14.700 2.912 13.353 1.00 65.32 O ATOM 123 CB LYS A 22 -14.058 5.752 14.545 1.00 1.41 C ATOM 124 CG LYS A 22 -15.443 6.338 14.789 1.00 45.25 C ATOM 125 CD LYS A 22 -15.592 6.896 16.198 1.00 4.52 C ATOM 126 CE LYS A 22 -15.420 5.816 17.261 1.00 65.55 C ATOM 127 NZ LYS A 22 -15.684 6.329 18.619 1.00 52.20 N ATOM 0 H LYS A 22 -14.348 6.988 12.293 1.00 15.45 H new ATOM 0 HA LYS A 22 -12.847 4.705 13.158 1.00 65.34 H new ATOM 0 HB2 LYS A 22 -13.865 4.989 15.299 1.00 1.41 H new ATOM 0 HB3 LYS A 22 -13.317 6.538 14.690 1.00 1.41 H new ATOM 0 HG2 LYS A 22 -15.633 7.130 14.065 1.00 45.25 H new ATOM 0 HG3 LYS A 22 -16.196 5.567 14.624 1.00 45.25 H new ATOM 0 HD2 LYS A 22 -14.854 7.682 16.357 1.00 4.52 H new ATOM 0 HD3 LYS A 22 -16.575 7.356 16.304 1.00 4.52 H new ATOM 0 HE2 LYS A 22 -16.096 4.988 17.049 1.00 65.55 H new ATOM 0 HE3 LYS A 22 -14.406 5.420 17.214 1.00 65.55 H new ATOM 0 HZ1 LYS A 22 -15.556 5.563 19.311 1.00 52.20 H new ATOM 0 HZ2 LYS A 22 -15.022 7.102 18.833 1.00 52.20 H new ATOM 0 HZ3 LYS A 22 -16.660 6.684 18.672 1.00 52.20 H new ATOM 141 N GLY A 23 -15.909 4.351 12.141 1.00 1.31 N ATOM 142 CA GLY A 23 -16.904 3.372 11.816 1.00 1.43 C ATOM 143 C GLY A 23 -16.377 2.365 10.836 1.00 33.03 C ATOM 144 O GLY A 23 -16.302 1.156 11.141 1.00 71.11 O ATOM 0 H GLY A 23 -16.077 5.279 11.753 1.00 1.31 H new ATOM 0 HA2 GLY A 23 -17.228 2.864 12.724 1.00 1.43 H new ATOM 0 HA3 GLY A 23 -17.781 3.866 11.397 1.00 1.43 H new ATOM 148 N LEU A 24 -15.930 2.859 9.685 1.00 23.43 N ATOM 149 CA LEU A 24 -15.437 1.987 8.643 1.00 65.13 C ATOM 150 C LEU A 24 -14.140 1.354 9.104 1.00 31.14 C ATOM 151 O LEU A 24 -13.896 0.210 8.839 1.00 52.32 O ATOM 152 CB LEU A 24 -15.266 2.755 7.294 1.00 22.20 C ATOM 153 CG LEU A 24 -14.035 3.685 7.143 1.00 64.12 C ATOM 154 CD1 LEU A 24 -12.818 2.946 6.573 1.00 23.41 C ATOM 155 CD2 LEU A 24 -14.365 4.919 6.320 1.00 24.34 C ATOM 0 H LEU A 24 -15.902 3.853 9.458 1.00 23.43 H new ATOM 0 HA LEU A 24 -16.165 1.198 8.455 1.00 65.13 H new ATOM 0 HB2 LEU A 24 -15.230 2.018 6.491 1.00 22.20 H new ATOM 0 HB3 LEU A 24 -16.161 3.356 7.135 1.00 22.20 H new ATOM 0 HG LEU A 24 -13.767 4.017 8.146 1.00 64.12 H new ATOM 0 HD11 LEU A 24 -11.980 3.638 6.485 1.00 23.41 H new ATOM 0 HD12 LEU A 24 -12.544 2.128 7.239 1.00 23.41 H new ATOM 0 HD13 LEU A 24 -13.063 2.546 5.589 1.00 23.41 H new ATOM 0 HD21 LEU A 24 -13.479 5.548 6.235 1.00 24.34 H new ATOM 0 HD22 LEU A 24 -14.692 4.616 5.325 1.00 24.34 H new ATOM 0 HD23 LEU A 24 -15.162 5.480 6.808 1.00 24.34 H new ATOM 167 N GLY A 25 -13.340 2.122 9.846 1.00 70.34 N ATOM 168 CA GLY A 25 -12.074 1.649 10.350 1.00 21.41 C ATOM 169 C GLY A 25 -12.242 0.516 11.321 1.00 41.43 C ATOM 170 O GLY A 25 -11.524 -0.477 11.238 1.00 12.04 O ATOM 0 H GLY A 25 -13.561 3.083 10.107 1.00 70.34 H new ATOM 0 HA2 GLY A 25 -11.451 1.323 9.517 1.00 21.41 H new ATOM 0 HA3 GLY A 25 -11.549 2.470 10.838 1.00 21.41 H new ATOM 174 N TYR A 26 -13.208 0.645 12.227 1.00 61.31 N ATOM 175 CA TYR A 26 -13.481 -0.406 13.190 1.00 61.40 C ATOM 176 C TYR A 26 -13.948 -1.650 12.470 1.00 71.21 C ATOM 177 O TYR A 26 -13.445 -2.742 12.724 1.00 72.31 O ATOM 178 CB TYR A 26 -14.533 0.046 14.226 1.00 31.53 C ATOM 179 CG TYR A 26 -14.893 -0.986 15.285 1.00 30.31 C ATOM 180 CD1 TYR A 26 -15.914 -1.908 15.072 1.00 32.32 C ATOM 181 CD2 TYR A 26 -14.220 -1.030 16.494 1.00 2.13 C ATOM 182 CE1 TYR A 26 -16.247 -2.840 16.028 1.00 3.40 C ATOM 183 CE2 TYR A 26 -14.549 -1.963 17.457 1.00 33.21 C ATOM 184 CZ TYR A 26 -15.563 -2.863 17.218 1.00 54.13 C ATOM 185 OH TYR A 26 -15.888 -3.796 18.175 1.00 63.41 O ATOM 0 H TYR A 26 -13.809 1.465 12.311 1.00 61.31 H new ATOM 0 HA TYR A 26 -12.560 -0.628 13.729 1.00 61.40 H new ATOM 0 HB2 TYR A 26 -14.164 0.941 14.726 1.00 31.53 H new ATOM 0 HB3 TYR A 26 -15.442 0.329 13.695 1.00 31.53 H new ATOM 0 HD1 TYR A 26 -16.456 -1.891 14.138 1.00 32.32 H new ATOM 0 HD2 TYR A 26 -13.426 -0.324 16.687 1.00 2.13 H new ATOM 0 HE1 TYR A 26 -17.041 -3.548 15.843 1.00 3.40 H new ATOM 0 HE2 TYR A 26 -14.013 -1.987 18.394 1.00 33.21 H new ATOM 0 HH TYR A 26 -15.309 -3.678 18.957 1.00 63.41 H new ATOM 195 N ASP A 27 -14.880 -1.471 11.541 1.00 21.13 N ATOM 196 CA ASP A 27 -15.460 -2.595 10.809 1.00 71.22 C ATOM 197 C ASP A 27 -14.395 -3.270 9.946 1.00 21.43 C ATOM 198 O ASP A 27 -14.292 -4.509 9.911 1.00 31.34 O ATOM 199 CB ASP A 27 -16.647 -2.121 9.956 1.00 43.00 C ATOM 200 CG ASP A 27 -17.492 -3.256 9.414 1.00 62.11 C ATOM 201 OD1 ASP A 27 -17.148 -3.840 8.380 1.00 25.54 O ATOM 202 OD2 ASP A 27 -18.553 -3.569 10.020 1.00 71.24 O ATOM 0 H ASP A 27 -15.251 -0.559 11.276 1.00 21.13 H new ATOM 0 HA ASP A 27 -15.831 -3.329 11.524 1.00 71.22 H new ATOM 0 HB2 ASP A 27 -17.277 -1.464 10.556 1.00 43.00 H new ATOM 0 HB3 ASP A 27 -16.271 -1.528 9.122 1.00 43.00 H new ATOM 207 N PHE A 28 -13.562 -2.444 9.316 1.00 74.42 N ATOM 208 CA PHE A 28 -12.460 -2.892 8.483 1.00 44.13 C ATOM 209 C PHE A 28 -11.448 -3.671 9.312 1.00 4.54 C ATOM 210 O PHE A 28 -11.128 -4.810 9.000 1.00 4.00 O ATOM 211 CB PHE A 28 -11.823 -1.652 7.821 1.00 14.43 C ATOM 212 CG PHE A 28 -10.502 -1.820 7.127 1.00 70.34 C ATOM 213 CD1 PHE A 28 -9.335 -1.711 7.847 1.00 3.41 C ATOM 214 CD2 PHE A 28 -10.419 -2.026 5.759 1.00 12.01 C ATOM 215 CE1 PHE A 28 -8.117 -1.810 7.236 1.00 23.14 C ATOM 216 CE2 PHE A 28 -9.189 -2.129 5.141 1.00 12.54 C ATOM 217 CZ PHE A 28 -8.041 -2.019 5.880 1.00 41.21 C ATOM 0 H PHE A 28 -13.640 -1.429 9.374 1.00 74.42 H new ATOM 0 HA PHE A 28 -12.819 -3.568 7.707 1.00 44.13 H new ATOM 0 HB2 PHE A 28 -12.534 -1.260 7.094 1.00 14.43 H new ATOM 0 HB3 PHE A 28 -11.701 -0.889 8.590 1.00 14.43 H new ATOM 0 HD1 PHE A 28 -9.382 -1.544 8.913 1.00 3.41 H new ATOM 0 HD2 PHE A 28 -11.322 -2.106 5.173 1.00 12.01 H new ATOM 0 HE1 PHE A 28 -7.212 -1.724 7.820 1.00 23.14 H new ATOM 0 HE2 PHE A 28 -9.132 -2.296 4.076 1.00 12.54 H new ATOM 0 HZ PHE A 28 -7.078 -2.096 5.398 1.00 41.21 H new ATOM 227 N ILE A 29 -10.982 -3.073 10.388 1.00 30.30 N ATOM 228 CA ILE A 29 -9.987 -3.703 11.223 1.00 73.33 C ATOM 229 C ILE A 29 -10.519 -4.969 11.871 1.00 35.20 C ATOM 230 O ILE A 29 -9.787 -5.960 12.000 1.00 31.25 O ATOM 231 CB ILE A 29 -9.374 -2.707 12.249 1.00 74.43 C ATOM 232 CG1 ILE A 29 -8.397 -1.747 11.550 1.00 42.51 C ATOM 233 CG2 ILE A 29 -8.695 -3.400 13.434 1.00 23.15 C ATOM 234 CD1 ILE A 29 -7.253 -2.448 10.828 1.00 64.52 C ATOM 0 H ILE A 29 -11.278 -2.149 10.704 1.00 30.30 H new ATOM 0 HA ILE A 29 -9.165 -4.012 10.577 1.00 73.33 H new ATOM 0 HB ILE A 29 -10.206 -2.138 12.663 1.00 74.43 H new ATOM 0 HG12 ILE A 29 -8.950 -1.141 10.832 1.00 42.51 H new ATOM 0 HG13 ILE A 29 -7.982 -1.064 12.291 1.00 42.51 H new ATOM 0 HG21 ILE A 29 -8.289 -2.648 14.111 1.00 23.15 H new ATOM 0 HG22 ILE A 29 -9.425 -4.011 13.965 1.00 23.15 H new ATOM 0 HG23 ILE A 29 -7.887 -4.035 13.070 1.00 23.15 H new ATOM 0 HD11 ILE A 29 -6.608 -1.704 10.361 1.00 64.52 H new ATOM 0 HD12 ILE A 29 -6.674 -3.032 11.544 1.00 64.52 H new ATOM 0 HD13 ILE A 29 -7.657 -3.110 10.062 1.00 64.52 H new ATOM 246 N ASP A 30 -11.796 -4.962 12.210 1.00 12.50 N ATOM 247 CA ASP A 30 -12.428 -6.136 12.773 1.00 62.14 C ATOM 248 C ASP A 30 -12.415 -7.263 11.772 1.00 1.22 C ATOM 249 O ASP A 30 -11.943 -8.348 12.080 1.00 64.14 O ATOM 250 CB ASP A 30 -13.859 -5.845 13.236 1.00 72.24 C ATOM 251 CG ASP A 30 -14.563 -7.071 13.779 1.00 4.43 C ATOM 252 OD1 ASP A 30 -14.308 -7.449 14.948 1.00 34.34 O ATOM 253 OD2 ASP A 30 -15.395 -7.671 13.062 1.00 33.40 O ATOM 0 H ASP A 30 -12.413 -4.156 12.104 1.00 12.50 H new ATOM 0 HA ASP A 30 -11.856 -6.433 13.652 1.00 62.14 H new ATOM 0 HB2 ASP A 30 -13.837 -5.074 14.006 1.00 72.24 H new ATOM 0 HB3 ASP A 30 -14.432 -5.444 12.400 1.00 72.24 H new ATOM 258 N LEU A 31 -12.825 -6.989 10.543 1.00 62.51 N ATOM 259 CA LEU A 31 -12.898 -8.035 9.549 1.00 30.15 C ATOM 260 C LEU A 31 -11.508 -8.537 9.147 1.00 45.52 C ATOM 261 O LEU A 31 -11.341 -9.700 8.814 1.00 4.42 O ATOM 262 CB LEU A 31 -13.789 -7.634 8.353 1.00 24.15 C ATOM 263 CG LEU A 31 -13.389 -6.410 7.521 1.00 62.03 C ATOM 264 CD1 LEU A 31 -12.252 -6.721 6.580 1.00 20.30 C ATOM 265 CD2 LEU A 31 -14.576 -5.854 6.768 1.00 40.23 C ATOM 0 H LEU A 31 -13.107 -6.064 10.218 1.00 62.51 H new ATOM 0 HA LEU A 31 -13.396 -8.891 10.004 1.00 30.15 H new ATOM 0 HB2 LEU A 31 -13.844 -8.489 7.679 1.00 24.15 H new ATOM 0 HB3 LEU A 31 -14.796 -7.462 8.733 1.00 24.15 H new ATOM 0 HG LEU A 31 -13.039 -5.647 8.216 1.00 62.03 H new ATOM 0 HD11 LEU A 31 -11.998 -5.828 6.008 1.00 20.30 H new ATOM 0 HD12 LEU A 31 -11.383 -7.044 7.153 1.00 20.30 H new ATOM 0 HD13 LEU A 31 -12.552 -7.516 5.897 1.00 20.30 H new ATOM 0 HD21 LEU A 31 -14.264 -4.987 6.186 1.00 40.23 H new ATOM 0 HD22 LEU A 31 -14.972 -6.617 6.098 1.00 40.23 H new ATOM 0 HD23 LEU A 31 -15.349 -5.557 7.476 1.00 40.23 H new ATOM 277 N VAL A 32 -10.510 -7.658 9.227 1.00 24.33 N ATOM 278 CA VAL A 32 -9.138 -8.037 8.959 1.00 2.14 C ATOM 279 C VAL A 32 -8.625 -9.008 10.051 1.00 24.14 C ATOM 280 O VAL A 32 -7.820 -9.910 9.787 1.00 71.40 O ATOM 281 CB VAL A 32 -8.219 -6.769 8.859 1.00 34.24 C ATOM 282 CG1 VAL A 32 -6.738 -7.135 8.819 1.00 51.34 C ATOM 283 CG2 VAL A 32 -8.563 -5.970 7.608 1.00 54.11 C ATOM 0 H VAL A 32 -10.635 -6.677 9.477 1.00 24.33 H new ATOM 0 HA VAL A 32 -9.103 -8.551 7.999 1.00 2.14 H new ATOM 0 HB VAL A 32 -8.400 -6.172 9.753 1.00 34.24 H new ATOM 0 HG11 VAL A 32 -6.140 -6.226 8.750 1.00 51.34 H new ATOM 0 HG12 VAL A 32 -6.472 -7.676 9.727 1.00 51.34 H new ATOM 0 HG13 VAL A 32 -6.542 -7.765 7.951 1.00 51.34 H new ATOM 0 HG21 VAL A 32 -7.919 -5.092 7.548 1.00 54.11 H new ATOM 0 HG22 VAL A 32 -8.411 -6.592 6.726 1.00 54.11 H new ATOM 0 HG23 VAL A 32 -9.605 -5.653 7.654 1.00 54.11 H new ATOM 293 N THR A 33 -9.169 -8.890 11.245 1.00 34.34 N ATOM 294 CA THR A 33 -8.696 -9.677 12.364 1.00 23.43 C ATOM 295 C THR A 33 -9.736 -10.719 12.764 1.00 21.05 C ATOM 296 O THR A 33 -9.640 -11.348 13.819 1.00 21.52 O ATOM 297 CB THR A 33 -8.383 -8.745 13.555 1.00 13.23 C ATOM 298 OG1 THR A 33 -9.521 -7.900 13.820 1.00 30.41 O ATOM 299 CG2 THR A 33 -7.175 -7.875 13.257 1.00 13.34 C ATOM 0 H THR A 33 -9.938 -8.257 11.465 1.00 34.34 H new ATOM 0 HA THR A 33 -7.786 -10.201 12.070 1.00 23.43 H new ATOM 0 HB THR A 33 -8.165 -9.363 14.426 1.00 13.23 H new ATOM 0 HG1 THR A 33 -9.403 -7.040 13.366 1.00 30.41 H new ATOM 0 HG21 THR A 33 -6.974 -7.227 14.110 1.00 13.34 H new ATOM 0 HG22 THR A 33 -6.308 -8.508 13.070 1.00 13.34 H new ATOM 0 HG23 THR A 33 -7.375 -7.264 12.377 1.00 13.34 H new ATOM 307 N LYS A 34 -10.707 -10.897 11.881 1.00 34.42 N ATOM 308 CA LYS A 34 -11.860 -11.760 12.083 1.00 74.00 C ATOM 309 C LYS A 34 -11.449 -13.199 12.387 1.00 20.02 C ATOM 310 O LYS A 34 -10.484 -13.719 11.814 1.00 70.32 O ATOM 311 CB LYS A 34 -12.746 -11.712 10.833 1.00 73.25 C ATOM 312 CG LYS A 34 -14.232 -11.941 11.074 1.00 32.35 C ATOM 313 CD LYS A 34 -14.800 -10.875 12.012 1.00 50.34 C ATOM 314 CE LYS A 34 -16.313 -10.889 12.036 1.00 72.22 C ATOM 315 NZ LYS A 34 -16.858 -9.933 13.022 1.00 74.31 N ATOM 0 H LYS A 34 -10.714 -10.429 10.975 1.00 34.42 H new ATOM 0 HA LYS A 34 -12.414 -11.396 12.948 1.00 74.00 H new ATOM 0 HB2 LYS A 34 -12.619 -10.740 10.356 1.00 73.25 H new ATOM 0 HB3 LYS A 34 -12.390 -12.463 10.128 1.00 73.25 H new ATOM 0 HG2 LYS A 34 -14.767 -11.919 10.124 1.00 32.35 H new ATOM 0 HG3 LYS A 34 -14.387 -12.930 11.504 1.00 32.35 H new ATOM 0 HD2 LYS A 34 -14.420 -11.040 13.020 1.00 50.34 H new ATOM 0 HD3 LYS A 34 -14.451 -9.892 11.697 1.00 50.34 H new ATOM 0 HE2 LYS A 34 -16.694 -10.644 11.044 1.00 72.22 H new ATOM 0 HE3 LYS A 34 -16.663 -11.894 12.273 1.00 72.22 H new ATOM 0 HZ1 LYS A 34 -17.881 -9.822 12.870 1.00 74.31 H new ATOM 0 HZ2 LYS A 34 -16.688 -10.291 13.983 1.00 74.31 H new ATOM 0 HZ3 LYS A 34 -16.389 -9.012 12.908 1.00 74.31 H new ATOM 329 N SER A 35 -12.172 -13.808 13.306 1.00 11.00 N ATOM 330 CA SER A 35 -11.970 -15.173 13.722 1.00 21.33 C ATOM 331 C SER A 35 -12.082 -16.149 12.522 1.00 4.13 C ATOM 332 O SER A 35 -12.791 -15.857 11.537 1.00 43.55 O ATOM 333 CB SER A 35 -13.061 -15.512 14.750 1.00 0.31 C ATOM 334 OG SER A 35 -13.126 -14.529 15.774 1.00 41.50 O ATOM 0 H SER A 35 -12.939 -13.348 13.796 1.00 11.00 H new ATOM 0 HA SER A 35 -10.972 -15.278 14.148 1.00 21.33 H new ATOM 0 HB2 SER A 35 -14.027 -15.583 14.249 1.00 0.31 H new ATOM 0 HB3 SER A 35 -12.858 -16.488 15.191 1.00 0.31 H new ATOM 0 HG SER A 35 -13.829 -14.768 16.413 1.00 41.50 H new ATOM 340 N PRO A 36 -11.431 -17.350 12.623 1.00 65.22 N ATOM 341 CA PRO A 36 -11.468 -18.433 11.588 1.00 72.11 C ATOM 342 C PRO A 36 -12.894 -18.954 11.345 1.00 3.43 C ATOM 343 O PRO A 36 -13.136 -19.842 10.519 1.00 41.33 O ATOM 344 CB PRO A 36 -10.577 -19.537 12.175 1.00 70.21 C ATOM 345 CG PRO A 36 -10.502 -19.239 13.628 1.00 61.31 C ATOM 346 CD PRO A 36 -10.570 -17.745 13.750 1.00 3.31 C ATOM 0 HA PRO A 36 -11.126 -18.077 10.616 1.00 72.11 H new ATOM 0 HB2 PRO A 36 -11.003 -20.524 11.996 1.00 70.21 H new ATOM 0 HB3 PRO A 36 -9.587 -19.529 11.719 1.00 70.21 H new ATOM 0 HG2 PRO A 36 -11.324 -19.712 14.166 1.00 61.31 H new ATOM 0 HG3 PRO A 36 -9.577 -19.623 14.058 1.00 61.31 H new ATOM 0 HD2 PRO A 36 -10.994 -17.439 14.706 1.00 3.31 H new ATOM 0 HD3 PRO A 36 -9.582 -17.291 13.679 1.00 3.31 H new ATOM 354 N ASP A 37 -13.798 -18.461 12.157 1.00 33.10 N ATOM 355 CA ASP A 37 -15.229 -18.675 12.030 1.00 54.31 C ATOM 356 C ASP A 37 -15.739 -18.145 10.672 1.00 40.35 C ATOM 357 O ASP A 37 -16.731 -18.632 10.134 1.00 64.44 O ATOM 358 CB ASP A 37 -15.945 -17.971 13.181 1.00 23.25 C ATOM 359 CG ASP A 37 -17.445 -18.010 13.068 1.00 42.23 C ATOM 360 OD1 ASP A 37 -18.039 -19.119 13.153 1.00 54.34 O ATOM 361 OD2 ASP A 37 -18.063 -16.930 12.932 1.00 62.23 O ATOM 0 H ASP A 37 -13.553 -17.877 12.956 1.00 33.10 H new ATOM 0 HA ASP A 37 -15.438 -19.744 12.073 1.00 54.31 H new ATOM 0 HB2 ASP A 37 -15.647 -18.435 14.121 1.00 23.25 H new ATOM 0 HB3 ASP A 37 -15.618 -16.932 13.220 1.00 23.25 H new ATOM 366 N SER A 38 -15.036 -17.171 10.128 1.00 43.33 N ATOM 367 CA SER A 38 -15.327 -16.647 8.809 1.00 72.43 C ATOM 368 C SER A 38 -14.463 -17.428 7.804 1.00 23.54 C ATOM 369 O SER A 38 -13.539 -18.147 8.229 1.00 70.54 O ATOM 370 CB SER A 38 -14.984 -15.148 8.770 1.00 70.21 C ATOM 371 OG SER A 38 -13.614 -14.923 9.123 1.00 1.30 O ATOM 0 H SER A 38 -14.246 -16.720 10.589 1.00 43.33 H new ATOM 0 HA SER A 38 -16.382 -16.760 8.561 1.00 72.43 H new ATOM 0 HB2 SER A 38 -15.175 -14.754 7.772 1.00 70.21 H new ATOM 0 HB3 SER A 38 -15.634 -14.605 9.457 1.00 70.21 H new ATOM 0 HG SER A 38 -13.473 -15.170 10.061 1.00 1.30 H new ATOM 377 N VAL A 39 -14.720 -17.311 6.511 1.00 44.33 N ATOM 378 CA VAL A 39 -13.897 -18.048 5.560 1.00 1.15 C ATOM 379 C VAL A 39 -12.485 -17.464 5.484 1.00 12.55 C ATOM 380 O VAL A 39 -11.499 -18.198 5.590 1.00 45.42 O ATOM 381 CB VAL A 39 -14.532 -18.192 4.131 1.00 2.15 C ATOM 382 CG1 VAL A 39 -14.820 -16.853 3.479 1.00 74.53 C ATOM 383 CG2 VAL A 39 -13.637 -19.035 3.232 1.00 73.40 C ATOM 0 H VAL A 39 -15.460 -16.738 6.105 1.00 44.33 H new ATOM 0 HA VAL A 39 -13.838 -19.063 5.952 1.00 1.15 H new ATOM 0 HB VAL A 39 -15.490 -18.695 4.262 1.00 2.15 H new ATOM 0 HG11 VAL A 39 -15.258 -17.015 2.494 1.00 74.53 H new ATOM 0 HG12 VAL A 39 -15.518 -16.289 4.098 1.00 74.53 H new ATOM 0 HG13 VAL A 39 -13.892 -16.291 3.376 1.00 74.53 H new ATOM 0 HG21 VAL A 39 -14.093 -19.124 2.246 1.00 73.40 H new ATOM 0 HG22 VAL A 39 -12.661 -18.558 3.139 1.00 73.40 H new ATOM 0 HG23 VAL A 39 -13.516 -20.027 3.667 1.00 73.40 H new ATOM 393 N ASN A 40 -12.393 -16.149 5.372 1.00 43.15 N ATOM 394 CA ASN A 40 -11.114 -15.491 5.255 1.00 44.11 C ATOM 395 C ASN A 40 -11.325 -14.003 5.442 1.00 64.02 C ATOM 396 O ASN A 40 -12.316 -13.460 4.942 1.00 35.11 O ATOM 397 CB ASN A 40 -10.519 -15.744 3.868 1.00 73.51 C ATOM 398 CG ASN A 40 -9.042 -15.457 3.820 1.00 73.23 C ATOM 399 OD1 ASN A 40 -8.618 -14.333 3.606 1.00 1.40 O ATOM 400 ND2 ASN A 40 -8.255 -16.483 3.973 1.00 2.21 N ATOM 0 H ASN A 40 -13.195 -15.519 5.360 1.00 43.15 H new ATOM 0 HA ASN A 40 -10.430 -15.879 6.009 1.00 44.11 H new ATOM 0 HB2 ASN A 40 -10.695 -16.781 3.583 1.00 73.51 H new ATOM 0 HB3 ASN A 40 -11.032 -15.121 3.136 1.00 73.51 H new ATOM 0 HD21 ASN A 40 -7.244 -16.363 3.915 1.00 2.21 H new ATOM 0 HD22 ASN A 40 -8.650 -17.407 4.151 1.00 2.21 H new ATOM 407 N SER A 41 -10.403 -13.349 6.116 1.00 11.51 N ATOM 408 CA SER A 41 -10.492 -11.923 6.414 1.00 64.43 C ATOM 409 C SER A 41 -10.646 -11.103 5.134 1.00 3.12 C ATOM 410 O SER A 41 -11.496 -10.203 5.043 1.00 72.45 O ATOM 411 CB SER A 41 -9.223 -11.497 7.133 1.00 22.05 C ATOM 412 OG SER A 41 -8.982 -12.312 8.280 1.00 71.44 O ATOM 0 H SER A 41 -9.559 -13.791 6.479 1.00 11.51 H new ATOM 0 HA SER A 41 -11.367 -11.747 7.040 1.00 64.43 H new ATOM 0 HB2 SER A 41 -8.375 -11.564 6.451 1.00 22.05 H new ATOM 0 HB3 SER A 41 -9.306 -10.453 7.436 1.00 22.05 H new ATOM 0 HG SER A 41 -8.562 -11.773 8.982 1.00 71.44 H new ATOM 418 N GLU A 42 -9.895 -11.498 4.128 1.00 22.00 N ATOM 419 CA GLU A 42 -9.842 -10.804 2.870 1.00 22.20 C ATOM 420 C GLU A 42 -11.169 -10.915 2.115 1.00 41.24 C ATOM 421 O GLU A 42 -11.462 -10.112 1.242 1.00 45.15 O ATOM 422 CB GLU A 42 -8.691 -11.333 2.033 1.00 40.14 C ATOM 423 CG GLU A 42 -7.357 -11.343 2.761 1.00 24.44 C ATOM 424 CD GLU A 42 -6.995 -10.004 3.371 1.00 54.30 C ATOM 425 OE1 GLU A 42 -6.357 -9.186 2.689 1.00 1.05 O ATOM 426 OE2 GLU A 42 -7.349 -9.777 4.559 1.00 30.43 O ATOM 0 H GLU A 42 -9.297 -12.323 4.167 1.00 22.00 H new ATOM 0 HA GLU A 42 -9.671 -9.746 3.068 1.00 22.20 H new ATOM 0 HB2 GLU A 42 -8.925 -12.347 1.710 1.00 40.14 H new ATOM 0 HB3 GLU A 42 -8.599 -10.725 1.133 1.00 40.14 H new ATOM 0 HG2 GLU A 42 -7.387 -12.097 3.548 1.00 24.44 H new ATOM 0 HG3 GLU A 42 -6.573 -11.640 2.064 1.00 24.44 H new ATOM 433 N HIS A 43 -11.981 -11.910 2.471 1.00 1.34 N ATOM 434 CA HIS A 43 -13.281 -12.102 1.836 1.00 43.24 C ATOM 435 C HIS A 43 -14.194 -10.973 2.272 1.00 3.23 C ATOM 436 O HIS A 43 -14.823 -10.280 1.444 1.00 32.04 O ATOM 437 CB HIS A 43 -13.877 -13.449 2.269 1.00 4.12 C ATOM 438 CG HIS A 43 -15.181 -13.810 1.620 1.00 72.30 C ATOM 439 ND1 HIS A 43 -16.398 -13.750 2.261 1.00 52.34 N ATOM 440 CD2 HIS A 43 -15.430 -14.291 0.382 1.00 2.14 C ATOM 441 CE1 HIS A 43 -17.331 -14.194 1.416 1.00 40.34 C ATOM 442 NE2 HIS A 43 -16.790 -14.538 0.250 1.00 23.43 N ATOM 0 H HIS A 43 -11.760 -12.594 3.195 1.00 1.34 H new ATOM 0 HA HIS A 43 -13.173 -12.101 0.751 1.00 43.24 H new ATOM 0 HB2 HIS A 43 -13.153 -14.234 2.053 1.00 4.12 H new ATOM 0 HB3 HIS A 43 -14.019 -13.434 3.350 1.00 4.12 H new ATOM 0 HD1 HIS A 43 -16.558 -13.424 3.214 1.00 52.34 H new ATOM 0 HD2 HIS A 43 -14.688 -14.457 -0.385 1.00 2.14 H new ATOM 0 HE1 HIS A 43 -18.384 -14.265 1.648 1.00 40.34 H new ATOM 450 N GLU A 44 -14.198 -10.753 3.569 1.00 52.42 N ATOM 451 CA GLU A 44 -14.997 -9.751 4.188 1.00 74.04 C ATOM 452 C GLU A 44 -14.453 -8.391 3.796 1.00 74.52 C ATOM 453 O GLU A 44 -15.197 -7.433 3.638 1.00 60.44 O ATOM 454 CB GLU A 44 -14.919 -9.943 5.686 1.00 10.15 C ATOM 455 CG GLU A 44 -15.181 -11.379 6.122 1.00 3.32 C ATOM 456 CD GLU A 44 -16.564 -11.874 5.772 1.00 23.43 C ATOM 457 OE1 GLU A 44 -17.510 -11.611 6.541 1.00 42.23 O ATOM 458 OE2 GLU A 44 -16.726 -12.564 4.724 1.00 62.22 O ATOM 0 H GLU A 44 -13.628 -11.285 4.226 1.00 52.42 H new ATOM 0 HA GLU A 44 -16.037 -9.822 3.870 1.00 74.04 H new ATOM 0 HB2 GLU A 44 -13.932 -9.639 6.034 1.00 10.15 H new ATOM 0 HB3 GLU A 44 -15.643 -9.286 6.168 1.00 10.15 H new ATOM 0 HG2 GLU A 44 -14.442 -12.032 5.657 1.00 3.32 H new ATOM 0 HG3 GLU A 44 -15.039 -11.454 7.200 1.00 3.32 H new ATOM 465 N LEU A 45 -13.142 -8.334 3.602 1.00 33.55 N ATOM 466 CA LEU A 45 -12.482 -7.141 3.176 1.00 50.13 C ATOM 467 C LEU A 45 -12.898 -6.792 1.761 1.00 42.51 C ATOM 468 O LEU A 45 -13.231 -5.651 1.478 1.00 73.14 O ATOM 469 CB LEU A 45 -10.970 -7.297 3.275 1.00 33.54 C ATOM 470 CG LEU A 45 -10.166 -6.059 2.932 1.00 51.25 C ATOM 471 CD1 LEU A 45 -10.562 -4.913 3.826 1.00 1.42 C ATOM 472 CD2 LEU A 45 -8.678 -6.335 3.024 1.00 41.43 C ATOM 0 H LEU A 45 -12.517 -9.128 3.741 1.00 33.55 H new ATOM 0 HA LEU A 45 -12.778 -6.324 3.835 1.00 50.13 H new ATOM 0 HB2 LEU A 45 -10.719 -7.603 4.291 1.00 33.54 H new ATOM 0 HB3 LEU A 45 -10.661 -8.106 2.613 1.00 33.54 H new ATOM 0 HG LEU A 45 -10.386 -5.780 1.901 1.00 51.25 H new ATOM 0 HD11 LEU A 45 -9.976 -4.031 3.568 1.00 1.42 H new ATOM 0 HD12 LEU A 45 -11.622 -4.697 3.692 1.00 1.42 H new ATOM 0 HD13 LEU A 45 -10.375 -5.181 4.866 1.00 1.42 H new ATOM 0 HD21 LEU A 45 -8.124 -5.430 2.773 1.00 41.43 H new ATOM 0 HD22 LEU A 45 -8.427 -6.644 4.039 1.00 41.43 H new ATOM 0 HD23 LEU A 45 -8.411 -7.129 2.326 1.00 41.43 H new ATOM 484 N ALA A 46 -12.921 -7.790 0.888 1.00 30.33 N ATOM 485 CA ALA A 46 -13.358 -7.614 -0.491 1.00 44.44 C ATOM 486 C ALA A 46 -14.799 -7.146 -0.528 1.00 20.21 C ATOM 487 O ALA A 46 -15.189 -6.345 -1.376 1.00 13.02 O ATOM 488 CB ALA A 46 -13.196 -8.903 -1.281 1.00 50.10 C ATOM 0 H ALA A 46 -12.638 -8.743 1.115 1.00 30.33 H new ATOM 0 HA ALA A 46 -12.730 -6.853 -0.955 1.00 44.44 H new ATOM 0 HB1 ALA A 46 -13.529 -8.745 -2.307 1.00 50.10 H new ATOM 0 HB2 ALA A 46 -12.147 -9.200 -1.282 1.00 50.10 H new ATOM 0 HB3 ALA A 46 -13.795 -9.689 -0.822 1.00 50.10 H new ATOM 494 N HIS A 47 -15.568 -7.636 0.416 1.00 23.33 N ATOM 495 CA HIS A 47 -16.965 -7.259 0.559 1.00 23.24 C ATOM 496 C HIS A 47 -17.049 -5.800 1.020 1.00 52.13 C ATOM 497 O HIS A 47 -17.862 -5.027 0.521 1.00 2.31 O ATOM 498 CB HIS A 47 -17.664 -8.193 1.576 1.00 55.41 C ATOM 499 CG HIS A 47 -19.158 -8.004 1.712 1.00 50.04 C ATOM 500 ND1 HIS A 47 -20.092 -8.828 1.122 1.00 14.43 N ATOM 501 CD2 HIS A 47 -19.868 -7.076 2.406 1.00 4.03 C ATOM 502 CE1 HIS A 47 -21.307 -8.394 1.460 1.00 22.25 C ATOM 503 NE2 HIS A 47 -21.229 -7.323 2.245 1.00 70.25 N ATOM 0 H HIS A 47 -15.247 -8.310 1.111 1.00 23.33 H new ATOM 0 HA HIS A 47 -17.472 -7.359 -0.401 1.00 23.24 H new ATOM 0 HB2 HIS A 47 -17.471 -9.226 1.287 1.00 55.41 H new ATOM 0 HB3 HIS A 47 -17.206 -8.045 2.554 1.00 55.41 H new ATOM 0 HD2 HIS A 47 -19.443 -6.273 2.990 1.00 4.03 H new ATOM 0 HE1 HIS A 47 -22.231 -8.851 1.139 1.00 22.25 H new ATOM 0 HE2 HIS A 47 -22.004 -6.794 2.645 1.00 70.25 H new ATOM 511 N PHE A 48 -16.163 -5.432 1.926 1.00 14.23 N ATOM 512 CA PHE A 48 -16.119 -4.113 2.506 1.00 5.14 C ATOM 513 C PHE A 48 -15.695 -3.091 1.473 1.00 4.43 C ATOM 514 O PHE A 48 -16.271 -2.014 1.374 1.00 14.13 O ATOM 515 CB PHE A 48 -15.138 -4.127 3.688 1.00 42.14 C ATOM 516 CG PHE A 48 -14.834 -2.790 4.294 1.00 62.14 C ATOM 517 CD1 PHE A 48 -15.620 -2.271 5.299 1.00 33.34 C ATOM 518 CD2 PHE A 48 -13.746 -2.062 3.856 1.00 35.35 C ATOM 519 CE1 PHE A 48 -15.331 -1.044 5.858 1.00 11.53 C ATOM 520 CE2 PHE A 48 -13.449 -0.838 4.403 1.00 13.53 C ATOM 521 CZ PHE A 48 -14.242 -0.326 5.404 1.00 2.31 C ATOM 0 H PHE A 48 -15.441 -6.058 2.283 1.00 14.23 H new ATOM 0 HA PHE A 48 -17.112 -3.835 2.859 1.00 5.14 H new ATOM 0 HB2 PHE A 48 -15.543 -4.774 4.466 1.00 42.14 H new ATOM 0 HB3 PHE A 48 -14.202 -4.576 3.355 1.00 42.14 H new ATOM 0 HD1 PHE A 48 -16.472 -2.832 5.653 1.00 33.34 H new ATOM 0 HD2 PHE A 48 -13.119 -2.461 3.072 1.00 35.35 H new ATOM 0 HE1 PHE A 48 -15.953 -0.647 6.647 1.00 11.53 H new ATOM 0 HE2 PHE A 48 -12.596 -0.279 4.049 1.00 13.53 H new ATOM 0 HZ PHE A 48 -14.013 0.637 5.835 1.00 2.31 H new ATOM 531 N LEU A 49 -14.711 -3.446 0.690 1.00 54.41 N ATOM 532 CA LEU A 49 -14.174 -2.544 -0.284 1.00 31.31 C ATOM 533 C LEU A 49 -14.995 -2.580 -1.575 1.00 4.42 C ATOM 534 O LEU A 49 -14.675 -1.901 -2.522 1.00 62.40 O ATOM 535 CB LEU A 49 -12.679 -2.834 -0.517 1.00 61.51 C ATOM 536 CG LEU A 49 -12.333 -4.105 -1.286 1.00 13.41 C ATOM 537 CD1 LEU A 49 -12.253 -3.830 -2.767 1.00 63.12 C ATOM 538 CD2 LEU A 49 -11.064 -4.724 -0.765 1.00 21.42 C ATOM 0 H LEU A 49 -14.264 -4.363 0.712 1.00 54.41 H new ATOM 0 HA LEU A 49 -14.245 -1.525 0.097 1.00 31.31 H new ATOM 0 HB2 LEU A 49 -12.249 -1.987 -1.051 1.00 61.51 H new ATOM 0 HB3 LEU A 49 -12.187 -2.881 0.455 1.00 61.51 H new ATOM 0 HG LEU A 49 -13.134 -4.828 -1.129 1.00 13.41 H new ATOM 0 HD11 LEU A 49 -12.005 -4.751 -3.295 1.00 63.12 H new ATOM 0 HD12 LEU A 49 -13.214 -3.457 -3.120 1.00 63.12 H new ATOM 0 HD13 LEU A 49 -11.482 -3.084 -2.957 1.00 63.12 H new ATOM 0 HD21 LEU A 49 -10.841 -5.628 -1.331 1.00 21.42 H new ATOM 0 HD22 LEU A 49 -10.242 -4.016 -0.874 1.00 21.42 H new ATOM 0 HD23 LEU A 49 -11.188 -4.977 0.288 1.00 21.42 H new ATOM 550 N GLY A 50 -16.044 -3.395 -1.594 1.00 4.32 N ATOM 551 CA GLY A 50 -16.956 -3.435 -2.738 1.00 63.10 C ATOM 552 C GLY A 50 -17.500 -2.039 -3.066 1.00 34.30 C ATOM 553 O GLY A 50 -17.235 -1.512 -4.143 1.00 61.33 O ATOM 0 H GLY A 50 -16.285 -4.034 -0.837 1.00 4.32 H new ATOM 0 HA2 GLY A 50 -16.436 -3.838 -3.607 1.00 63.10 H new ATOM 0 HA3 GLY A 50 -17.785 -4.109 -2.522 1.00 63.10 H new ATOM 557 N PRO A 51 -18.234 -1.394 -2.131 1.00 10.33 N ATOM 558 CA PRO A 51 -18.718 -0.021 -2.307 1.00 40.02 C ATOM 559 C PRO A 51 -17.605 1.017 -2.080 1.00 43.34 C ATOM 560 O PRO A 51 -17.810 2.221 -2.254 1.00 64.13 O ATOM 561 CB PRO A 51 -19.800 0.138 -1.214 1.00 25.30 C ATOM 562 CG PRO A 51 -19.975 -1.216 -0.604 1.00 75.11 C ATOM 563 CD PRO A 51 -18.704 -1.961 -0.852 1.00 1.21 C ATOM 0 HA PRO A 51 -19.085 0.144 -3.320 1.00 40.02 H new ATOM 0 HB2 PRO A 51 -19.492 0.867 -0.464 1.00 25.30 H new ATOM 0 HB3 PRO A 51 -20.736 0.497 -1.642 1.00 25.30 H new ATOM 0 HG2 PRO A 51 -20.176 -1.137 0.464 1.00 75.11 H new ATOM 0 HG3 PRO A 51 -20.823 -1.736 -1.050 1.00 75.11 H new ATOM 0 HD2 PRO A 51 -17.981 -1.805 -0.051 1.00 1.21 H new ATOM 0 HD3 PRO A 51 -18.873 -3.035 -0.924 1.00 1.21 H new ATOM 571 N HIS A 52 -16.437 0.554 -1.668 1.00 53.34 N ATOM 572 CA HIS A 52 -15.343 1.438 -1.310 1.00 0.14 C ATOM 573 C HIS A 52 -14.140 1.135 -2.173 1.00 4.25 C ATOM 574 O HIS A 52 -13.012 1.246 -1.716 1.00 21.23 O ATOM 575 CB HIS A 52 -14.982 1.281 0.188 1.00 23.35 C ATOM 576 CG HIS A 52 -16.065 1.689 1.152 1.00 43.21 C ATOM 577 ND1 HIS A 52 -16.057 2.870 1.860 1.00 5.14 N ATOM 578 CD2 HIS A 52 -17.193 1.040 1.533 1.00 41.44 C ATOM 579 CE1 HIS A 52 -17.148 2.902 2.628 1.00 3.14 C ATOM 580 NE2 HIS A 52 -17.874 1.813 2.465 1.00 61.02 N ATOM 0 H HIS A 52 -16.222 -0.439 -1.573 1.00 53.34 H new ATOM 0 HA HIS A 52 -15.655 2.469 -1.479 1.00 0.14 H new ATOM 0 HB2 HIS A 52 -14.723 0.239 0.376 1.00 23.35 H new ATOM 0 HB3 HIS A 52 -14.091 1.873 0.395 1.00 23.35 H new ATOM 0 HD1 HIS A 52 -15.341 3.595 1.807 1.00 5.14 H new ATOM 0 HD2 HIS A 52 -17.512 0.074 1.169 1.00 41.44 H new ATOM 0 HE1 HIS A 52 -17.403 3.712 3.295 1.00 3.14 H new ATOM 588 N ASP A 53 -14.421 0.801 -3.443 1.00 63.41 N ATOM 589 CA ASP A 53 -13.413 0.416 -4.456 1.00 13.25 C ATOM 590 C ASP A 53 -12.346 1.478 -4.623 1.00 53.13 C ATOM 591 O ASP A 53 -12.602 2.556 -5.155 1.00 33.34 O ATOM 592 CB ASP A 53 -14.106 0.154 -5.821 1.00 34.11 C ATOM 593 CG ASP A 53 -13.138 -0.070 -6.997 1.00 10.23 C ATOM 594 OD1 ASP A 53 -12.900 0.885 -7.797 1.00 40.35 O ATOM 595 OD2 ASP A 53 -12.646 -1.193 -7.185 1.00 64.00 O ATOM 0 H ASP A 53 -15.374 0.789 -3.806 1.00 63.41 H new ATOM 0 HA ASP A 53 -12.927 -0.495 -4.106 1.00 13.25 H new ATOM 0 HB2 ASP A 53 -14.750 -0.721 -5.725 1.00 34.11 H new ATOM 0 HB3 ASP A 53 -14.751 1.001 -6.055 1.00 34.11 H new ATOM 600 N PRO A 54 -11.150 1.217 -4.118 1.00 32.41 N ATOM 601 CA PRO A 54 -10.049 2.107 -4.253 1.00 72.34 C ATOM 602 C PRO A 54 -9.138 1.639 -5.374 1.00 43.01 C ATOM 603 O PRO A 54 -9.420 0.642 -6.059 1.00 23.54 O ATOM 604 CB PRO A 54 -9.350 1.940 -2.903 1.00 72.53 C ATOM 605 CG PRO A 54 -9.578 0.501 -2.528 1.00 34.53 C ATOM 606 CD PRO A 54 -10.769 0.020 -3.334 1.00 0.35 C ATOM 0 HA PRO A 54 -10.327 3.134 -4.489 1.00 72.34 H new ATOM 0 HB2 PRO A 54 -8.286 2.166 -2.978 1.00 72.53 H new ATOM 0 HB3 PRO A 54 -9.767 2.615 -2.155 1.00 72.53 H new ATOM 0 HG2 PRO A 54 -8.695 -0.100 -2.747 1.00 34.53 H new ATOM 0 HG3 PRO A 54 -9.771 0.406 -1.459 1.00 34.53 H new ATOM 0 HD2 PRO A 54 -10.507 -0.818 -3.980 1.00 0.35 H new ATOM 0 HD3 PRO A 54 -11.582 -0.316 -2.690 1.00 0.35 H new ATOM 614 N GLU A 55 -8.065 2.328 -5.574 1.00 72.54 N ATOM 615 CA GLU A 55 -7.110 1.891 -6.521 1.00 61.32 C ATOM 616 C GLU A 55 -6.230 0.901 -5.837 1.00 23.11 C ATOM 617 O GLU A 55 -5.463 1.253 -4.948 1.00 25.13 O ATOM 618 CB GLU A 55 -6.346 3.063 -7.068 1.00 53.42 C ATOM 619 CG GLU A 55 -7.257 4.034 -7.765 1.00 44.44 C ATOM 620 CD GLU A 55 -6.550 5.219 -8.313 1.00 31.24 C ATOM 621 OE1 GLU A 55 -6.644 6.310 -7.724 1.00 61.42 O ATOM 622 OE2 GLU A 55 -5.880 5.091 -9.352 1.00 11.33 O ATOM 0 H GLU A 55 -7.832 3.196 -5.091 1.00 72.54 H new ATOM 0 HA GLU A 55 -7.585 1.414 -7.378 1.00 61.32 H new ATOM 0 HB2 GLU A 55 -5.824 3.570 -6.256 1.00 53.42 H new ATOM 0 HB3 GLU A 55 -5.586 2.710 -7.765 1.00 53.42 H new ATOM 0 HG2 GLU A 55 -7.771 3.519 -8.577 1.00 44.44 H new ATOM 0 HG3 GLU A 55 -8.022 4.369 -7.065 1.00 44.44 H new ATOM 629 N ILE A 56 -6.400 -0.335 -6.186 1.00 11.54 N ATOM 630 CA ILE A 56 -5.712 -1.401 -5.552 1.00 43.11 C ATOM 631 C ILE A 56 -4.457 -1.656 -6.338 1.00 41.10 C ATOM 632 O ILE A 56 -4.503 -2.153 -7.416 1.00 55.11 O ATOM 633 CB ILE A 56 -6.590 -2.674 -5.530 1.00 23.53 C ATOM 634 CG1 ILE A 56 -7.942 -2.400 -4.830 1.00 44.00 C ATOM 635 CG2 ILE A 56 -5.844 -3.795 -4.853 1.00 63.32 C ATOM 636 CD1 ILE A 56 -8.966 -3.527 -4.956 1.00 45.11 C ATOM 0 H ILE A 56 -7.031 -0.630 -6.931 1.00 11.54 H new ATOM 0 HA ILE A 56 -5.477 -1.141 -4.520 1.00 43.11 H new ATOM 0 HB ILE A 56 -6.808 -2.970 -6.556 1.00 23.53 H new ATOM 0 HG12 ILE A 56 -7.757 -2.212 -3.772 1.00 44.00 H new ATOM 0 HG13 ILE A 56 -8.372 -1.488 -5.245 1.00 44.00 H new ATOM 0 HG21 ILE A 56 -6.466 -4.690 -4.840 1.00 63.32 H new ATOM 0 HG22 ILE A 56 -4.923 -4.001 -5.399 1.00 63.32 H new ATOM 0 HG23 ILE A 56 -5.602 -3.506 -3.830 1.00 63.32 H new ATOM 0 HD11 ILE A 56 -9.882 -3.247 -4.435 1.00 45.11 H new ATOM 0 HD12 ILE A 56 -9.187 -3.702 -6.009 1.00 45.11 H new ATOM 0 HD13 ILE A 56 -8.561 -4.437 -4.514 1.00 45.11 H new ATOM 648 N TYR A 57 -3.371 -1.270 -5.825 1.00 23.21 N ATOM 649 CA TYR A 57 -2.148 -1.383 -6.536 1.00 71.33 C ATOM 650 C TYR A 57 -1.387 -2.583 -6.112 1.00 25.02 C ATOM 651 O TYR A 57 -0.791 -2.585 -5.083 1.00 22.14 O ATOM 652 CB TYR A 57 -1.317 -0.161 -6.330 1.00 15.52 C ATOM 653 CG TYR A 57 -1.922 1.083 -6.907 1.00 31.45 C ATOM 654 CD1 TYR A 57 -2.059 1.238 -8.273 1.00 72.12 C ATOM 655 CD2 TYR A 57 -2.322 2.117 -6.088 1.00 14.44 C ATOM 656 CE1 TYR A 57 -2.571 2.405 -8.804 1.00 23.34 C ATOM 657 CE2 TYR A 57 -2.846 3.274 -6.605 1.00 1.20 C ATOM 658 CZ TYR A 57 -2.965 3.419 -7.961 1.00 12.13 C ATOM 659 OH TYR A 57 -3.441 4.607 -8.474 1.00 0.41 O ATOM 0 H TYR A 57 -3.288 -0.861 -4.894 1.00 23.21 H new ATOM 0 HA TYR A 57 -2.386 -1.485 -7.595 1.00 71.33 H new ATOM 0 HB2 TYR A 57 -1.159 -0.016 -5.261 1.00 15.52 H new ATOM 0 HB3 TYR A 57 -0.336 -0.319 -6.779 1.00 15.52 H new ATOM 0 HD1 TYR A 57 -1.762 0.437 -8.933 1.00 72.12 H new ATOM 0 HD2 TYR A 57 -2.221 2.014 -5.018 1.00 14.44 H new ATOM 0 HE1 TYR A 57 -2.662 2.521 -9.874 1.00 23.34 H new ATOM 0 HE2 TYR A 57 -3.164 4.068 -5.945 1.00 1.20 H new ATOM 0 HH TYR A 57 -4.255 4.437 -8.992 1.00 0.41 H new ATOM 669 N VAL A 58 -1.367 -3.570 -6.919 1.00 32.42 N ATOM 670 CA VAL A 58 -0.695 -4.794 -6.576 1.00 62.34 C ATOM 671 C VAL A 58 0.538 -4.886 -7.396 1.00 73.01 C ATOM 672 O VAL A 58 0.462 -4.950 -8.616 1.00 3.20 O ATOM 673 CB VAL A 58 -1.598 -6.008 -6.814 1.00 20.03 C ATOM 674 CG1 VAL A 58 -0.858 -7.322 -6.613 1.00 61.44 C ATOM 675 CG2 VAL A 58 -2.782 -5.944 -5.906 1.00 33.04 C ATOM 0 H VAL A 58 -1.810 -3.570 -7.838 1.00 32.42 H new ATOM 0 HA VAL A 58 -0.442 -4.790 -5.516 1.00 62.34 H new ATOM 0 HB VAL A 58 -1.927 -5.975 -7.853 1.00 20.03 H new ATOM 0 HG11 VAL A 58 -1.539 -8.154 -6.793 1.00 61.44 H new ATOM 0 HG12 VAL A 58 -0.023 -7.380 -7.311 1.00 61.44 H new ATOM 0 HG13 VAL A 58 -0.482 -7.375 -5.591 1.00 61.44 H new ATOM 0 HG21 VAL A 58 -3.421 -6.810 -6.080 1.00 33.04 H new ATOM 0 HG22 VAL A 58 -2.446 -5.943 -4.869 1.00 33.04 H new ATOM 0 HG23 VAL A 58 -3.345 -5.032 -6.106 1.00 33.04 H new ATOM 685 N ASN A 59 1.672 -4.803 -6.718 1.00 40.33 N ATOM 686 CA ASN A 59 3.016 -4.785 -7.355 1.00 35.32 C ATOM 687 C ASN A 59 3.130 -3.639 -8.367 1.00 20.32 C ATOM 688 O ASN A 59 3.926 -3.681 -9.317 1.00 21.42 O ATOM 689 CB ASN A 59 3.323 -6.134 -8.016 1.00 34.43 C ATOM 690 CG ASN A 59 3.489 -7.260 -7.007 1.00 62.43 C ATOM 691 OD1 ASN A 59 4.004 -7.065 -5.893 1.00 21.24 O ATOM 692 ND2 ASN A 59 3.024 -8.431 -7.361 1.00 71.43 N ATOM 0 H ASN A 59 1.705 -4.745 -5.700 1.00 40.33 H new ATOM 0 HA ASN A 59 3.757 -4.615 -6.574 1.00 35.32 H new ATOM 0 HB2 ASN A 59 2.518 -6.387 -8.707 1.00 34.43 H new ATOM 0 HB3 ASN A 59 4.234 -6.045 -8.607 1.00 34.43 H new ATOM 0 HD21 ASN A 59 3.078 -9.218 -6.714 1.00 71.43 H new ATOM 0 HD22 ASN A 59 2.607 -8.557 -8.283 1.00 71.43 H new ATOM 699 N GLY A 60 2.343 -2.600 -8.140 1.00 75.54 N ATOM 700 CA GLY A 60 2.340 -1.452 -9.015 1.00 52.34 C ATOM 701 C GLY A 60 1.353 -1.594 -10.162 1.00 54.14 C ATOM 702 O GLY A 60 1.426 -0.862 -11.142 1.00 32.11 O ATOM 0 H GLY A 60 1.698 -2.534 -7.353 1.00 75.54 H new ATOM 0 HA2 GLY A 60 2.095 -0.560 -8.438 1.00 52.34 H new ATOM 0 HA3 GLY A 60 3.342 -1.305 -9.419 1.00 52.34 H new ATOM 706 N LYS A 61 0.454 -2.547 -10.066 1.00 0.34 N ATOM 707 CA LYS A 61 -0.553 -2.750 -11.074 1.00 14.13 C ATOM 708 C LYS A 61 -1.895 -2.407 -10.485 1.00 4.15 C ATOM 709 O LYS A 61 -2.224 -2.877 -9.399 1.00 40.53 O ATOM 710 CB LYS A 61 -0.536 -4.196 -11.578 1.00 30.11 C ATOM 711 CG LYS A 61 0.788 -4.649 -12.169 1.00 10.31 C ATOM 712 CD LYS A 61 1.156 -3.848 -13.399 1.00 62.23 C ATOM 713 CE LYS A 61 2.500 -4.276 -13.941 1.00 34.31 C ATOM 714 NZ LYS A 61 2.883 -3.508 -15.142 1.00 63.12 N ATOM 0 H LYS A 61 0.403 -3.202 -9.285 1.00 0.34 H new ATOM 0 HA LYS A 61 -0.350 -2.105 -11.929 1.00 14.13 H new ATOM 0 HB2 LYS A 61 -0.794 -4.857 -10.751 1.00 30.11 H new ATOM 0 HB3 LYS A 61 -1.314 -4.312 -12.333 1.00 30.11 H new ATOM 0 HG2 LYS A 61 1.574 -4.548 -11.421 1.00 10.31 H new ATOM 0 HG3 LYS A 61 0.728 -5.706 -12.428 1.00 10.31 H new ATOM 0 HD2 LYS A 61 0.392 -3.980 -14.165 1.00 62.23 H new ATOM 0 HD3 LYS A 61 1.180 -2.787 -13.152 1.00 62.23 H new ATOM 0 HE2 LYS A 61 3.260 -4.146 -13.170 1.00 34.31 H new ATOM 0 HE3 LYS A 61 2.471 -5.338 -14.184 1.00 34.31 H new ATOM 0 HZ1 LYS A 61 3.811 -3.833 -15.481 1.00 63.12 H new ATOM 0 HZ2 LYS A 61 2.172 -3.652 -15.887 1.00 63.12 H new ATOM 0 HZ3 LYS A 61 2.936 -2.497 -14.905 1.00 63.12 H new ATOM 728 N ILE A 62 -2.651 -1.602 -11.179 1.00 33.53 N ATOM 729 CA ILE A 62 -3.908 -1.125 -10.674 1.00 24.01 C ATOM 730 C ILE A 62 -4.972 -2.226 -10.843 1.00 51.32 C ATOM 731 O ILE A 62 -5.130 -2.821 -11.915 1.00 33.33 O ATOM 732 CB ILE A 62 -4.309 0.247 -11.365 1.00 74.32 C ATOM 733 CG1 ILE A 62 -5.313 1.093 -10.526 1.00 3.41 C ATOM 734 CG2 ILE A 62 -4.820 0.055 -12.786 1.00 4.33 C ATOM 735 CD1 ILE A 62 -6.693 0.514 -10.341 1.00 24.20 C ATOM 0 H ILE A 62 -2.413 -1.259 -12.110 1.00 33.53 H new ATOM 0 HA ILE A 62 -3.827 -0.908 -9.609 1.00 24.01 H new ATOM 0 HB ILE A 62 -3.382 0.817 -11.416 1.00 74.32 H new ATOM 0 HG12 ILE A 62 -4.878 1.259 -9.540 1.00 3.41 H new ATOM 0 HG13 ILE A 62 -5.414 2.070 -10.999 1.00 3.41 H new ATOM 0 HG21 ILE A 62 -5.080 1.023 -13.213 1.00 4.33 H new ATOM 0 HG22 ILE A 62 -4.043 -0.412 -13.392 1.00 4.33 H new ATOM 0 HG23 ILE A 62 -5.703 -0.584 -12.772 1.00 4.33 H new ATOM 0 HD11 ILE A 62 -7.296 1.195 -9.741 1.00 24.20 H new ATOM 0 HD12 ILE A 62 -7.163 0.375 -11.315 1.00 24.20 H new ATOM 0 HD13 ILE A 62 -6.619 -0.448 -9.834 1.00 24.20 H new ATOM 747 N GLN A 63 -5.605 -2.544 -9.767 1.00 34.12 N ATOM 748 CA GLN A 63 -6.630 -3.532 -9.701 1.00 63.42 C ATOM 749 C GLN A 63 -7.867 -2.876 -9.114 1.00 75.43 C ATOM 750 O GLN A 63 -7.760 -1.935 -8.297 1.00 74.01 O ATOM 751 CB GLN A 63 -6.221 -4.689 -8.753 1.00 34.12 C ATOM 752 CG GLN A 63 -4.800 -5.212 -8.903 1.00 5.13 C ATOM 753 CD GLN A 63 -4.457 -5.711 -10.285 1.00 74.33 C ATOM 754 OE1 GLN A 63 -5.307 -6.185 -11.035 1.00 15.03 O ATOM 755 NE2 GLN A 63 -3.204 -5.629 -10.615 1.00 30.23 N ATOM 0 H GLN A 63 -5.415 -2.103 -8.867 1.00 34.12 H new ATOM 0 HA GLN A 63 -6.807 -3.930 -10.700 1.00 63.42 H new ATOM 0 HB2 GLN A 63 -6.355 -4.353 -7.725 1.00 34.12 H new ATOM 0 HB3 GLN A 63 -6.910 -5.519 -8.909 1.00 34.12 H new ATOM 0 HG2 GLN A 63 -4.104 -4.417 -8.635 1.00 5.13 H new ATOM 0 HG3 GLN A 63 -4.648 -6.023 -8.190 1.00 5.13 H new ATOM 0 HE21 GLN A 63 -2.530 -5.228 -9.963 1.00 30.23 H new ATOM 0 HE22 GLN A 63 -2.894 -5.965 -11.527 1.00 30.23 H new ATOM 764 N THR A 64 -9.002 -3.329 -9.539 1.00 0.21 N ATOM 765 CA THR A 64 -10.262 -2.902 -8.994 1.00 11.23 C ATOM 766 C THR A 64 -10.751 -3.995 -8.028 1.00 22.31 C ATOM 767 O THR A 64 -10.103 -5.062 -7.928 1.00 60.12 O ATOM 768 CB THR A 64 -11.295 -2.632 -10.145 1.00 41.03 C ATOM 769 OG1 THR A 64 -12.558 -2.176 -9.630 1.00 44.42 O ATOM 770 CG2 THR A 64 -11.517 -3.877 -10.997 1.00 41.42 C ATOM 0 H THR A 64 -9.087 -4.018 -10.287 1.00 0.21 H new ATOM 0 HA THR A 64 -10.150 -1.964 -8.450 1.00 11.23 H new ATOM 0 HB THR A 64 -10.867 -1.847 -10.768 1.00 41.03 H new ATOM 0 HG1 THR A 64 -12.404 -1.566 -8.878 1.00 44.42 H new ATOM 0 HG21 THR A 64 -12.238 -3.655 -11.784 1.00 41.42 H new ATOM 0 HG22 THR A 64 -10.572 -4.184 -11.446 1.00 41.42 H new ATOM 0 HG23 THR A 64 -11.900 -4.683 -10.371 1.00 41.42 H new ATOM 778 N THR A 65 -11.846 -3.728 -7.320 1.00 62.10 N ATOM 779 CA THR A 65 -12.461 -4.639 -6.365 1.00 45.24 C ATOM 780 C THR A 65 -12.590 -6.075 -6.930 1.00 62.43 C ATOM 781 O THR A 65 -12.288 -7.053 -6.231 1.00 23.24 O ATOM 782 CB THR A 65 -13.857 -4.072 -5.881 1.00 34.54 C ATOM 783 OG1 THR A 65 -14.447 -4.902 -4.874 1.00 41.03 O ATOM 784 CG2 THR A 65 -14.844 -3.895 -7.036 1.00 53.03 C ATOM 0 H THR A 65 -12.344 -2.841 -7.400 1.00 62.10 H new ATOM 0 HA THR A 65 -11.803 -4.708 -5.499 1.00 45.24 H new ATOM 0 HB THR A 65 -13.648 -3.091 -5.454 1.00 34.54 H new ATOM 0 HG1 THR A 65 -15.376 -5.100 -5.116 1.00 41.03 H new ATOM 0 HG21 THR A 65 -15.786 -3.504 -6.653 1.00 53.03 H new ATOM 0 HG22 THR A 65 -14.431 -3.197 -7.764 1.00 53.03 H new ATOM 0 HG23 THR A 65 -15.019 -4.858 -7.516 1.00 53.03 H new ATOM 792 N THR A 66 -12.944 -6.178 -8.212 1.00 44.53 N ATOM 793 CA THR A 66 -13.114 -7.453 -8.875 1.00 72.42 C ATOM 794 C THR A 66 -11.781 -8.205 -8.941 1.00 3.13 C ATOM 795 O THR A 66 -11.682 -9.335 -8.483 1.00 21.34 O ATOM 796 CB THR A 66 -13.660 -7.234 -10.297 1.00 40.44 C ATOM 797 OG1 THR A 66 -14.832 -6.401 -10.214 1.00 71.52 O ATOM 798 CG2 THR A 66 -14.020 -8.561 -10.976 1.00 34.44 C ATOM 0 H THR A 66 -13.119 -5.373 -8.813 1.00 44.53 H new ATOM 0 HA THR A 66 -13.824 -8.051 -8.304 1.00 72.42 H new ATOM 0 HB THR A 66 -12.887 -6.755 -10.898 1.00 40.44 H new ATOM 0 HG1 THR A 66 -15.191 -6.251 -11.113 1.00 71.52 H new ATOM 0 HG21 THR A 66 -14.402 -8.365 -11.978 1.00 34.44 H new ATOM 0 HG22 THR A 66 -13.131 -9.188 -11.043 1.00 34.44 H new ATOM 0 HG23 THR A 66 -14.783 -9.074 -10.391 1.00 34.44 H new ATOM 806 N ALA A 67 -10.759 -7.535 -9.460 1.00 53.03 N ATOM 807 CA ALA A 67 -9.438 -8.117 -9.633 1.00 5.02 C ATOM 808 C ALA A 67 -8.852 -8.538 -8.291 1.00 40.42 C ATOM 809 O ALA A 67 -8.342 -9.641 -8.169 1.00 64.31 O ATOM 810 CB ALA A 67 -8.527 -7.139 -10.349 1.00 14.01 C ATOM 0 H ALA A 67 -10.826 -6.567 -9.774 1.00 53.03 H new ATOM 0 HA ALA A 67 -9.527 -9.013 -10.248 1.00 5.02 H new ATOM 0 HB1 ALA A 67 -7.540 -7.585 -10.473 1.00 14.01 H new ATOM 0 HB2 ALA A 67 -8.944 -6.903 -11.328 1.00 14.01 H new ATOM 0 HB3 ALA A 67 -8.441 -6.225 -9.761 1.00 14.01 H new ATOM 816 N PHE A 68 -8.954 -7.661 -7.286 1.00 63.32 N ATOM 817 CA PHE A 68 -8.517 -7.974 -5.911 1.00 63.44 C ATOM 818 C PHE A 68 -9.148 -9.268 -5.456 1.00 75.44 C ATOM 819 O PHE A 68 -8.461 -10.205 -5.051 1.00 1.32 O ATOM 820 CB PHE A 68 -8.938 -6.846 -4.969 1.00 65.43 C ATOM 821 CG PHE A 68 -8.739 -7.112 -3.481 1.00 0.41 C ATOM 822 CD1 PHE A 68 -9.742 -7.714 -2.727 1.00 34.20 C ATOM 823 CD2 PHE A 68 -7.567 -6.764 -2.847 1.00 52.53 C ATOM 824 CE1 PHE A 68 -9.569 -7.964 -1.383 1.00 0.44 C ATOM 825 CE2 PHE A 68 -7.393 -7.012 -1.496 1.00 2.01 C ATOM 826 CZ PHE A 68 -8.393 -7.613 -0.767 1.00 51.40 C ATOM 0 H PHE A 68 -9.337 -6.722 -7.395 1.00 63.32 H new ATOM 0 HA PHE A 68 -7.432 -8.076 -5.896 1.00 63.44 H new ATOM 0 HB2 PHE A 68 -8.380 -5.949 -5.236 1.00 65.43 H new ATOM 0 HB3 PHE A 68 -9.992 -6.629 -5.142 1.00 65.43 H new ATOM 0 HD1 PHE A 68 -10.671 -7.990 -3.203 1.00 34.20 H new ATOM 0 HD2 PHE A 68 -6.775 -6.292 -3.410 1.00 52.53 H new ATOM 0 HE1 PHE A 68 -10.357 -8.435 -0.815 1.00 0.44 H new ATOM 0 HE2 PHE A 68 -6.469 -6.733 -1.013 1.00 2.01 H new ATOM 0 HZ PHE A 68 -8.254 -7.808 0.286 1.00 51.40 H new ATOM 836 N LEU A 69 -10.459 -9.277 -5.515 1.00 21.22 N ATOM 837 CA LEU A 69 -11.277 -10.468 -5.183 1.00 50.03 C ATOM 838 C LEU A 69 -10.758 -11.726 -5.924 1.00 13.31 C ATOM 839 O LEU A 69 -10.638 -12.808 -5.332 1.00 51.23 O ATOM 840 CB LEU A 69 -12.780 -10.169 -5.501 1.00 64.12 C ATOM 841 CG LEU A 69 -13.893 -11.194 -5.111 1.00 61.14 C ATOM 842 CD1 LEU A 69 -13.854 -12.482 -5.924 1.00 24.23 C ATOM 843 CD2 LEU A 69 -13.866 -11.503 -3.629 1.00 61.11 C ATOM 0 H LEU A 69 -11.011 -8.466 -5.793 1.00 21.22 H new ATOM 0 HA LEU A 69 -11.190 -10.683 -4.118 1.00 50.03 H new ATOM 0 HB2 LEU A 69 -13.029 -9.224 -5.018 1.00 64.12 H new ATOM 0 HB3 LEU A 69 -12.855 -10.006 -6.576 1.00 64.12 H new ATOM 0 HG LEU A 69 -14.835 -10.703 -5.355 1.00 61.14 H new ATOM 0 HD11 LEU A 69 -14.656 -13.143 -5.596 1.00 24.23 H new ATOM 0 HD12 LEU A 69 -13.984 -12.249 -6.981 1.00 24.23 H new ATOM 0 HD13 LEU A 69 -12.894 -12.976 -5.777 1.00 24.23 H new ATOM 0 HD21 LEU A 69 -14.653 -12.219 -3.392 1.00 61.11 H new ATOM 0 HD22 LEU A 69 -12.898 -11.927 -3.363 1.00 61.11 H new ATOM 0 HD23 LEU A 69 -14.028 -10.586 -3.063 1.00 61.11 H new ATOM 855 N GLN A 70 -10.434 -11.570 -7.188 1.00 45.41 N ATOM 856 CA GLN A 70 -9.919 -12.642 -8.002 1.00 34.52 C ATOM 857 C GLN A 70 -8.577 -13.153 -7.463 1.00 12.41 C ATOM 858 O GLN A 70 -8.392 -14.357 -7.275 1.00 23.14 O ATOM 859 CB GLN A 70 -9.802 -12.172 -9.438 1.00 42.13 C ATOM 860 CG GLN A 70 -11.147 -11.879 -10.089 1.00 4.33 C ATOM 861 CD GLN A 70 -11.996 -13.104 -10.365 1.00 61.11 C ATOM 862 OE1 GLN A 70 -12.779 -13.555 -9.520 1.00 61.41 O ATOM 863 NE2 GLN A 70 -11.890 -13.624 -11.559 1.00 71.00 N ATOM 0 H GLN A 70 -10.523 -10.683 -7.683 1.00 45.41 H new ATOM 0 HA GLN A 70 -10.612 -13.482 -7.965 1.00 34.52 H new ATOM 0 HB2 GLN A 70 -9.188 -11.272 -9.469 1.00 42.13 H new ATOM 0 HB3 GLN A 70 -9.283 -12.933 -10.021 1.00 42.13 H new ATOM 0 HG2 GLN A 70 -11.708 -11.202 -9.444 1.00 4.33 H new ATOM 0 HG3 GLN A 70 -10.974 -11.354 -11.028 1.00 4.33 H new ATOM 0 HE21 GLN A 70 -11.234 -13.227 -12.232 1.00 71.00 H new ATOM 0 HE22 GLN A 70 -12.463 -14.427 -11.818 1.00 71.00 H new ATOM 872 N PHE A 71 -7.674 -12.244 -7.141 1.00 13.14 N ATOM 873 CA PHE A 71 -6.374 -12.641 -6.604 1.00 70.35 C ATOM 874 C PHE A 71 -6.558 -13.276 -5.239 1.00 65.23 C ATOM 875 O PHE A 71 -5.902 -14.251 -4.897 1.00 2.43 O ATOM 876 CB PHE A 71 -5.414 -11.462 -6.513 1.00 53.32 C ATOM 877 CG PHE A 71 -5.086 -10.831 -7.821 1.00 75.23 C ATOM 878 CD1 PHE A 71 -5.381 -9.507 -8.045 1.00 62.14 C ATOM 879 CD2 PHE A 71 -4.496 -11.566 -8.837 1.00 14.11 C ATOM 880 CE1 PHE A 71 -5.101 -8.917 -9.248 1.00 30.10 C ATOM 881 CE2 PHE A 71 -4.208 -10.978 -10.050 1.00 3.15 C ATOM 882 CZ PHE A 71 -4.513 -9.649 -10.255 1.00 0.34 C ATOM 0 H PHE A 71 -7.809 -11.238 -7.238 1.00 13.14 H new ATOM 0 HA PHE A 71 -5.934 -13.366 -7.289 1.00 70.35 H new ATOM 0 HB2 PHE A 71 -5.848 -10.706 -5.858 1.00 53.32 H new ATOM 0 HB3 PHE A 71 -4.489 -11.798 -6.044 1.00 53.32 H new ATOM 0 HD1 PHE A 71 -5.840 -8.924 -7.260 1.00 62.14 H new ATOM 0 HD2 PHE A 71 -4.260 -12.608 -8.677 1.00 14.11 H new ATOM 0 HE1 PHE A 71 -5.342 -7.876 -9.407 1.00 30.10 H new ATOM 0 HE2 PHE A 71 -3.745 -11.556 -10.836 1.00 3.15 H new ATOM 0 HZ PHE A 71 -4.291 -9.183 -11.204 1.00 0.34 H new ATOM 892 N PHE A 72 -7.480 -12.743 -4.477 1.00 3.51 N ATOM 893 CA PHE A 72 -7.831 -13.292 -3.196 1.00 1.23 C ATOM 894 C PHE A 72 -8.271 -14.752 -3.328 1.00 31.44 C ATOM 895 O PHE A 72 -7.710 -15.628 -2.666 1.00 53.13 O ATOM 896 CB PHE A 72 -8.913 -12.432 -2.518 1.00 14.32 C ATOM 897 CG PHE A 72 -9.786 -13.196 -1.575 1.00 24.32 C ATOM 898 CD1 PHE A 72 -11.075 -13.494 -1.941 1.00 23.04 C ATOM 899 CD2 PHE A 72 -9.314 -13.644 -0.361 1.00 70.44 C ATOM 900 CE1 PHE A 72 -11.891 -14.224 -1.122 1.00 1.00 C ATOM 901 CE2 PHE A 72 -10.126 -14.376 0.474 1.00 32.42 C ATOM 902 CZ PHE A 72 -11.417 -14.669 0.093 1.00 32.14 C ATOM 0 H PHE A 72 -8.011 -11.910 -4.732 1.00 3.51 H new ATOM 0 HA PHE A 72 -6.947 -13.276 -2.559 1.00 1.23 H new ATOM 0 HB2 PHE A 72 -8.431 -11.619 -1.975 1.00 14.32 H new ATOM 0 HB3 PHE A 72 -9.536 -11.976 -3.287 1.00 14.32 H new ATOM 0 HD1 PHE A 72 -11.451 -13.146 -2.892 1.00 23.04 H new ATOM 0 HD2 PHE A 72 -8.301 -13.419 -0.063 1.00 70.44 H new ATOM 0 HE1 PHE A 72 -12.902 -14.451 -1.426 1.00 1.00 H new ATOM 0 HE2 PHE A 72 -9.752 -14.720 1.427 1.00 32.42 H new ATOM 0 HZ PHE A 72 -12.056 -15.246 0.745 1.00 32.14 H new ATOM 912 N ARG A 73 -9.214 -15.012 -4.227 1.00 33.23 N ATOM 913 CA ARG A 73 -9.760 -16.346 -4.393 1.00 20.02 C ATOM 914 C ARG A 73 -8.720 -17.282 -5.001 1.00 41.02 C ATOM 915 O ARG A 73 -8.780 -18.493 -4.836 1.00 75.35 O ATOM 916 CB ARG A 73 -11.071 -16.321 -5.206 1.00 13.04 C ATOM 917 CG ARG A 73 -10.912 -15.924 -6.661 1.00 75.14 C ATOM 918 CD ARG A 73 -12.235 -15.620 -7.323 1.00 11.35 C ATOM 919 NE ARG A 73 -13.197 -16.717 -7.278 1.00 12.43 N ATOM 920 CZ ARG A 73 -14.362 -16.714 -7.935 1.00 33.50 C ATOM 921 NH1 ARG A 73 -14.659 -15.710 -8.774 1.00 45.21 N ATOM 922 NH2 ARG A 73 -15.221 -17.715 -7.767 1.00 71.11 N ATOM 0 H ARG A 73 -9.614 -14.312 -4.851 1.00 33.23 H new ATOM 0 HA ARG A 73 -10.013 -16.737 -3.408 1.00 20.02 H new ATOM 0 HB2 ARG A 73 -11.528 -17.310 -5.162 1.00 13.04 H new ATOM 0 HB3 ARG A 73 -11.764 -15.628 -4.729 1.00 13.04 H new ATOM 0 HG2 ARG A 73 -10.266 -15.049 -6.727 1.00 75.14 H new ATOM 0 HG3 ARG A 73 -10.415 -16.729 -7.202 1.00 75.14 H new ATOM 0 HD2 ARG A 73 -12.676 -14.746 -6.843 1.00 11.35 H new ATOM 0 HD3 ARG A 73 -12.054 -15.354 -8.364 1.00 11.35 H new ATOM 0 HE ARG A 73 -12.967 -17.534 -6.712 1.00 12.43 H new ATOM 0 HH11 ARG A 73 -13.996 -14.947 -8.912 1.00 45.21 H new ATOM 0 HH12 ARG A 73 -15.548 -15.709 -9.274 1.00 45.21 H new ATOM 0 HH21 ARG A 73 -14.991 -18.484 -7.138 1.00 71.11 H new ATOM 0 HH22 ARG A 73 -16.110 -17.714 -8.267 1.00 71.11 H new ATOM 936 N GLN A 74 -7.756 -16.703 -5.693 1.00 12.01 N ATOM 937 CA GLN A 74 -6.652 -17.461 -6.255 1.00 2.30 C ATOM 938 C GLN A 74 -5.561 -17.764 -5.226 1.00 42.34 C ATOM 939 O GLN A 74 -4.594 -18.479 -5.514 1.00 53.30 O ATOM 940 CB GLN A 74 -6.089 -16.756 -7.450 1.00 13.24 C ATOM 941 CG GLN A 74 -7.024 -16.800 -8.626 1.00 1.34 C ATOM 942 CD GLN A 74 -7.110 -18.171 -9.276 1.00 40.04 C ATOM 943 OE1 GLN A 74 -6.353 -18.472 -10.202 1.00 14.42 O ATOM 944 NE2 GLN A 74 -8.005 -19.006 -8.813 1.00 72.05 N ATOM 0 H GLN A 74 -7.715 -15.701 -5.881 1.00 12.01 H new ATOM 0 HA GLN A 74 -7.051 -18.425 -6.572 1.00 2.30 H new ATOM 0 HB2 GLN A 74 -5.880 -15.718 -7.192 1.00 13.24 H new ATOM 0 HB3 GLN A 74 -5.139 -17.213 -7.726 1.00 13.24 H new ATOM 0 HG2 GLN A 74 -8.019 -16.497 -8.301 1.00 1.34 H new ATOM 0 HG3 GLN A 74 -6.696 -16.073 -9.369 1.00 1.34 H new ATOM 0 HE21 GLN A 74 -8.616 -18.725 -8.046 1.00 72.05 H new ATOM 0 HE22 GLN A 74 -8.092 -19.938 -9.219 1.00 72.05 H new ATOM 953 N GLY A 75 -5.705 -17.204 -4.040 1.00 10.13 N ATOM 954 CA GLY A 75 -4.793 -17.503 -2.953 1.00 24.11 C ATOM 955 C GLY A 75 -3.694 -16.477 -2.770 1.00 22.54 C ATOM 956 O GLY A 75 -2.684 -16.748 -2.108 1.00 11.24 O ATOM 0 H GLY A 75 -6.443 -16.541 -3.805 1.00 10.13 H new ATOM 0 HA2 GLY A 75 -5.362 -17.580 -2.026 1.00 24.11 H new ATOM 0 HA3 GLY A 75 -4.339 -18.478 -3.131 1.00 24.11 H new ATOM 960 N LEU A 76 -3.873 -15.308 -3.333 1.00 32.15 N ATOM 961 CA LEU A 76 -2.875 -14.248 -3.219 1.00 45.22 C ATOM 962 C LEU A 76 -2.959 -13.532 -1.879 1.00 11.13 C ATOM 963 O LEU A 76 -2.031 -13.572 -1.090 1.00 1.12 O ATOM 964 CB LEU A 76 -2.996 -13.205 -4.357 1.00 4.01 C ATOM 965 CG LEU A 76 -2.487 -13.570 -5.775 1.00 20.34 C ATOM 966 CD1 LEU A 76 -1.002 -13.811 -5.775 1.00 5.24 C ATOM 967 CD2 LEU A 76 -3.201 -14.769 -6.366 1.00 25.21 C ATOM 0 H LEU A 76 -4.698 -15.056 -3.878 1.00 32.15 H new ATOM 0 HA LEU A 76 -1.907 -14.744 -3.299 1.00 45.22 H new ATOM 0 HB2 LEU A 76 -4.049 -12.937 -4.445 1.00 4.01 H new ATOM 0 HB3 LEU A 76 -2.464 -12.309 -4.038 1.00 4.01 H new ATOM 0 HG LEU A 76 -2.712 -12.710 -6.405 1.00 20.34 H new ATOM 0 HD11 LEU A 76 -0.675 -14.065 -6.783 1.00 5.24 H new ATOM 0 HD12 LEU A 76 -0.487 -12.910 -5.442 1.00 5.24 H new ATOM 0 HD13 LEU A 76 -0.767 -14.633 -5.099 1.00 5.24 H new ATOM 0 HD21 LEU A 76 -2.802 -14.977 -7.359 1.00 25.21 H new ATOM 0 HD22 LEU A 76 -3.047 -15.637 -5.724 1.00 25.21 H new ATOM 0 HD23 LEU A 76 -4.268 -14.557 -6.440 1.00 25.21 H new ATOM 979 N PHE A 77 -4.096 -12.930 -1.594 1.00 13.53 N ATOM 980 CA PHE A 77 -4.200 -12.066 -0.416 1.00 25.33 C ATOM 981 C PHE A 77 -4.468 -12.816 0.851 1.00 43.11 C ATOM 982 O PHE A 77 -4.368 -12.259 1.923 1.00 2.32 O ATOM 983 CB PHE A 77 -5.234 -10.968 -0.609 1.00 41.42 C ATOM 984 CG PHE A 77 -4.958 -10.104 -1.787 1.00 50.23 C ATOM 985 CD1 PHE A 77 -3.814 -9.330 -1.844 1.00 34.34 C ATOM 986 CD2 PHE A 77 -5.841 -10.062 -2.838 1.00 50.23 C ATOM 987 CE1 PHE A 77 -3.565 -8.537 -2.937 1.00 14.25 C ATOM 988 CE2 PHE A 77 -5.596 -9.271 -3.923 1.00 70.33 C ATOM 989 CZ PHE A 77 -4.463 -8.509 -3.979 1.00 14.24 C ATOM 0 H PHE A 77 -4.951 -13.014 -2.144 1.00 13.53 H new ATOM 0 HA PHE A 77 -3.217 -11.606 -0.310 1.00 25.33 H new ATOM 0 HB2 PHE A 77 -6.219 -11.421 -0.722 1.00 41.42 H new ATOM 0 HB3 PHE A 77 -5.269 -10.349 0.287 1.00 41.42 H new ATOM 0 HD1 PHE A 77 -3.112 -9.349 -1.024 1.00 34.34 H new ATOM 0 HD2 PHE A 77 -6.739 -10.661 -2.806 1.00 50.23 H new ATOM 0 HE1 PHE A 77 -2.668 -7.938 -2.979 1.00 14.25 H new ATOM 0 HE2 PHE A 77 -6.301 -9.247 -4.741 1.00 70.33 H new ATOM 0 HZ PHE A 77 -4.273 -7.886 -4.840 1.00 14.24 H new ATOM 999 N LYS A 78 -4.725 -14.101 0.750 1.00 62.34 N ATOM 1000 CA LYS A 78 -5.029 -14.861 1.941 1.00 41.30 C ATOM 1001 C LYS A 78 -3.800 -14.980 2.867 1.00 52.02 C ATOM 1002 O LYS A 78 -3.924 -15.343 4.030 1.00 45.12 O ATOM 1003 CB LYS A 78 -5.698 -16.230 1.606 1.00 55.32 C ATOM 1004 CG LYS A 78 -4.860 -17.262 0.819 1.00 32.21 C ATOM 1005 CD LYS A 78 -3.746 -17.914 1.657 1.00 43.34 C ATOM 1006 CE LYS A 78 -4.301 -18.630 2.890 1.00 10.53 C ATOM 1007 NZ LYS A 78 -3.241 -19.269 3.682 1.00 13.40 N ATOM 0 H LYS A 78 -4.730 -14.631 -0.121 1.00 62.34 H new ATOM 0 HA LYS A 78 -5.776 -14.307 2.509 1.00 41.30 H new ATOM 0 HB2 LYS A 78 -6.005 -16.692 2.544 1.00 55.32 H new ATOM 0 HB3 LYS A 78 -6.606 -16.030 1.037 1.00 55.32 H new ATOM 0 HG2 LYS A 78 -5.521 -18.041 0.439 1.00 32.21 H new ATOM 0 HG3 LYS A 78 -4.414 -16.772 -0.046 1.00 32.21 H new ATOM 0 HD2 LYS A 78 -3.198 -18.626 1.040 1.00 43.34 H new ATOM 0 HD3 LYS A 78 -3.034 -17.150 1.971 1.00 43.34 H new ATOM 0 HE2 LYS A 78 -4.837 -17.915 3.513 1.00 10.53 H new ATOM 0 HE3 LYS A 78 -5.023 -19.384 2.576 1.00 10.53 H new ATOM 0 HZ1 LYS A 78 -3.662 -19.742 4.507 1.00 13.40 H new ATOM 0 HZ2 LYS A 78 -2.745 -19.971 3.096 1.00 13.40 H new ATOM 0 HZ3 LYS A 78 -2.565 -18.547 4.004 1.00 13.40 H new ATOM 1021 N LYS A 79 -2.616 -14.683 2.320 1.00 63.35 N ATOM 1022 CA LYS A 79 -1.379 -14.714 3.086 1.00 1.21 C ATOM 1023 C LYS A 79 -1.146 -13.354 3.743 1.00 72.04 C ATOM 1024 O LYS A 79 -0.394 -13.235 4.705 1.00 51.23 O ATOM 1025 CB LYS A 79 -0.185 -15.092 2.170 1.00 32.04 C ATOM 1026 CG LYS A 79 0.262 -13.984 1.199 1.00 0.15 C ATOM 1027 CD LYS A 79 1.223 -14.490 0.107 1.00 4.10 C ATOM 1028 CE LYS A 79 2.522 -15.106 0.643 1.00 44.53 C ATOM 1029 NZ LYS A 79 3.388 -14.142 1.365 1.00 75.21 N ATOM 0 H LYS A 79 -2.495 -14.418 1.343 1.00 63.35 H new ATOM 0 HA LYS A 79 -1.461 -15.472 3.865 1.00 1.21 H new ATOM 0 HB2 LYS A 79 0.662 -15.369 2.797 1.00 32.04 H new ATOM 0 HB3 LYS A 79 -0.455 -15.975 1.591 1.00 32.04 H new ATOM 0 HG2 LYS A 79 -0.617 -13.547 0.727 1.00 0.15 H new ATOM 0 HG3 LYS A 79 0.749 -13.189 1.764 1.00 0.15 H new ATOM 0 HD2 LYS A 79 0.706 -15.233 -0.499 1.00 4.10 H new ATOM 0 HD3 LYS A 79 1.474 -13.659 -0.553 1.00 4.10 H new ATOM 0 HE2 LYS A 79 2.273 -15.929 1.313 1.00 44.53 H new ATOM 0 HE3 LYS A 79 3.083 -15.531 -0.190 1.00 44.53 H new ATOM 0 HZ1 LYS A 79 4.253 -14.623 1.683 1.00 75.21 H new ATOM 0 HZ2 LYS A 79 3.641 -13.359 0.729 1.00 75.21 H new ATOM 0 HZ3 LYS A 79 2.877 -13.767 2.190 1.00 75.21 H new ATOM 1043 N LEU A 80 -1.847 -12.353 3.247 1.00 62.42 N ATOM 1044 CA LEU A 80 -1.658 -10.984 3.668 1.00 52.34 C ATOM 1045 C LEU A 80 -2.478 -10.724 4.928 1.00 22.24 C ATOM 1046 O LEU A 80 -2.162 -9.847 5.705 1.00 41.24 O ATOM 1047 CB LEU A 80 -2.035 -10.034 2.474 1.00 30.21 C ATOM 1048 CG LEU A 80 -1.714 -8.510 2.559 1.00 24.05 C ATOM 1049 CD1 LEU A 80 -2.658 -7.756 3.488 1.00 62.45 C ATOM 1050 CD2 LEU A 80 -0.263 -8.284 2.969 1.00 73.35 C ATOM 0 H LEU A 80 -2.568 -12.471 2.535 1.00 62.42 H new ATOM 0 HA LEU A 80 -0.618 -10.786 3.926 1.00 52.34 H new ATOM 0 HB2 LEU A 80 -1.540 -10.420 1.583 1.00 30.21 H new ATOM 0 HB3 LEU A 80 -3.108 -10.131 2.309 1.00 30.21 H new ATOM 0 HG LEU A 80 -1.868 -8.105 1.559 1.00 24.05 H new ATOM 0 HD11 LEU A 80 -2.385 -6.701 3.506 1.00 62.45 H new ATOM 0 HD12 LEU A 80 -3.682 -7.860 3.129 1.00 62.45 H new ATOM 0 HD13 LEU A 80 -2.583 -8.167 4.495 1.00 62.45 H new ATOM 0 HD21 LEU A 80 -0.062 -7.214 3.022 1.00 73.35 H new ATOM 0 HD22 LEU A 80 -0.086 -8.735 3.946 1.00 73.35 H new ATOM 0 HD23 LEU A 80 0.398 -8.741 2.233 1.00 73.35 H new ATOM 1062 N LYS A 81 -3.444 -11.590 5.202 1.00 23.33 N ATOM 1063 CA LYS A 81 -4.337 -11.381 6.352 1.00 64.43 C ATOM 1064 C LYS A 81 -3.640 -11.764 7.672 1.00 12.13 C ATOM 1065 O LYS A 81 -4.226 -11.703 8.757 1.00 72.44 O ATOM 1066 CB LYS A 81 -5.688 -12.128 6.151 1.00 50.40 C ATOM 1067 CG LYS A 81 -5.665 -13.662 6.239 1.00 54.13 C ATOM 1068 CD LYS A 81 -5.958 -14.142 7.659 1.00 55.21 C ATOM 1069 CE LYS A 81 -5.931 -15.654 7.775 1.00 75.45 C ATOM 1070 NZ LYS A 81 -6.372 -16.110 9.116 1.00 2.13 N ATOM 0 H LYS A 81 -3.634 -12.432 4.659 1.00 23.33 H new ATOM 0 HA LYS A 81 -4.571 -10.318 6.418 1.00 64.43 H new ATOM 0 HB2 LYS A 81 -6.392 -11.758 6.896 1.00 50.40 H new ATOM 0 HB3 LYS A 81 -6.084 -11.852 5.174 1.00 50.40 H new ATOM 0 HG2 LYS A 81 -6.402 -14.079 5.553 1.00 54.13 H new ATOM 0 HG3 LYS A 81 -4.690 -14.032 5.922 1.00 54.13 H new ATOM 0 HD2 LYS A 81 -5.225 -13.715 8.343 1.00 55.21 H new ATOM 0 HD3 LYS A 81 -6.936 -13.774 7.970 1.00 55.21 H new ATOM 0 HE2 LYS A 81 -6.577 -16.089 7.012 1.00 75.45 H new ATOM 0 HE3 LYS A 81 -4.921 -16.016 7.582 1.00 75.45 H new ATOM 0 HZ1 LYS A 81 -6.340 -17.149 9.157 1.00 2.13 H new ATOM 0 HZ2 LYS A 81 -5.741 -15.715 9.842 1.00 2.13 H new ATOM 0 HZ3 LYS A 81 -7.345 -15.786 9.290 1.00 2.13 H new ATOM 1084 N ASP A 82 -2.381 -12.136 7.561 1.00 64.14 N ATOM 1085 CA ASP A 82 -1.564 -12.534 8.701 1.00 51.03 C ATOM 1086 C ASP A 82 -0.600 -11.392 9.027 1.00 42.33 C ATOM 1087 O ASP A 82 0.238 -11.479 9.931 1.00 33.52 O ATOM 1088 CB ASP A 82 -0.771 -13.797 8.327 1.00 13.33 C ATOM 1089 CG ASP A 82 -0.152 -14.519 9.514 1.00 33.23 C ATOM 1090 OD1 ASP A 82 -0.852 -15.358 10.119 1.00 0.30 O ATOM 1091 OD2 ASP A 82 1.048 -14.313 9.831 1.00 50.21 O ATOM 0 H ASP A 82 -1.886 -12.173 6.670 1.00 64.14 H new ATOM 0 HA ASP A 82 -2.189 -12.746 9.568 1.00 51.03 H new ATOM 0 HB2 ASP A 82 -1.433 -14.486 7.802 1.00 13.33 H new ATOM 0 HB3 ASP A 82 0.021 -13.522 7.630 1.00 13.33 H new ATOM 1096 N ALA A 83 -0.742 -10.313 8.288 1.00 61.12 N ATOM 1097 CA ALA A 83 0.144 -9.177 8.398 1.00 3.21 C ATOM 1098 C ALA A 83 -0.099 -8.347 9.643 1.00 12.33 C ATOM 1099 O ALA A 83 -1.213 -8.303 10.198 1.00 11.21 O ATOM 1100 CB ALA A 83 0.067 -8.313 7.157 1.00 4.22 C ATOM 0 H ALA A 83 -1.479 -10.200 7.592 1.00 61.12 H new ATOM 0 HA ALA A 83 1.152 -9.583 8.489 1.00 3.21 H new ATOM 0 HB1 ALA A 83 0.742 -7.464 7.262 1.00 4.22 H new ATOM 0 HB2 ALA A 83 0.356 -8.901 6.286 1.00 4.22 H new ATOM 0 HB3 ALA A 83 -0.953 -7.951 7.028 1.00 4.22 H new ATOM 1106 N GLU A 84 0.948 -7.696 10.069 1.00 15.31 N ATOM 1107 CA GLU A 84 0.937 -6.851 11.226 1.00 53.31 C ATOM 1108 C GLU A 84 0.805 -5.418 10.768 1.00 70.41 C ATOM 1109 O GLU A 84 1.465 -5.013 9.809 1.00 3.04 O ATOM 1110 CB GLU A 84 2.252 -7.003 11.971 1.00 2.13 C ATOM 1111 CG GLU A 84 2.566 -8.419 12.406 1.00 71.12 C ATOM 1112 CD GLU A 84 3.964 -8.537 12.936 1.00 54.04 C ATOM 1113 OE1 GLU A 84 4.890 -8.755 12.128 1.00 1.00 O ATOM 1114 OE2 GLU A 84 4.173 -8.410 14.160 1.00 23.11 O ATOM 0 H GLU A 84 1.856 -7.741 9.607 1.00 15.31 H new ATOM 0 HA GLU A 84 0.109 -7.124 11.880 1.00 53.31 H new ATOM 0 HB2 GLU A 84 3.060 -6.644 11.333 1.00 2.13 H new ATOM 0 HB3 GLU A 84 2.232 -6.361 12.852 1.00 2.13 H new ATOM 0 HG2 GLU A 84 1.858 -8.730 13.174 1.00 71.12 H new ATOM 0 HG3 GLU A 84 2.438 -9.096 11.562 1.00 71.12 H new ATOM 1121 N PHE A 85 -0.044 -4.666 11.418 1.00 75.41 N ATOM 1122 CA PHE A 85 -0.204 -3.265 11.101 1.00 40.15 C ATOM 1123 C PHE A 85 0.957 -2.478 11.682 1.00 33.32 C ATOM 1124 O PHE A 85 1.195 -2.490 12.893 1.00 73.53 O ATOM 1125 CB PHE A 85 -1.587 -2.723 11.560 1.00 14.23 C ATOM 1126 CG PHE A 85 -1.946 -2.977 13.008 1.00 13.33 C ATOM 1127 CD1 PHE A 85 -1.765 -1.993 13.967 1.00 71.13 C ATOM 1128 CD2 PHE A 85 -2.471 -4.197 13.403 1.00 21.11 C ATOM 1129 CE1 PHE A 85 -2.098 -2.224 15.286 1.00 20.33 C ATOM 1130 CE2 PHE A 85 -2.803 -4.431 14.719 1.00 63.33 C ATOM 1131 CZ PHE A 85 -2.616 -3.443 15.662 1.00 5.31 C ATOM 0 H PHE A 85 -0.640 -5.000 12.175 1.00 75.41 H new ATOM 0 HA PHE A 85 -0.187 -3.141 10.018 1.00 40.15 H new ATOM 0 HB2 PHE A 85 -1.612 -1.648 11.382 1.00 14.23 H new ATOM 0 HB3 PHE A 85 -2.358 -3.168 10.931 1.00 14.23 H new ATOM 0 HD1 PHE A 85 -1.359 -1.035 13.679 1.00 71.13 H new ATOM 0 HD2 PHE A 85 -2.622 -4.975 12.669 1.00 21.11 H new ATOM 0 HE1 PHE A 85 -1.952 -1.449 16.023 1.00 20.33 H new ATOM 0 HE2 PHE A 85 -3.210 -5.388 15.012 1.00 63.33 H new ATOM 0 HZ PHE A 85 -2.876 -3.625 16.694 1.00 5.31 H new ATOM 1300 N GLU A 97 -6.520 15.322 4.688 1.00 43.25 N ATOM 1301 CA GLU A 97 -6.011 14.452 5.741 1.00 62.04 C ATOM 1302 C GLU A 97 -6.141 12.998 5.360 1.00 24.22 C ATOM 1303 O GLU A 97 -7.238 12.501 5.128 1.00 53.50 O ATOM 1304 CB GLU A 97 -6.730 14.711 7.057 1.00 61.11 C ATOM 1305 CG GLU A 97 -6.615 16.137 7.550 1.00 12.35 C ATOM 1306 CD GLU A 97 -7.183 16.300 8.928 1.00 21.43 C ATOM 1307 OE1 GLU A 97 -8.377 16.606 9.067 1.00 53.30 O ATOM 1308 OE2 GLU A 97 -6.436 16.112 9.911 1.00 1.14 O ATOM 0 HA GLU A 97 -4.953 14.681 5.869 1.00 62.04 H new ATOM 0 HB2 GLU A 97 -7.785 14.462 6.938 1.00 61.11 H new ATOM 0 HB3 GLU A 97 -6.328 14.041 7.817 1.00 61.11 H new ATOM 0 HG2 GLU A 97 -5.567 16.437 7.551 1.00 12.35 H new ATOM 0 HG3 GLU A 97 -7.136 16.802 6.862 1.00 12.35 H new ATOM 1315 N GLY A 98 -5.032 12.329 5.304 1.00 3.13 N ATOM 1316 CA GLY A 98 -5.032 10.981 4.893 1.00 73.54 C ATOM 1317 C GLY A 98 -4.118 10.157 5.723 1.00 13.20 C ATOM 1318 O GLY A 98 -3.185 10.684 6.330 1.00 33.05 O ATOM 0 H GLY A 98 -4.115 12.707 5.542 1.00 3.13 H new ATOM 0 HA2 GLY A 98 -6.044 10.580 4.957 1.00 73.54 H new ATOM 0 HA3 GLY A 98 -4.731 10.919 3.847 1.00 73.54 H new ATOM 1322 N TYR A 99 -4.381 8.885 5.763 1.00 52.34 N ATOM 1323 CA TYR A 99 -3.575 7.978 6.524 1.00 13.13 C ATOM 1324 C TYR A 99 -2.940 7.013 5.576 1.00 74.45 C ATOM 1325 O TYR A 99 -3.461 6.784 4.451 1.00 4.33 O ATOM 1326 CB TYR A 99 -4.415 7.136 7.487 1.00 12.51 C ATOM 1327 CG TYR A 99 -5.454 7.867 8.284 1.00 23.24 C ATOM 1328 CD1 TYR A 99 -6.788 7.704 7.976 1.00 0.13 C ATOM 1329 CD2 TYR A 99 -5.115 8.699 9.342 1.00 3.12 C ATOM 1330 CE1 TYR A 99 -7.764 8.335 8.685 1.00 12.00 C ATOM 1331 CE2 TYR A 99 -6.093 9.348 10.068 1.00 40.00 C ATOM 1332 CZ TYR A 99 -7.420 9.159 9.737 1.00 44.14 C ATOM 1333 OH TYR A 99 -8.404 9.798 10.456 1.00 44.34 O ATOM 0 H TYR A 99 -5.159 8.447 5.270 1.00 52.34 H new ATOM 0 HA TYR A 99 -2.853 8.569 7.088 1.00 13.13 H new ATOM 0 HB2 TYR A 99 -4.913 6.355 6.912 1.00 12.51 H new ATOM 0 HB3 TYR A 99 -3.740 6.638 8.183 1.00 12.51 H new ATOM 0 HD1 TYR A 99 -7.065 7.061 7.154 1.00 0.13 H new ATOM 0 HD2 TYR A 99 -4.076 8.840 9.600 1.00 3.12 H new ATOM 0 HE1 TYR A 99 -8.802 8.191 8.425 1.00 12.00 H new ATOM 0 HE2 TYR A 99 -5.823 9.998 10.887 1.00 40.00 H new ATOM 0 HH TYR A 99 -8.101 9.930 11.379 1.00 44.34 H new ATOM 1343 N LYS A 100 -1.861 6.449 6.008 1.00 71.14 N ATOM 1344 CA LYS A 100 -1.225 5.383 5.324 1.00 40.12 C ATOM 1345 C LYS A 100 -1.099 4.281 6.317 1.00 4.34 C ATOM 1346 O LYS A 100 -0.252 4.332 7.217 1.00 72.43 O ATOM 1347 CB LYS A 100 0.174 5.699 4.786 1.00 31.23 C ATOM 1348 CG LYS A 100 0.722 4.487 4.033 1.00 65.00 C ATOM 1349 CD LYS A 100 2.234 4.476 3.843 1.00 11.35 C ATOM 1350 CE LYS A 100 2.742 5.590 2.957 1.00 42.14 C ATOM 1351 NZ LYS A 100 4.124 5.303 2.509 1.00 63.32 N ATOM 0 H LYS A 100 -1.389 6.727 6.868 1.00 71.14 H new ATOM 0 HA LYS A 100 -1.828 5.144 4.448 1.00 40.12 H new ATOM 0 HB2 LYS A 100 0.133 6.563 4.123 1.00 31.23 H new ATOM 0 HB3 LYS A 100 0.840 5.960 5.608 1.00 31.23 H new ATOM 0 HG2 LYS A 100 0.432 3.583 4.569 1.00 65.00 H new ATOM 0 HG3 LYS A 100 0.247 4.442 3.053 1.00 65.00 H new ATOM 0 HD2 LYS A 100 2.715 4.551 4.818 1.00 11.35 H new ATOM 0 HD3 LYS A 100 2.531 3.519 3.415 1.00 11.35 H new ATOM 0 HE2 LYS A 100 2.088 5.702 2.092 1.00 42.14 H new ATOM 0 HE3 LYS A 100 2.718 6.535 3.500 1.00 42.14 H new ATOM 0 HZ1 LYS A 100 4.472 6.093 1.929 1.00 63.32 H new ATOM 0 HZ2 LYS A 100 4.740 5.185 3.338 1.00 63.32 H new ATOM 0 HZ3 LYS A 100 4.132 4.429 1.945 1.00 63.32 H new ATOM 1365 N LEU A 101 -1.944 3.351 6.209 1.00 1.33 N ATOM 1366 CA LEU A 101 -1.951 2.245 7.096 1.00 4.24 C ATOM 1367 C LEU A 101 -1.255 1.121 6.396 1.00 22.43 C ATOM 1368 O LEU A 101 -1.725 0.651 5.370 1.00 4.41 O ATOM 1369 CB LEU A 101 -3.395 1.918 7.434 1.00 3.21 C ATOM 1370 CG LEU A 101 -4.177 3.103 8.020 1.00 24.43 C ATOM 1371 CD1 LEU A 101 -5.644 2.800 8.120 1.00 32.45 C ATOM 1372 CD2 LEU A 101 -3.627 3.494 9.380 1.00 72.15 C ATOM 0 H LEU A 101 -2.670 3.322 5.493 1.00 1.33 H new ATOM 0 HA LEU A 101 -1.433 2.446 8.034 1.00 4.24 H new ATOM 0 HB2 LEU A 101 -3.900 1.571 6.532 1.00 3.21 H new ATOM 0 HB3 LEU A 101 -3.414 1.094 8.147 1.00 3.21 H new ATOM 0 HG LEU A 101 -4.053 3.944 7.338 1.00 24.43 H new ATOM 0 HD11 LEU A 101 -6.166 3.661 8.539 1.00 32.45 H new ATOM 0 HD12 LEU A 101 -6.039 2.584 7.128 1.00 32.45 H new ATOM 0 HD13 LEU A 101 -5.794 1.935 8.767 1.00 32.45 H new ATOM 0 HD21 LEU A 101 -4.197 4.335 9.775 1.00 72.15 H new ATOM 0 HD22 LEU A 101 -3.709 2.648 10.062 1.00 72.15 H new ATOM 0 HD23 LEU A 101 -2.580 3.780 9.281 1.00 72.15 H new ATOM 1384 N VAL A 102 -0.111 0.746 6.887 1.00 52.44 N ATOM 1385 CA VAL A 102 0.670 -0.243 6.215 1.00 64.14 C ATOM 1386 C VAL A 102 0.823 -1.501 7.039 1.00 24.41 C ATOM 1387 O VAL A 102 1.095 -1.455 8.231 1.00 32.21 O ATOM 1388 CB VAL A 102 2.056 0.309 5.740 1.00 43.41 C ATOM 1389 CG1 VAL A 102 2.905 0.815 6.901 1.00 75.44 C ATOM 1390 CG2 VAL A 102 2.815 -0.728 4.910 1.00 1.43 C ATOM 0 H VAL A 102 0.299 1.110 7.747 1.00 52.44 H new ATOM 0 HA VAL A 102 0.115 -0.512 5.316 1.00 64.14 H new ATOM 0 HB VAL A 102 1.850 1.166 5.099 1.00 43.41 H new ATOM 0 HG11 VAL A 102 3.856 1.188 6.521 1.00 75.44 H new ATOM 0 HG12 VAL A 102 2.378 1.620 7.413 1.00 75.44 H new ATOM 0 HG13 VAL A 102 3.088 -0.001 7.600 1.00 75.44 H new ATOM 0 HG21 VAL A 102 3.773 -0.313 4.596 1.00 1.43 H new ATOM 0 HG22 VAL A 102 2.986 -1.621 5.511 1.00 1.43 H new ATOM 0 HG23 VAL A 102 2.228 -0.990 4.030 1.00 1.43 H new ATOM 1400 N TRP A 103 0.588 -2.596 6.409 1.00 4.13 N ATOM 1401 CA TRP A 103 0.747 -3.882 7.001 1.00 52.25 C ATOM 1402 C TRP A 103 1.978 -4.534 6.444 1.00 62.44 C ATOM 1403 O TRP A 103 2.287 -4.389 5.257 1.00 43.51 O ATOM 1404 CB TRP A 103 -0.464 -4.786 6.743 1.00 1.43 C ATOM 1405 CG TRP A 103 -1.706 -4.382 7.461 1.00 4.44 C ATOM 1406 CD1 TRP A 103 -2.180 -4.913 8.623 1.00 20.34 C ATOM 1407 CD2 TRP A 103 -2.637 -3.378 7.069 1.00 52.33 C ATOM 1408 NE1 TRP A 103 -3.341 -4.288 8.986 1.00 21.40 N ATOM 1409 CE2 TRP A 103 -3.643 -3.342 8.047 1.00 13.24 C ATOM 1410 CE3 TRP A 103 -2.715 -2.504 5.989 1.00 21.44 C ATOM 1411 CZ2 TRP A 103 -4.708 -2.464 7.977 1.00 4.51 C ATOM 1412 CZ3 TRP A 103 -3.774 -1.636 5.922 1.00 75.42 C ATOM 1413 CH2 TRP A 103 -4.754 -1.617 6.907 1.00 45.31 C ATOM 0 H TRP A 103 0.271 -2.626 5.440 1.00 4.13 H new ATOM 0 HA TRP A 103 0.838 -3.745 8.078 1.00 52.25 H new ATOM 0 HB2 TRP A 103 -0.668 -4.801 5.672 1.00 1.43 H new ATOM 0 HB3 TRP A 103 -0.208 -5.805 7.033 1.00 1.43 H new ATOM 0 HD1 TRP A 103 -1.708 -5.711 9.177 1.00 20.34 H new ATOM 0 HE1 TRP A 103 -3.891 -4.494 9.820 1.00 21.40 H new ATOM 0 HE3 TRP A 103 -1.957 -2.509 5.220 1.00 21.44 H new ATOM 0 HZ2 TRP A 103 -5.474 -2.448 8.739 1.00 4.51 H new ATOM 0 HZ3 TRP A 103 -3.848 -0.954 5.088 1.00 75.42 H new ATOM 0 HH2 TRP A 103 -5.571 -0.916 6.824 1.00 45.31 H new ATOM 1424 N LYS A 104 2.685 -5.205 7.290 1.00 62.11 N ATOM 1425 CA LYS A 104 3.828 -5.969 6.901 1.00 74.02 C ATOM 1426 C LYS A 104 3.563 -7.416 7.244 1.00 22.11 C ATOM 1427 O LYS A 104 3.259 -7.753 8.395 1.00 65.34 O ATOM 1428 CB LYS A 104 5.114 -5.456 7.570 1.00 74.12 C ATOM 1429 CG LYS A 104 5.697 -4.189 6.939 1.00 41.44 C ATOM 1430 CD LYS A 104 6.899 -3.680 7.735 1.00 51.51 C ATOM 1431 CE LYS A 104 7.706 -2.615 6.976 1.00 3.22 C ATOM 1432 NZ LYS A 104 6.890 -1.460 6.542 1.00 73.44 N ATOM 0 H LYS A 104 2.483 -5.240 8.289 1.00 62.11 H new ATOM 0 HA LYS A 104 3.988 -5.866 5.828 1.00 74.02 H new ATOM 0 HB2 LYS A 104 4.908 -5.261 8.622 1.00 74.12 H new ATOM 0 HB3 LYS A 104 5.866 -6.244 7.534 1.00 74.12 H new ATOM 0 HG2 LYS A 104 5.998 -4.396 5.912 1.00 41.44 H new ATOM 0 HG3 LYS A 104 4.931 -3.415 6.896 1.00 41.44 H new ATOM 0 HD2 LYS A 104 6.553 -3.262 8.680 1.00 51.51 H new ATOM 0 HD3 LYS A 104 7.551 -4.519 7.977 1.00 51.51 H new ATOM 0 HE2 LYS A 104 8.515 -2.260 7.614 1.00 3.22 H new ATOM 0 HE3 LYS A 104 8.167 -3.074 6.102 1.00 3.22 H new ATOM 0 HZ1 LYS A 104 7.513 -0.713 6.174 1.00 73.44 H new ATOM 0 HZ2 LYS A 104 6.232 -1.761 5.795 1.00 73.44 H new ATOM 0 HZ3 LYS A 104 6.350 -1.093 7.351 1.00 73.44 H new ATOM 1446 N SER A 105 3.609 -8.237 6.248 1.00 43.00 N ATOM 1447 CA SER A 105 3.342 -9.637 6.366 1.00 5.15 C ATOM 1448 C SER A 105 4.571 -10.384 6.910 1.00 13.14 C ATOM 1449 O SER A 105 5.529 -9.757 7.391 1.00 13.33 O ATOM 1450 CB SER A 105 2.886 -10.141 4.989 1.00 13.21 C ATOM 1451 OG SER A 105 2.611 -11.529 4.939 1.00 13.10 O ATOM 0 H SER A 105 3.841 -7.945 5.298 1.00 43.00 H new ATOM 0 HA SER A 105 2.547 -9.827 7.087 1.00 5.15 H new ATOM 0 HB2 SER A 105 1.991 -9.594 4.693 1.00 13.21 H new ATOM 0 HB3 SER A 105 3.658 -9.909 4.256 1.00 13.21 H new ATOM 0 HG SER A 105 2.961 -11.902 4.103 1.00 13.10 H new ATOM 1640 N TRP A 117 9.012 -9.760 2.762 1.00 14.32 N ATOM 1641 CA TRP A 117 7.756 -9.610 3.402 1.00 5.21 C ATOM 1642 C TRP A 117 6.773 -9.088 2.384 1.00 53.43 C ATOM 1643 O TRP A 117 7.164 -8.657 1.290 1.00 33.54 O ATOM 1644 CB TRP A 117 7.893 -8.655 4.613 1.00 23.42 C ATOM 1645 CG TRP A 117 8.519 -7.333 4.265 1.00 21.43 C ATOM 1646 CD1 TRP A 117 7.882 -6.253 3.786 1.00 13.21 C ATOM 1647 CD2 TRP A 117 9.904 -6.969 4.366 1.00 74.14 C ATOM 1648 NE1 TRP A 117 8.766 -5.230 3.557 1.00 12.44 N ATOM 1649 CE2 TRP A 117 10.017 -5.644 3.909 1.00 64.11 C ATOM 1650 CE3 TRP A 117 11.054 -7.631 4.791 1.00 12.41 C ATOM 1651 CZ2 TRP A 117 11.232 -4.972 3.864 1.00 75.51 C ATOM 1652 CZ3 TRP A 117 12.261 -6.958 4.747 1.00 74.25 C ATOM 1653 CH2 TRP A 117 12.340 -5.644 4.287 1.00 34.42 C ATOM 0 HA TRP A 117 7.396 -10.565 3.786 1.00 5.21 H new ATOM 0 HB2 TRP A 117 6.906 -8.479 5.041 1.00 23.42 H new ATOM 0 HB3 TRP A 117 8.492 -9.141 5.383 1.00 23.42 H new ATOM 0 HD1 TRP A 117 6.819 -6.197 3.606 1.00 13.21 H new ATOM 0 HE1 TRP A 117 8.527 -4.311 3.185 1.00 12.44 H new ATOM 0 HE3 TRP A 117 11.004 -8.649 5.148 1.00 12.41 H new ATOM 0 HZ2 TRP A 117 11.296 -3.955 3.507 1.00 75.51 H new ATOM 0 HZ3 TRP A 117 13.160 -7.459 5.075 1.00 74.25 H new ATOM 0 HH2 TRP A 117 13.299 -5.148 4.265 1.00 34.42 H new ATOM 1664 N ASP A 118 5.532 -9.168 2.683 1.00 72.22 N ATOM 1665 CA ASP A 118 4.531 -8.625 1.805 1.00 1.31 C ATOM 1666 C ASP A 118 4.037 -7.380 2.479 1.00 4.43 C ATOM 1667 O ASP A 118 3.802 -7.391 3.686 1.00 60.24 O ATOM 1668 CB ASP A 118 3.333 -9.586 1.612 1.00 14.24 C ATOM 1669 CG ASP A 118 3.709 -11.065 1.504 1.00 21.20 C ATOM 1670 OD1 ASP A 118 3.790 -11.757 2.560 1.00 42.31 O ATOM 1671 OD2 ASP A 118 3.895 -11.582 0.389 1.00 14.04 O ATOM 0 H ASP A 118 5.169 -9.604 3.531 1.00 72.22 H new ATOM 0 HA ASP A 118 4.960 -8.448 0.819 1.00 1.31 H new ATOM 0 HB2 ASP A 118 2.646 -9.460 2.449 1.00 14.24 H new ATOM 0 HB3 ASP A 118 2.794 -9.296 0.710 1.00 14.24 H new ATOM 1676 N GLU A 119 3.912 -6.321 1.765 1.00 75.44 N ATOM 1677 CA GLU A 119 3.402 -5.100 2.376 1.00 4.31 C ATOM 1678 C GLU A 119 2.089 -4.702 1.799 1.00 1.52 C ATOM 1679 O GLU A 119 1.763 -5.041 0.657 1.00 44.41 O ATOM 1680 CB GLU A 119 4.357 -3.910 2.292 1.00 24.21 C ATOM 1681 CG GLU A 119 5.606 -4.072 3.079 1.00 34.23 C ATOM 1682 CD GLU A 119 6.363 -2.787 3.238 1.00 11.33 C ATOM 1683 OE1 GLU A 119 5.995 -1.973 4.107 1.00 35.32 O ATOM 1684 OE2 GLU A 119 7.365 -2.570 2.539 1.00 14.11 O ATOM 0 H GLU A 119 4.145 -6.251 0.774 1.00 75.44 H new ATOM 0 HA GLU A 119 3.289 -5.355 3.430 1.00 4.31 H new ATOM 0 HB2 GLU A 119 4.619 -3.742 1.247 1.00 24.21 H new ATOM 0 HB3 GLU A 119 3.837 -3.017 2.638 1.00 24.21 H new ATOM 0 HG2 GLU A 119 5.360 -4.468 4.064 1.00 34.23 H new ATOM 0 HG3 GLU A 119 6.245 -4.807 2.590 1.00 34.23 H new ATOM 1691 N ALA A 120 1.342 -3.996 2.583 1.00 23.43 N ATOM 1692 CA ALA A 120 0.081 -3.478 2.171 1.00 4.53 C ATOM 1693 C ALA A 120 -0.070 -2.081 2.700 1.00 53.22 C ATOM 1694 O ALA A 120 -0.102 -1.882 3.888 1.00 33.54 O ATOM 1695 CB ALA A 120 -1.030 -4.356 2.693 1.00 40.30 C ATOM 0 H ALA A 120 1.596 -3.760 3.542 1.00 23.43 H new ATOM 0 HA ALA A 120 0.027 -3.461 1.082 1.00 4.53 H new ATOM 0 HB1 ALA A 120 -1.992 -3.954 2.374 1.00 40.30 H new ATOM 0 HB2 ALA A 120 -0.911 -5.366 2.300 1.00 40.30 H new ATOM 0 HB3 ALA A 120 -0.991 -4.383 3.782 1.00 40.30 H new ATOM 1701 N GLU A 121 -0.166 -1.133 1.825 1.00 71.53 N ATOM 1702 CA GLU A 121 -0.304 0.257 2.212 1.00 14.05 C ATOM 1703 C GLU A 121 -1.679 0.739 1.832 1.00 42.14 C ATOM 1704 O GLU A 121 -1.972 0.890 0.665 1.00 61.00 O ATOM 1705 CB GLU A 121 0.724 1.145 1.483 1.00 34.04 C ATOM 1706 CG GLU A 121 2.186 0.891 1.802 1.00 3.15 C ATOM 1707 CD GLU A 121 3.103 1.764 0.970 1.00 41.52 C ATOM 1708 OE1 GLU A 121 3.163 3.003 1.186 1.00 52.42 O ATOM 1709 OE2 GLU A 121 3.776 1.251 0.065 1.00 63.31 O ATOM 0 H GLU A 121 -0.152 -1.288 0.817 1.00 71.53 H new ATOM 0 HA GLU A 121 -0.140 0.325 3.287 1.00 14.05 H new ATOM 0 HB2 GLU A 121 0.582 1.020 0.410 1.00 34.04 H new ATOM 0 HB3 GLU A 121 0.500 2.186 1.715 1.00 34.04 H new ATOM 0 HG2 GLU A 121 2.365 1.080 2.860 1.00 3.15 H new ATOM 0 HG3 GLU A 121 2.421 -0.158 1.622 1.00 3.15 H new ATOM 1716 N ALA A 122 -2.506 0.970 2.783 1.00 32.35 N ATOM 1717 CA ALA A 122 -3.801 1.502 2.520 1.00 14.30 C ATOM 1718 C ALA A 122 -3.792 3.002 2.736 1.00 15.22 C ATOM 1719 O ALA A 122 -3.510 3.489 3.841 1.00 10.24 O ATOM 1720 CB ALA A 122 -4.851 0.836 3.389 1.00 31.21 C ATOM 0 H ALA A 122 -2.309 0.797 3.769 1.00 32.35 H new ATOM 0 HA ALA A 122 -4.058 1.297 1.481 1.00 14.30 H new ATOM 0 HB1 ALA A 122 -5.830 1.261 3.167 1.00 31.21 H new ATOM 0 HB2 ALA A 122 -4.866 -0.235 3.185 1.00 31.21 H new ATOM 0 HB3 ALA A 122 -4.613 1.002 4.440 1.00 31.21 H new ATOM 1726 N TYR A 123 -4.067 3.715 1.688 1.00 10.34 N ATOM 1727 CA TYR A 123 -4.108 5.146 1.695 1.00 60.32 C ATOM 1728 C TYR A 123 -5.555 5.549 1.767 1.00 51.14 C ATOM 1729 O TYR A 123 -6.328 5.281 0.839 1.00 52.44 O ATOM 1730 CB TYR A 123 -3.503 5.712 0.397 1.00 4.40 C ATOM 1731 CG TYR A 123 -2.119 5.206 0.063 1.00 51.22 C ATOM 1732 CD1 TYR A 123 -1.947 4.009 -0.622 1.00 70.45 C ATOM 1733 CD2 TYR A 123 -0.992 5.921 0.418 1.00 2.42 C ATOM 1734 CE1 TYR A 123 -0.699 3.544 -0.941 1.00 32.45 C ATOM 1735 CE2 TYR A 123 0.269 5.464 0.103 1.00 1.32 C ATOM 1736 CZ TYR A 123 0.411 4.277 -0.580 1.00 14.13 C ATOM 1737 OH TYR A 123 1.674 3.812 -0.885 1.00 23.22 O ATOM 0 H TYR A 123 -4.275 3.306 0.777 1.00 10.34 H new ATOM 0 HA TYR A 123 -3.537 5.531 2.540 1.00 60.32 H new ATOM 0 HB2 TYR A 123 -4.170 5.473 -0.431 1.00 4.40 H new ATOM 0 HB3 TYR A 123 -3.467 6.799 0.474 1.00 4.40 H new ATOM 0 HD1 TYR A 123 -2.815 3.434 -0.909 1.00 70.45 H new ATOM 0 HD2 TYR A 123 -1.101 6.854 0.951 1.00 2.42 H new ATOM 0 HE1 TYR A 123 -0.585 2.610 -1.471 1.00 32.45 H new ATOM 0 HE2 TYR A 123 1.141 6.033 0.390 1.00 1.32 H new ATOM 0 HH TYR A 123 2.246 3.876 -0.092 1.00 23.22 H new ATOM 1747 N ILE A 124 -5.932 6.143 2.846 1.00 2.31 N ATOM 1748 CA ILE A 124 -7.321 6.584 3.037 1.00 20.52 C ATOM 1749 C ILE A 124 -7.301 8.076 3.194 1.00 1.30 C ATOM 1750 O ILE A 124 -6.360 8.592 3.784 1.00 63.31 O ATOM 1751 CB ILE A 124 -7.940 5.957 4.334 1.00 21.52 C ATOM 1752 CG1 ILE A 124 -7.909 4.424 4.285 1.00 35.23 C ATOM 1753 CG2 ILE A 124 -9.367 6.463 4.595 1.00 13.13 C ATOM 1754 CD1 ILE A 124 -8.536 3.767 5.499 1.00 41.21 C ATOM 0 H ILE A 124 -5.313 6.348 3.630 1.00 2.31 H new ATOM 0 HA ILE A 124 -7.921 6.270 2.183 1.00 20.52 H new ATOM 0 HB ILE A 124 -7.318 6.284 5.168 1.00 21.52 H new ATOM 0 HG12 ILE A 124 -8.430 4.086 3.389 1.00 35.23 H new ATOM 0 HG13 ILE A 124 -6.875 4.092 4.196 1.00 35.23 H new ATOM 0 HG21 ILE A 124 -9.756 6.002 5.503 1.00 13.13 H new ATOM 0 HG22 ILE A 124 -9.353 7.546 4.715 1.00 13.13 H new ATOM 0 HG23 ILE A 124 -10.006 6.200 3.752 1.00 13.13 H new ATOM 0 HD11 ILE A 124 -8.479 2.683 5.396 1.00 41.21 H new ATOM 0 HD12 ILE A 124 -8.000 4.075 6.397 1.00 41.21 H new ATOM 0 HD13 ILE A 124 -9.580 4.069 5.578 1.00 41.21 H new ATOM 1766 N TRP A 125 -8.292 8.778 2.676 1.00 44.30 N ATOM 1767 CA TRP A 125 -8.316 10.192 2.869 1.00 4.42 C ATOM 1768 C TRP A 125 -9.667 10.640 3.395 1.00 5.22 C ATOM 1769 O TRP A 125 -10.726 10.006 3.133 1.00 12.41 O ATOM 1770 CB TRP A 125 -7.859 10.987 1.606 1.00 32.41 C ATOM 1771 CG TRP A 125 -8.934 11.447 0.641 1.00 22.25 C ATOM 1772 CD1 TRP A 125 -9.296 12.745 0.405 1.00 41.33 C ATOM 1773 CD2 TRP A 125 -9.769 10.647 -0.204 1.00 61.22 C ATOM 1774 NE1 TRP A 125 -10.282 12.797 -0.540 1.00 23.33 N ATOM 1775 CE2 TRP A 125 -10.596 11.529 -0.928 1.00 1.01 C ATOM 1776 CE3 TRP A 125 -9.899 9.288 -0.423 1.00 24.45 C ATOM 1777 CZ2 TRP A 125 -11.532 11.085 -1.852 1.00 44.41 C ATOM 1778 CZ3 TRP A 125 -10.826 8.844 -1.335 1.00 43.32 C ATOM 1779 CH2 TRP A 125 -11.635 9.745 -2.042 1.00 14.44 C ATOM 0 H TRP A 125 -9.066 8.393 2.134 1.00 44.30 H new ATOM 0 HA TRP A 125 -7.575 10.430 3.632 1.00 4.42 H new ATOM 0 HB2 TRP A 125 -7.311 11.867 1.943 1.00 32.41 H new ATOM 0 HB3 TRP A 125 -7.155 10.365 1.053 1.00 32.41 H new ATOM 0 HD1 TRP A 125 -8.865 13.605 0.895 1.00 41.33 H new ATOM 0 HE1 TRP A 125 -10.714 13.649 -0.898 1.00 23.33 H new ATOM 0 HE3 TRP A 125 -9.280 8.585 0.115 1.00 24.45 H new ATOM 0 HZ2 TRP A 125 -12.154 11.779 -2.398 1.00 44.41 H new ATOM 0 HZ3 TRP A 125 -10.933 7.784 -1.510 1.00 43.32 H new ATOM 0 HH2 TRP A 125 -12.355 9.365 -2.752 1.00 14.44 H new ATOM 1790 N ARG A 126 -9.613 11.660 4.183 1.00 52.21 N ATOM 1791 CA ARG A 126 -10.750 12.271 4.773 1.00 13.45 C ATOM 1792 C ARG A 126 -11.250 13.331 3.877 1.00 51.03 C ATOM 1793 O ARG A 126 -10.575 14.329 3.605 1.00 41.00 O ATOM 1794 CB ARG A 126 -10.396 12.774 6.142 1.00 50.24 C ATOM 1795 CG ARG A 126 -10.265 11.628 7.094 1.00 51.12 C ATOM 1796 CD ARG A 126 -9.402 11.943 8.300 1.00 61.25 C ATOM 1797 NE ARG A 126 -9.841 13.105 9.054 1.00 4.54 N ATOM 1798 CZ ARG A 126 -9.508 13.348 10.325 1.00 73.22 C ATOM 1799 NH1 ARG A 126 -8.893 12.421 11.060 1.00 43.31 N ATOM 1800 NH2 ARG A 126 -9.814 14.502 10.864 1.00 23.40 N ATOM 0 H ARG A 126 -8.735 12.109 4.443 1.00 52.21 H new ATOM 0 HA ARG A 126 -11.558 11.550 4.901 1.00 13.45 H new ATOM 0 HB2 ARG A 126 -9.461 13.332 6.102 1.00 50.24 H new ATOM 0 HB3 ARG A 126 -11.164 13.463 6.494 1.00 50.24 H new ATOM 0 HG2 ARG A 126 -11.258 11.332 7.434 1.00 51.12 H new ATOM 0 HG3 ARG A 126 -9.841 10.774 6.566 1.00 51.12 H new ATOM 0 HD2 ARG A 126 -9.390 11.077 8.962 1.00 61.25 H new ATOM 0 HD3 ARG A 126 -8.376 12.104 7.968 1.00 61.25 H new ATOM 0 HE ARG A 126 -10.443 13.780 8.582 1.00 4.54 H new ATOM 0 HH11 ARG A 126 -8.671 11.512 10.653 1.00 43.31 H new ATOM 0 HH12 ARG A 126 -8.645 12.620 12.029 1.00 43.31 H new ATOM 0 HH21 ARG A 126 -10.303 15.208 10.314 1.00 23.40 H new ATOM 0 HH22 ARG A 126 -9.563 14.695 11.834 1.00 23.40 H new ATOM 1814 N ARG A 127 -12.425 13.118 3.435 1.00 61.32 N ATOM 1815 CA ARG A 127 -13.016 13.921 2.407 1.00 43.45 C ATOM 1816 C ARG A 127 -13.569 15.191 2.969 1.00 43.35 C ATOM 1817 O ARG A 127 -14.125 15.210 4.068 1.00 41.42 O ATOM 1818 CB ARG A 127 -14.142 13.149 1.698 1.00 21.33 C ATOM 1819 CG ARG A 127 -13.689 11.851 1.080 1.00 51.24 C ATOM 1820 CD ARG A 127 -14.828 11.084 0.408 1.00 53.41 C ATOM 1821 NE ARG A 127 -15.415 11.782 -0.753 1.00 51.12 N ATOM 1822 CZ ARG A 127 -16.031 11.162 -1.787 1.00 22.44 C ATOM 1823 NH1 ARG A 127 -16.192 9.837 -1.780 1.00 74.21 N ATOM 1824 NH2 ARG A 127 -16.503 11.872 -2.801 1.00 21.25 N ATOM 0 H ARG A 127 -13.028 12.369 3.775 1.00 61.32 H new ATOM 0 HA ARG A 127 -12.233 14.163 1.688 1.00 43.45 H new ATOM 0 HB2 ARG A 127 -14.936 12.942 2.415 1.00 21.33 H new ATOM 0 HB3 ARG A 127 -14.571 13.781 0.921 1.00 21.33 H new ATOM 0 HG2 ARG A 127 -12.912 12.056 0.344 1.00 51.24 H new ATOM 0 HG3 ARG A 127 -13.240 11.224 1.851 1.00 51.24 H new ATOM 0 HD2 ARG A 127 -14.457 10.111 0.085 1.00 53.41 H new ATOM 0 HD3 ARG A 127 -15.612 10.899 1.143 1.00 53.41 H new ATOM 0 HE ARG A 127 -15.352 12.800 -0.778 1.00 51.12 H new ATOM 0 HH11 ARG A 127 -15.850 9.286 -0.993 1.00 74.21 H new ATOM 0 HH12 ARG A 127 -16.657 9.376 -2.562 1.00 74.21 H new ATOM 0 HH21 ARG A 127 -16.403 12.887 -2.803 1.00 21.25 H new ATOM 0 HH22 ARG A 127 -16.967 11.404 -3.579 1.00 21.25 H new ATOM 1838 N LYS A 128 -13.472 16.237 2.184 1.00 64.05 N ATOM 1839 CA LYS A 128 -14.052 17.516 2.514 1.00 51.43 C ATOM 1840 C LYS A 128 -15.561 17.397 2.358 1.00 34.11 C ATOM 1841 O LYS A 128 -16.316 18.279 2.742 1.00 22.35 O ATOM 1842 CB LYS A 128 -13.514 18.606 1.591 1.00 62.12 C ATOM 1843 CG LYS A 128 -12.000 18.782 1.647 1.00 15.52 C ATOM 1844 CD LYS A 128 -11.527 19.908 0.728 1.00 43.22 C ATOM 1845 CE LYS A 128 -11.902 19.646 -0.729 1.00 33.51 C ATOM 1846 NZ LYS A 128 -11.459 20.730 -1.628 1.00 13.14 N ATOM 0 H LYS A 128 -12.983 16.224 1.289 1.00 64.05 H new ATOM 0 HA LYS A 128 -13.793 17.790 3.537 1.00 51.43 H new ATOM 0 HB2 LYS A 128 -13.804 18.374 0.566 1.00 62.12 H new ATOM 0 HB3 LYS A 128 -13.988 19.553 1.850 1.00 62.12 H new ATOM 0 HG2 LYS A 128 -11.696 18.997 2.672 1.00 15.52 H new ATOM 0 HG3 LYS A 128 -11.514 17.849 1.359 1.00 15.52 H new ATOM 0 HD2 LYS A 128 -11.967 20.851 1.053 1.00 43.22 H new ATOM 0 HD3 LYS A 128 -10.445 20.015 0.811 1.00 43.22 H new ATOM 0 HE2 LYS A 128 -11.457 18.705 -1.052 1.00 33.51 H new ATOM 0 HE3 LYS A 128 -12.983 19.531 -0.808 1.00 33.51 H new ATOM 0 HZ1 LYS A 128 -11.737 20.506 -2.605 1.00 13.14 H new ATOM 0 HZ2 LYS A 128 -11.903 21.625 -1.338 1.00 13.14 H new ATOM 0 HZ3 LYS A 128 -10.425 20.824 -1.575 1.00 13.14 H new ATOM 1860 N ASP A 129 -15.981 16.277 1.759 1.00 4.14 N ATOM 1861 CA ASP A 129 -17.387 15.906 1.637 1.00 22.15 C ATOM 1862 C ASP A 129 -17.950 15.580 3.013 1.00 61.43 C ATOM 1863 O ASP A 129 -19.156 15.574 3.212 1.00 72.00 O ATOM 1864 CB ASP A 129 -17.537 14.636 0.772 1.00 35.42 C ATOM 1865 CG ASP A 129 -17.106 14.790 -0.662 1.00 13.15 C ATOM 1866 OD1 ASP A 129 -15.936 14.473 -0.987 1.00 10.01 O ATOM 1867 OD2 ASP A 129 -17.929 15.185 -1.500 1.00 22.14 O ATOM 0 H ASP A 129 -15.344 15.598 1.342 1.00 4.14 H new ATOM 0 HA ASP A 129 -17.917 16.742 1.181 1.00 22.15 H new ATOM 0 HB2 ASP A 129 -16.955 13.834 1.227 1.00 35.42 H new ATOM 0 HB3 ASP A 129 -18.581 14.323 0.791 1.00 35.42 H new ATOM 1872 N GLY A 130 -17.060 15.327 3.966 1.00 31.14 N ATOM 1873 CA GLY A 130 -17.481 15.029 5.320 1.00 41.34 C ATOM 1874 C GLY A 130 -17.414 13.550 5.607 1.00 42.41 C ATOM 1875 O GLY A 130 -17.640 13.108 6.730 1.00 34.32 O ATOM 0 H GLY A 130 -16.050 15.323 3.823 1.00 31.14 H new ATOM 0 HA2 GLY A 130 -16.848 15.567 6.026 1.00 41.34 H new ATOM 0 HA3 GLY A 130 -18.500 15.384 5.472 1.00 41.34 H new ATOM 1879 N SER A 131 -17.134 12.795 4.590 1.00 22.00 N ATOM 1880 CA SER A 131 -17.009 11.381 4.687 1.00 1.31 C ATOM 1881 C SER A 131 -15.522 11.004 4.655 1.00 65.52 C ATOM 1882 O SER A 131 -14.653 11.870 4.555 1.00 62.42 O ATOM 1883 CB SER A 131 -17.732 10.766 3.494 1.00 15.21 C ATOM 1884 OG SER A 131 -19.049 11.288 3.381 1.00 50.10 O ATOM 0 H SER A 131 -16.983 13.158 3.649 1.00 22.00 H new ATOM 0 HA SER A 131 -17.443 11.013 5.617 1.00 1.31 H new ATOM 0 HB2 SER A 131 -17.175 10.971 2.580 1.00 15.21 H new ATOM 0 HB3 SER A 131 -17.773 9.683 3.606 1.00 15.21 H new ATOM 0 HG SER A 131 -19.496 10.883 2.609 1.00 50.10 H new ATOM 1890 N CYS A 132 -15.245 9.745 4.727 1.00 25.12 N ATOM 1891 CA CYS A 132 -13.899 9.233 4.610 1.00 3.35 C ATOM 1892 C CYS A 132 -13.928 8.092 3.617 1.00 53.12 C ATOM 1893 O CYS A 132 -14.921 7.346 3.568 1.00 44.25 O ATOM 1894 CB CYS A 132 -13.378 8.771 5.974 1.00 73.53 C ATOM 1895 SG CYS A 132 -13.286 10.095 7.202 1.00 23.10 S ATOM 0 H CYS A 132 -15.951 9.023 4.871 1.00 25.12 H new ATOM 0 HA CYS A 132 -13.221 10.012 4.260 1.00 3.35 H new ATOM 0 HB2 CYS A 132 -14.026 7.981 6.352 1.00 73.53 H new ATOM 0 HB3 CYS A 132 -12.387 8.336 5.846 1.00 73.53 H new ATOM 0 HG CYS A 132 -13.755 9.668 8.337 1.00 23.10 H new ATOM 1901 N TRP A 133 -12.910 7.964 2.795 1.00 43.52 N ATOM 1902 CA TRP A 133 -12.931 6.936 1.788 1.00 74.25 C ATOM 1903 C TRP A 133 -11.524 6.479 1.492 1.00 51.10 C ATOM 1904 O TRP A 133 -10.562 7.219 1.732 1.00 64.13 O ATOM 1905 CB TRP A 133 -13.606 7.470 0.521 1.00 50.31 C ATOM 1906 CG TRP A 133 -14.263 6.410 -0.303 1.00 74.52 C ATOM 1907 CD1 TRP A 133 -15.211 5.549 0.129 1.00 52.52 C ATOM 1908 CD2 TRP A 133 -14.065 6.118 -1.694 1.00 41.42 C ATOM 1909 NE1 TRP A 133 -15.610 4.738 -0.881 1.00 54.32 N ATOM 1910 CE2 TRP A 133 -14.930 5.064 -2.016 1.00 33.12 C ATOM 1911 CE3 TRP A 133 -13.251 6.637 -2.694 1.00 64.30 C ATOM 1912 CZ2 TRP A 133 -15.006 4.520 -3.291 1.00 32.24 C ATOM 1913 CZ3 TRP A 133 -13.325 6.098 -3.960 1.00 22.43 C ATOM 1914 CH2 TRP A 133 -14.198 5.050 -4.247 1.00 61.01 C ATOM 0 H TRP A 133 -12.074 8.548 2.805 1.00 43.52 H new ATOM 0 HA TRP A 133 -13.501 6.081 2.152 1.00 74.25 H new ATOM 0 HB2 TRP A 133 -14.352 8.213 0.803 1.00 50.31 H new ATOM 0 HB3 TRP A 133 -12.861 7.982 -0.088 1.00 50.31 H new ATOM 0 HD1 TRP A 133 -15.596 5.512 1.137 1.00 52.52 H new ATOM 0 HE1 TRP A 133 -16.309 4.000 -0.804 1.00 54.32 H new ATOM 0 HE3 TRP A 133 -12.572 7.449 -2.482 1.00 64.30 H new ATOM 0 HZ2 TRP A 133 -15.681 3.707 -3.515 1.00 32.24 H new ATOM 0 HZ3 TRP A 133 -12.696 6.494 -4.743 1.00 22.43 H new ATOM 0 HH2 TRP A 133 -14.233 4.651 -5.250 1.00 61.01 H new ATOM 1925 N LEU A 134 -11.395 5.268 1.019 1.00 65.34 N ATOM 1926 CA LEU A 134 -10.116 4.728 0.664 1.00 34.11 C ATOM 1927 C LEU A 134 -9.665 5.355 -0.619 1.00 70.43 C ATOM 1928 O LEU A 134 -10.352 5.285 -1.632 1.00 20.52 O ATOM 1929 CB LEU A 134 -10.134 3.196 0.518 1.00 1.24 C ATOM 1930 CG LEU A 134 -10.316 2.351 1.791 1.00 2.32 C ATOM 1931 CD1 LEU A 134 -11.719 2.461 2.372 1.00 1.34 C ATOM 1932 CD2 LEU A 134 -9.957 0.910 1.505 1.00 70.15 C ATOM 0 H LEU A 134 -12.177 4.630 0.870 1.00 65.34 H new ATOM 0 HA LEU A 134 -9.423 4.958 1.473 1.00 34.11 H new ATOM 0 HB2 LEU A 134 -10.936 2.936 -0.173 1.00 1.24 H new ATOM 0 HB3 LEU A 134 -9.198 2.894 0.048 1.00 1.24 H new ATOM 0 HG LEU A 134 -9.640 2.747 2.549 1.00 2.32 H new ATOM 0 HD11 LEU A 134 -11.791 1.845 3.268 1.00 1.34 H new ATOM 0 HD12 LEU A 134 -11.926 3.500 2.628 1.00 1.34 H new ATOM 0 HD13 LEU A 134 -12.446 2.117 1.636 1.00 1.34 H new ATOM 0 HD21 LEU A 134 -10.088 0.316 2.410 1.00 70.15 H new ATOM 0 HD22 LEU A 134 -10.606 0.522 0.720 1.00 70.15 H new ATOM 0 HD23 LEU A 134 -8.918 0.852 1.179 1.00 70.15 H new ATOM 1944 N HIS A 135 -8.530 5.968 -0.569 1.00 71.25 N ATOM 1945 CA HIS A 135 -7.992 6.658 -1.693 1.00 74.30 C ATOM 1946 C HIS A 135 -7.436 5.631 -2.657 1.00 34.40 C ATOM 1947 O HIS A 135 -7.809 5.576 -3.834 1.00 32.54 O ATOM 1948 CB HIS A 135 -6.889 7.636 -1.221 1.00 53.51 C ATOM 1949 CG HIS A 135 -6.326 8.540 -2.279 1.00 20.52 C ATOM 1950 ND1 HIS A 135 -6.817 9.799 -2.553 1.00 62.12 N ATOM 1951 CD2 HIS A 135 -5.264 8.368 -3.106 1.00 2.40 C ATOM 1952 CE1 HIS A 135 -6.063 10.338 -3.509 1.00 13.31 C ATOM 1953 NE2 HIS A 135 -5.099 9.508 -3.882 1.00 1.44 N ATOM 0 H HIS A 135 -7.943 6.004 0.264 1.00 71.25 H new ATOM 0 HA HIS A 135 -8.763 7.241 -2.196 1.00 74.30 H new ATOM 0 HB2 HIS A 135 -7.295 8.253 -0.420 1.00 53.51 H new ATOM 0 HB3 HIS A 135 -6.072 7.055 -0.793 1.00 53.51 H new ATOM 0 HD2 HIS A 135 -4.645 7.484 -3.153 1.00 2.40 H new ATOM 0 HE1 HIS A 135 -6.217 11.322 -3.926 1.00 13.31 H new ATOM 0 HE2 HIS A 135 -4.385 9.672 -4.591 1.00 1.44 H new ATOM 1961 N SER A 136 -6.595 4.782 -2.133 1.00 42.34 N ATOM 1962 CA SER A 136 -5.919 3.757 -2.892 1.00 24.11 C ATOM 1963 C SER A 136 -5.296 2.828 -1.892 1.00 20.41 C ATOM 1964 O SER A 136 -5.056 3.234 -0.776 1.00 50.22 O ATOM 1965 CB SER A 136 -4.791 4.358 -3.766 1.00 61.12 C ATOM 1966 OG SER A 136 -5.255 5.372 -4.657 1.00 64.45 O ATOM 0 H SER A 136 -6.353 4.781 -1.142 1.00 42.34 H new ATOM 0 HA SER A 136 -6.627 3.255 -3.551 1.00 24.11 H new ATOM 0 HB2 SER A 136 -4.021 4.776 -3.118 1.00 61.12 H new ATOM 0 HB3 SER A 136 -4.323 3.561 -4.344 1.00 61.12 H new ATOM 0 HG SER A 136 -6.227 5.300 -4.756 1.00 64.45 H new ATOM 1972 N VAL A 137 -5.070 1.604 -2.238 1.00 32.04 N ATOM 1973 CA VAL A 137 -4.372 0.717 -1.356 1.00 24.14 C ATOM 1974 C VAL A 137 -3.406 -0.094 -2.197 1.00 2.35 C ATOM 1975 O VAL A 137 -3.720 -0.467 -3.310 1.00 11.44 O ATOM 1976 CB VAL A 137 -5.300 -0.215 -0.481 1.00 55.30 C ATOM 1977 CG1 VAL A 137 -6.422 0.541 0.218 1.00 62.44 C ATOM 1978 CG2 VAL A 137 -5.848 -1.379 -1.238 1.00 55.24 C ATOM 0 H VAL A 137 -5.357 1.191 -3.125 1.00 32.04 H new ATOM 0 HA VAL A 137 -3.848 1.323 -0.617 1.00 24.14 H new ATOM 0 HB VAL A 137 -4.638 -0.608 0.291 1.00 55.30 H new ATOM 0 HG11 VAL A 137 -7.022 -0.157 0.802 1.00 62.44 H new ATOM 0 HG12 VAL A 137 -5.996 1.295 0.880 1.00 62.44 H new ATOM 0 HG13 VAL A 137 -7.052 1.027 -0.527 1.00 62.44 H new ATOM 0 HG21 VAL A 137 -6.476 -1.978 -0.579 1.00 55.24 H new ATOM 0 HG22 VAL A 137 -6.442 -1.019 -2.078 1.00 55.24 H new ATOM 0 HG23 VAL A 137 -5.026 -1.990 -1.610 1.00 55.24 H new ATOM 1988 N LYS A 138 -2.249 -0.303 -1.704 1.00 4.42 N ATOM 1989 CA LYS A 138 -1.219 -0.979 -2.431 1.00 44.11 C ATOM 1990 C LYS A 138 -0.893 -2.289 -1.763 1.00 11.54 C ATOM 1991 O LYS A 138 -0.826 -2.357 -0.546 1.00 63.32 O ATOM 1992 CB LYS A 138 0.031 -0.115 -2.431 1.00 45.33 C ATOM 1993 CG LYS A 138 1.178 -0.672 -3.254 1.00 64.34 C ATOM 1994 CD LYS A 138 2.502 -0.036 -2.864 1.00 2.45 C ATOM 1995 CE LYS A 138 2.495 1.467 -3.031 1.00 21.12 C ATOM 1996 NZ LYS A 138 3.742 2.060 -2.529 1.00 1.53 N ATOM 0 H LYS A 138 -1.973 -0.009 -0.767 1.00 4.42 H new ATOM 0 HA LYS A 138 -1.561 -1.162 -3.450 1.00 44.11 H new ATOM 0 HB2 LYS A 138 -0.226 0.874 -2.810 1.00 45.33 H new ATOM 0 HB3 LYS A 138 0.368 0.016 -1.403 1.00 45.33 H new ATOM 0 HG2 LYS A 138 1.237 -1.752 -3.115 1.00 64.34 H new ATOM 0 HG3 LYS A 138 0.987 -0.497 -4.313 1.00 64.34 H new ATOM 0 HD2 LYS A 138 2.728 -0.282 -1.826 1.00 2.45 H new ATOM 0 HD3 LYS A 138 3.299 -0.462 -3.473 1.00 2.45 H new ATOM 0 HE2 LYS A 138 2.367 1.719 -4.084 1.00 21.12 H new ATOM 0 HE3 LYS A 138 1.645 1.892 -2.496 1.00 21.12 H new ATOM 0 HZ1 LYS A 138 3.819 3.042 -2.863 1.00 1.53 H new ATOM 0 HZ2 LYS A 138 3.738 2.047 -1.489 1.00 1.53 H new ATOM 0 HZ3 LYS A 138 4.553 1.511 -2.879 1.00 1.53 H new ATOM 2010 N PHE A 139 -0.689 -3.306 -2.543 1.00 12.51 N ATOM 2011 CA PHE A 139 -0.265 -4.575 -2.046 1.00 23.23 C ATOM 2012 C PHE A 139 0.968 -4.959 -2.777 1.00 42.30 C ATOM 2013 O PHE A 139 0.972 -5.035 -4.007 1.00 3.53 O ATOM 2014 CB PHE A 139 -1.323 -5.644 -2.237 1.00 20.13 C ATOM 2015 CG PHE A 139 -2.595 -5.329 -1.552 1.00 72.11 C ATOM 2016 CD1 PHE A 139 -3.734 -5.071 -2.271 1.00 5.35 C ATOM 2017 CD2 PHE A 139 -2.638 -5.261 -0.184 1.00 12.31 C ATOM 2018 CE1 PHE A 139 -4.905 -4.752 -1.617 1.00 71.21 C ATOM 2019 CE2 PHE A 139 -3.795 -4.945 0.475 1.00 22.25 C ATOM 2020 CZ PHE A 139 -4.935 -4.689 -0.240 1.00 11.21 C ATOM 0 H PHE A 139 -0.814 -3.276 -3.555 1.00 12.51 H new ATOM 0 HA PHE A 139 -0.083 -4.492 -0.974 1.00 23.23 H new ATOM 0 HB2 PHE A 139 -1.513 -5.773 -3.303 1.00 20.13 H new ATOM 0 HB3 PHE A 139 -0.942 -6.595 -1.864 1.00 20.13 H new ATOM 0 HD1 PHE A 139 -3.714 -5.118 -3.350 1.00 5.35 H new ATOM 0 HD2 PHE A 139 -1.742 -5.461 0.385 1.00 12.31 H new ATOM 0 HE1 PHE A 139 -5.801 -4.551 -2.185 1.00 71.21 H new ATOM 0 HE2 PHE A 139 -3.809 -4.898 1.554 1.00 22.25 H new ATOM 0 HZ PHE A 139 -5.852 -4.439 0.272 1.00 11.21 H new ATOM 2030 N ILE A 140 2.004 -5.166 -2.068 1.00 43.52 N ATOM 2031 CA ILE A 140 3.238 -5.520 -2.669 1.00 62.42 C ATOM 2032 C ILE A 140 3.777 -6.744 -1.997 1.00 51.51 C ATOM 2033 O ILE A 140 4.374 -6.692 -0.922 1.00 45.03 O ATOM 2034 CB ILE A 140 4.265 -4.341 -2.672 1.00 73.13 C ATOM 2035 CG1 ILE A 140 4.333 -3.639 -1.302 1.00 5.54 C ATOM 2036 CG2 ILE A 140 3.968 -3.350 -3.792 1.00 2.14 C ATOM 2037 CD1 ILE A 140 5.335 -2.501 -1.221 1.00 30.11 C ATOM 0 H ILE A 140 2.028 -5.097 -1.051 1.00 43.52 H new ATOM 0 HA ILE A 140 3.061 -5.745 -3.721 1.00 62.42 H new ATOM 0 HB ILE A 140 5.249 -4.769 -2.863 1.00 73.13 H new ATOM 0 HG12 ILE A 140 3.344 -3.252 -1.058 1.00 5.54 H new ATOM 0 HG13 ILE A 140 4.582 -4.379 -0.542 1.00 5.54 H new ATOM 0 HG21 ILE A 140 4.700 -2.542 -3.767 1.00 2.14 H new ATOM 0 HG22 ILE A 140 4.024 -3.860 -4.754 1.00 2.14 H new ATOM 0 HG23 ILE A 140 2.968 -2.938 -3.657 1.00 2.14 H new ATOM 0 HD11 ILE A 140 5.313 -2.067 -0.221 1.00 30.11 H new ATOM 0 HD12 ILE A 140 6.335 -2.881 -1.430 1.00 30.11 H new ATOM 0 HD13 ILE A 140 5.077 -1.736 -1.954 1.00 30.11 H new ATOM 2049 N MET A 141 3.533 -7.853 -2.610 1.00 12.14 N ATOM 2050 CA MET A 141 3.932 -9.109 -2.054 1.00 72.22 C ATOM 2051 C MET A 141 5.321 -9.466 -2.462 1.00 0.33 C ATOM 2052 O MET A 141 5.720 -9.224 -3.609 1.00 43.22 O ATOM 2053 CB MET A 141 2.943 -10.261 -2.373 1.00 71.51 C ATOM 2054 CG MET A 141 2.630 -10.499 -3.849 1.00 45.14 C ATOM 2055 SD MET A 141 1.587 -9.209 -4.577 1.00 1.20 S ATOM 2056 CE MET A 141 0.103 -9.363 -3.572 1.00 12.43 C ATOM 0 H MET A 141 3.053 -7.918 -3.508 1.00 12.14 H new ATOM 0 HA MET A 141 3.913 -8.980 -0.972 1.00 72.22 H new ATOM 0 HB2 MET A 141 3.348 -11.184 -1.957 1.00 71.51 H new ATOM 0 HB3 MET A 141 2.006 -10.061 -1.853 1.00 71.51 H new ATOM 0 HG2 MET A 141 3.565 -10.558 -4.407 1.00 45.14 H new ATOM 0 HG3 MET A 141 2.133 -11.463 -3.957 1.00 45.14 H new ATOM 0 HE1 MET A 141 -0.778 -9.250 -4.204 1.00 12.43 H new ATOM 0 HE2 MET A 141 0.085 -10.344 -3.097 1.00 12.43 H new ATOM 0 HE3 MET A 141 0.101 -8.589 -2.805 1.00 12.43 H new ATOM 2066 N SER A 142 6.072 -9.959 -1.494 1.00 3.32 N ATOM 2067 CA SER A 142 7.423 -10.464 -1.700 1.00 75.41 C ATOM 2068 C SER A 142 8.407 -9.327 -1.983 1.00 72.41 C ATOM 2069 O SER A 142 9.182 -9.378 -2.939 1.00 4.31 O ATOM 2070 CB SER A 142 7.450 -11.554 -2.818 1.00 14.02 C ATOM 2071 OG SER A 142 8.774 -12.028 -3.088 1.00 71.42 O ATOM 0 H SER A 142 5.758 -10.022 -0.526 1.00 3.32 H new ATOM 0 HA SER A 142 7.748 -10.941 -0.775 1.00 75.41 H new ATOM 0 HB2 SER A 142 6.821 -12.393 -2.519 1.00 14.02 H new ATOM 0 HB3 SER A 142 7.021 -11.144 -3.732 1.00 14.02 H new ATOM 0 HG SER A 142 9.355 -11.270 -3.307 1.00 71.42 H new ATOM 2077 N LYS A 143 8.370 -8.319 -1.165 1.00 11.22 N ATOM 2078 CA LYS A 143 9.306 -7.233 -1.263 1.00 4.33 C ATOM 2079 C LYS A 143 10.361 -7.414 -0.196 1.00 61.05 C ATOM 2080 O LYS A 143 10.072 -7.941 0.880 1.00 1.14 O ATOM 2081 CB LYS A 143 8.616 -5.863 -1.127 1.00 44.44 C ATOM 2082 CG LYS A 143 8.258 -5.120 -2.443 1.00 2.30 C ATOM 2083 CD LYS A 143 7.277 -5.852 -3.378 1.00 55.15 C ATOM 2084 CE LYS A 143 7.953 -6.827 -4.337 1.00 45.41 C ATOM 2085 NZ LYS A 143 6.972 -7.461 -5.258 1.00 72.30 N ATOM 0 H LYS A 143 7.691 -8.223 -0.410 1.00 11.22 H new ATOM 0 HA LYS A 143 9.766 -7.249 -2.251 1.00 4.33 H new ATOM 0 HB2 LYS A 143 7.698 -6.001 -0.556 1.00 44.44 H new ATOM 0 HB3 LYS A 143 9.264 -5.214 -0.537 1.00 44.44 H new ATOM 0 HG2 LYS A 143 7.832 -4.150 -2.187 1.00 2.30 H new ATOM 0 HG3 LYS A 143 9.180 -4.928 -2.992 1.00 2.30 H new ATOM 0 HD2 LYS A 143 6.551 -6.396 -2.774 1.00 55.15 H new ATOM 0 HD3 LYS A 143 6.722 -5.114 -3.957 1.00 55.15 H new ATOM 0 HE2 LYS A 143 8.710 -6.300 -4.918 1.00 45.41 H new ATOM 0 HE3 LYS A 143 8.469 -7.600 -3.767 1.00 45.41 H new ATOM 0 HZ1 LYS A 143 7.414 -7.608 -6.188 1.00 72.30 H new ATOM 0 HZ2 LYS A 143 6.672 -8.377 -4.868 1.00 72.30 H new ATOM 0 HZ3 LYS A 143 6.143 -6.841 -5.363 1.00 72.30 H new