USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 867 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 16 TYR OH : rot -179:sc= 0.728 USER MOD Set 1.2: A 32 ASN : amide:sc= -3.58 K(o=-4,f=-2.9) USER MOD Set 1.3: A 115 ASN : amide:sc= -1.13 K(o=-4,f=-5.5) USER MOD Set 2.1: A 105 THR OG1 : rot 128:sc= 0.993 USER MOD Set 2.2: A 107 THR OG1 : rot 180:sc= 0.866 USER MOD Set 3.1: A 81 THR OG1 : rot 170:sc= -1.75! USER MOD Set 3.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 49 HIS : no HE2:sc= -0.83 K(o=-0.83,f=-6.8!) USER MOD Set 4.2: A 84 SER OG : rot 170:sc= 0 USER MOD Set 5.1: A 14 LYS NZ :NH3+ 175:sc= -1.38 (180deg=-1.07) USER MOD Set 5.2: A 109 ASN : amide:sc= -0.743 X(o=-2.1,f=-2.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.56 (180deg=-1.67) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 150:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0918 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= -1.42 X(o=-1.4,f=-1.5) USER MOD Single : A 31 ASN : amide:sc= -3.07 K(o=-3.1,f=-4) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 28:sc= 0.0217 USER MOD Single : A 45 CYS SG : rot 180:sc= -0.246 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -25:sc= 0.773 USER MOD Single : A 48 CYS SG : rot -109:sc= 0.0795 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot -127:sc= 0.387 USER MOD Single : A 62 GLN : amide:sc= 0.00246 X(o=0.0025,f=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.45 K(o=-1.5,f=-0.47) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 2:sc= 0.25 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 178:sc= 0.62 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 CYS SG : rot 36:sc= 0.11 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 1.196 0.329 -2.432 1.00 25.13 C ATOM 4 O MET A 1 0.892 -0.524 -3.265 1.00 70.44 O ATOM 5 CB MET A 1 2.762 -1.360 -1.454 1.00 74.30 C ATOM 6 CG MET A 1 1.810 -2.536 -1.302 1.00 51.14 C ATOM 7 SD MET A 1 1.809 -3.218 0.367 1.00 63.14 S ATOM 8 CE MET A 1 0.153 -3.894 0.455 1.00 21.34 C ATOM 0 H1 MET A 1 1.710 0.724 0.642 1.00 0.00 H new ATOM 0 H2 MET A 1 0.332 0.210 -0.206 1.00 0.00 H new ATOM 0 H3 MET A 1 1.399 -0.934 0.452 1.00 0.00 H new ATOM 0 HA MET A 1 2.863 0.766 -1.166 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.204 -1.387 -2.450 1.00 74.30 H new ATOM 0 HB3 MET A 1 3.578 -1.469 -0.740 1.00 74.30 H new ATOM 0 HG2 MET A 1 0.800 -2.217 -1.560 1.00 51.14 H new ATOM 0 HG3 MET A 1 2.088 -3.317 -2.009 1.00 51.14 H new ATOM 0 HE1 MET A 1 -0.001 -4.353 1.432 1.00 21.34 H new ATOM 0 HE2 MET A 1 -0.574 -3.095 0.310 1.00 21.34 H new ATOM 0 HE3 MET A 1 0.025 -4.646 -0.323 1.00 21.34 H new ATOM 18 N PRO A 2 0.763 1.595 -2.514 1.00 53.41 N ATOM 19 CA PRO A 2 -0.105 2.066 -3.598 1.00 3.20 C ATOM 20 C PRO A 2 0.621 2.124 -4.938 1.00 2.33 C ATOM 21 O PRO A 2 1.741 1.628 -5.071 1.00 13.21 O ATOM 22 CB PRO A 2 -0.506 3.472 -3.146 1.00 10.42 C ATOM 23 CG PRO A 2 0.597 3.910 -2.244 1.00 75.53 C ATOM 24 CD PRO A 2 1.086 2.666 -1.556 1.00 21.43 C ATOM 0 HA PRO A 2 -0.951 1.399 -3.762 1.00 3.20 H new ATOM 0 HB2 PRO A 2 -0.613 4.146 -3.996 1.00 10.42 H new ATOM 0 HB3 PRO A 2 -1.463 3.462 -2.625 1.00 10.42 H new ATOM 0 HG2 PRO A 2 1.399 4.384 -2.810 1.00 75.53 H new ATOM 0 HG3 PRO A 2 0.241 4.643 -1.520 1.00 75.53 H new ATOM 0 HD2 PRO A 2 2.156 2.714 -1.353 1.00 21.43 H new ATOM 0 HD3 PRO A 2 0.586 2.513 -0.599 1.00 21.43 H new ATOM 32 N LEU A 3 -0.022 2.733 -5.928 1.00 10.12 N ATOM 33 CA LEU A 3 0.563 2.857 -7.258 1.00 61.24 C ATOM 34 C LEU A 3 0.666 4.321 -7.674 1.00 62.30 C ATOM 35 O LEU A 3 -0.223 5.122 -7.385 1.00 42.20 O ATOM 36 CB LEU A 3 -0.273 2.083 -8.279 1.00 35.12 C ATOM 37 CG LEU A 3 0.020 2.379 -9.750 1.00 62.50 C ATOM 38 CD1 LEU A 3 1.400 1.867 -10.132 1.00 64.32 C ATOM 39 CD2 LEU A 3 -1.046 1.759 -10.642 1.00 11.13 C ATOM 0 H LEU A 3 -0.949 3.149 -5.835 1.00 10.12 H new ATOM 0 HA LEU A 3 1.568 2.436 -7.226 1.00 61.24 H new ATOM 0 HB2 LEU A 3 -0.124 1.017 -8.107 1.00 35.12 H new ATOM 0 HB3 LEU A 3 -1.326 2.292 -8.090 1.00 35.12 H new ATOM 0 HG LEU A 3 0.002 3.459 -9.894 1.00 62.50 H new ATOM 0 HD11 LEU A 3 1.592 2.086 -11.182 1.00 64.32 H new ATOM 0 HD12 LEU A 3 2.153 2.357 -9.516 1.00 64.32 H new ATOM 0 HD13 LEU A 3 1.446 0.790 -9.972 1.00 64.32 H new ATOM 0 HD21 LEU A 3 -0.821 1.980 -11.685 1.00 11.13 H new ATOM 0 HD22 LEU A 3 -1.061 0.679 -10.495 1.00 11.13 H new ATOM 0 HD23 LEU A 3 -2.021 2.173 -10.386 1.00 11.13 H new ATOM 51 N ILE A 4 1.755 4.662 -8.355 1.00 21.31 N ATOM 52 CA ILE A 4 1.972 6.028 -8.813 1.00 42.30 C ATOM 53 C ILE A 4 2.169 6.077 -10.324 1.00 61.34 C ATOM 54 O ILE A 4 2.926 5.287 -10.889 1.00 63.52 O ATOM 55 CB ILE A 4 3.195 6.665 -8.127 1.00 23.43 C ATOM 56 CG1 ILE A 4 3.160 6.395 -6.621 1.00 64.40 C ATOM 57 CG2 ILE A 4 3.238 8.160 -8.401 1.00 42.42 C ATOM 58 CD1 ILE A 4 1.852 6.783 -5.968 1.00 24.23 C ATOM 0 H ILE A 4 2.500 4.011 -8.601 1.00 21.31 H new ATOM 0 HA ILE A 4 1.080 6.595 -8.546 1.00 42.30 H new ATOM 0 HB ILE A 4 4.099 6.214 -8.538 1.00 23.43 H new ATOM 0 HG12 ILE A 4 3.344 5.335 -6.446 1.00 64.40 H new ATOM 0 HG13 ILE A 4 3.972 6.943 -6.143 1.00 64.40 H new ATOM 0 HG21 ILE A 4 4.108 8.595 -7.909 1.00 42.42 H new ATOM 0 HG22 ILE A 4 3.305 8.331 -9.475 1.00 42.42 H new ATOM 0 HG23 ILE A 4 2.332 8.627 -8.015 1.00 42.42 H new ATOM 0 HD11 ILE A 4 1.899 6.564 -4.901 1.00 24.23 H new ATOM 0 HD12 ILE A 4 1.676 7.849 -6.112 1.00 24.23 H new ATOM 0 HD13 ILE A 4 1.038 6.216 -6.419 1.00 24.23 H new ATOM 70 N THR A 5 1.483 7.011 -10.976 1.00 4.24 N ATOM 71 CA THR A 5 1.583 7.164 -12.421 1.00 51.15 C ATOM 72 C THR A 5 2.666 8.169 -12.795 1.00 4.21 C ATOM 73 O THR A 5 2.545 9.361 -12.512 1.00 44.42 O ATOM 74 CB THR A 5 0.244 7.619 -13.032 1.00 11.43 C ATOM 75 OG1 THR A 5 -0.772 6.647 -12.764 1.00 35.02 O ATOM 76 CG2 THR A 5 0.375 7.823 -14.534 1.00 20.24 C ATOM 0 H THR A 5 0.852 7.673 -10.525 1.00 4.24 H new ATOM 0 HA THR A 5 1.845 6.186 -12.824 1.00 51.15 H new ATOM 0 HB THR A 5 -0.034 8.569 -12.576 1.00 11.43 H new ATOM 0 HG1 THR A 5 -1.620 6.944 -13.154 1.00 35.02 H new ATOM 0 HG21 THR A 5 -0.583 8.144 -14.943 1.00 20.24 H new ATOM 0 HG22 THR A 5 1.128 8.585 -14.733 1.00 20.24 H new ATOM 0 HG23 THR A 5 0.674 6.886 -15.004 1.00 20.24 H new ATOM 84 N PHE A 6 3.725 7.681 -13.432 1.00 45.13 N ATOM 85 CA PHE A 6 4.831 8.538 -13.844 1.00 64.55 C ATOM 86 C PHE A 6 4.680 8.957 -15.304 1.00 31.22 C ATOM 87 O PHE A 6 4.709 8.120 -16.207 1.00 52.30 O ATOM 88 CB PHE A 6 6.165 7.815 -13.646 1.00 4.05 C ATOM 89 CG PHE A 6 6.369 7.306 -12.247 1.00 53.01 C ATOM 90 CD1 PHE A 6 6.082 8.109 -11.155 1.00 5.01 C ATOM 91 CD2 PHE A 6 6.847 6.025 -12.025 1.00 34.41 C ATOM 92 CE1 PHE A 6 6.268 7.644 -9.867 1.00 21.43 C ATOM 93 CE2 PHE A 6 7.034 5.554 -10.739 1.00 73.41 C ATOM 94 CZ PHE A 6 6.745 6.364 -9.659 1.00 3.43 C ATOM 0 H PHE A 6 3.841 6.697 -13.674 1.00 45.13 H new ATOM 0 HA PHE A 6 4.814 9.434 -13.223 1.00 64.55 H new ATOM 0 HB2 PHE A 6 6.222 6.977 -14.341 1.00 4.05 H new ATOM 0 HB3 PHE A 6 6.979 8.495 -13.899 1.00 4.05 H new ATOM 0 HD1 PHE A 6 5.709 9.110 -11.312 1.00 5.01 H new ATOM 0 HD2 PHE A 6 7.076 5.387 -12.866 1.00 34.41 H new ATOM 0 HE1 PHE A 6 6.041 8.280 -9.024 1.00 21.43 H new ATOM 0 HE2 PHE A 6 7.406 4.553 -10.579 1.00 73.41 H new ATOM 0 HZ PHE A 6 6.891 5.998 -8.654 1.00 3.43 H new ATOM 104 N ILE A 7 4.518 10.257 -15.526 1.00 31.32 N ATOM 105 CA ILE A 7 4.362 10.787 -16.875 1.00 4.35 C ATOM 106 C ILE A 7 5.713 11.152 -17.481 1.00 1.42 C ATOM 107 O ILE A 7 6.594 11.669 -16.794 1.00 22.13 O ATOM 108 CB ILE A 7 3.453 12.030 -16.889 1.00 51.11 C ATOM 109 CG1 ILE A 7 2.185 11.771 -16.072 1.00 44.12 C ATOM 110 CG2 ILE A 7 3.099 12.411 -18.319 1.00 64.00 C ATOM 111 CD1 ILE A 7 2.309 12.177 -14.620 1.00 53.33 C ATOM 0 H ILE A 7 4.491 10.962 -14.790 1.00 31.32 H new ATOM 0 HA ILE A 7 3.899 10.001 -17.472 1.00 4.35 H new ATOM 0 HB ILE A 7 3.992 12.861 -16.435 1.00 51.11 H new ATOM 0 HG12 ILE A 7 1.354 12.314 -16.523 1.00 44.12 H new ATOM 0 HG13 ILE A 7 1.939 10.711 -16.125 1.00 44.12 H new ATOM 0 HG21 ILE A 7 2.456 13.291 -18.312 1.00 64.00 H new ATOM 0 HG22 ILE A 7 4.011 12.632 -18.873 1.00 64.00 H new ATOM 0 HG23 ILE A 7 2.576 11.583 -18.797 1.00 64.00 H new ATOM 0 HD11 ILE A 7 1.374 11.965 -14.102 1.00 53.33 H new ATOM 0 HD12 ILE A 7 3.118 11.615 -14.153 1.00 53.33 H new ATOM 0 HD13 ILE A 7 2.525 13.244 -14.558 1.00 53.33 H new ATOM 123 N SER A 8 5.868 10.882 -18.773 1.00 1.11 N ATOM 124 CA SER A 8 7.112 11.180 -19.472 1.00 44.34 C ATOM 125 C SER A 8 6.990 12.475 -20.271 1.00 71.50 C ATOM 126 O SER A 8 5.894 12.945 -20.575 1.00 74.13 O ATOM 127 CB SER A 8 7.488 10.026 -20.404 1.00 54.31 C ATOM 128 OG SER A 8 8.294 9.072 -19.735 1.00 14.02 O ATOM 0 H SER A 8 5.147 10.457 -19.357 1.00 1.11 H new ATOM 0 HA SER A 8 7.897 11.306 -18.726 1.00 44.34 H new ATOM 0 HB2 SER A 8 6.583 9.545 -20.776 1.00 54.31 H new ATOM 0 HB3 SER A 8 8.022 10.414 -21.271 1.00 54.31 H new ATOM 0 HG SER A 8 8.519 8.344 -20.351 1.00 14.02 H new ATOM 134 N PRO A 9 8.143 13.065 -20.619 1.00 53.23 N ATOM 135 CA PRO A 9 8.192 14.313 -21.387 1.00 64.34 C ATOM 136 C PRO A 9 7.740 14.123 -22.831 1.00 70.12 C ATOM 137 O PRO A 9 7.383 15.085 -23.511 1.00 71.04 O ATOM 138 CB PRO A 9 9.672 14.701 -21.337 1.00 42.35 C ATOM 139 CG PRO A 9 10.395 13.415 -21.130 1.00 52.13 C ATOM 140 CD PRO A 9 9.486 12.560 -20.290 1.00 43.44 C ATOM 0 HA PRO A 9 7.524 15.071 -20.977 1.00 64.34 H new ATOM 0 HB2 PRO A 9 9.985 15.187 -22.261 1.00 42.35 H new ATOM 0 HB3 PRO A 9 9.870 15.401 -20.526 1.00 42.35 H new ATOM 0 HG2 PRO A 9 10.614 12.933 -22.083 1.00 52.13 H new ATOM 0 HG3 PRO A 9 11.349 13.580 -20.629 1.00 52.13 H new ATOM 0 HD2 PRO A 9 9.589 11.503 -20.535 1.00 43.44 H new ATOM 0 HD3 PRO A 9 9.705 12.664 -19.227 1.00 43.44 H new ATOM 148 N ASP A 10 7.757 12.877 -23.293 1.00 1.43 N ATOM 149 CA ASP A 10 7.347 12.561 -24.656 1.00 12.31 C ATOM 150 C ASP A 10 5.835 12.372 -24.739 1.00 4.25 C ATOM 151 O ASP A 10 5.271 12.271 -25.827 1.00 13.42 O ATOM 152 CB ASP A 10 8.059 11.299 -25.146 1.00 13.41 C ATOM 153 CG ASP A 10 9.525 11.542 -25.448 1.00 34.24 C ATOM 154 OD1 ASP A 10 9.897 12.711 -25.677 1.00 2.24 O ATOM 155 OD2 ASP A 10 10.299 10.562 -25.455 1.00 70.24 O ATOM 0 H ASP A 10 8.050 12.070 -22.743 1.00 1.43 H new ATOM 0 HA ASP A 10 7.626 13.398 -25.296 1.00 12.31 H new ATOM 0 HB2 ASP A 10 7.971 10.519 -24.390 1.00 13.41 H new ATOM 0 HB3 ASP A 10 7.562 10.930 -26.043 1.00 13.41 H new ATOM 160 N GLY A 11 5.186 12.324 -23.579 1.00 73.03 N ATOM 161 CA GLY A 11 3.746 12.146 -23.543 1.00 31.32 C ATOM 162 C GLY A 11 3.344 10.777 -23.031 1.00 60.41 C ATOM 163 O GLY A 11 2.176 10.539 -22.725 1.00 54.23 O ATOM 0 H GLY A 11 5.631 12.405 -22.665 1.00 73.03 H new ATOM 0 HA2 GLY A 11 3.304 12.913 -22.907 1.00 31.32 H new ATOM 0 HA3 GLY A 11 3.340 12.290 -24.544 1.00 31.32 H new ATOM 167 N SER A 12 4.314 9.873 -22.939 1.00 62.32 N ATOM 168 CA SER A 12 4.054 8.518 -22.466 1.00 64.14 C ATOM 169 C SER A 12 3.677 8.522 -20.988 1.00 64.50 C ATOM 170 O SER A 12 3.487 9.579 -20.387 1.00 41.13 O ATOM 171 CB SER A 12 5.282 7.633 -22.689 1.00 44.11 C ATOM 172 OG SER A 12 5.646 7.601 -24.058 1.00 43.02 O ATOM 0 H SER A 12 5.287 10.054 -23.186 1.00 62.32 H new ATOM 0 HA SER A 12 3.217 8.115 -23.035 1.00 64.14 H new ATOM 0 HB2 SER A 12 6.117 8.008 -22.096 1.00 44.11 H new ATOM 0 HB3 SER A 12 5.073 6.621 -22.341 1.00 44.11 H new ATOM 0 HG SER A 12 6.614 7.472 -24.136 1.00 43.02 H new ATOM 178 N ARG A 13 3.571 7.330 -20.408 1.00 42.41 N ATOM 179 CA ARG A 13 3.216 7.195 -19.001 1.00 32.13 C ATOM 180 C ARG A 13 3.502 5.782 -18.501 1.00 70.33 C ATOM 181 O ARG A 13 3.040 4.800 -19.083 1.00 55.22 O ATOM 182 CB ARG A 13 1.738 7.532 -18.791 1.00 64.00 C ATOM 183 CG ARG A 13 0.800 6.743 -19.690 1.00 43.41 C ATOM 184 CD ARG A 13 -0.576 7.386 -19.759 1.00 34.33 C ATOM 185 NE ARG A 13 -1.172 7.546 -18.435 1.00 11.21 N ATOM 186 CZ ARG A 13 -2.296 8.219 -18.211 1.00 65.32 C ATOM 187 NH1 ARG A 13 -2.942 8.790 -19.218 1.00 61.21 N ATOM 188 NH2 ARG A 13 -2.775 8.320 -16.978 1.00 41.51 N ATOM 0 H ARG A 13 3.726 6.445 -20.891 1.00 42.41 H new ATOM 0 HA ARG A 13 3.826 7.895 -18.430 1.00 32.13 H new ATOM 0 HB2 ARG A 13 1.475 7.343 -17.750 1.00 64.00 H new ATOM 0 HB3 ARG A 13 1.588 8.597 -18.969 1.00 64.00 H new ATOM 0 HG2 ARG A 13 1.223 6.678 -20.692 1.00 43.41 H new ATOM 0 HG3 ARG A 13 0.708 5.723 -19.316 1.00 43.41 H new ATOM 0 HD2 ARG A 13 -0.497 8.360 -20.241 1.00 34.33 H new ATOM 0 HD3 ARG A 13 -1.231 6.775 -20.380 1.00 34.33 H new ATOM 0 HE ARG A 13 -0.700 7.118 -17.639 1.00 11.21 H new ATOM 0 HH11 ARG A 13 -2.577 8.713 -20.167 1.00 61.21 H new ATOM 0 HH12 ARG A 13 -3.804 9.306 -19.044 1.00 61.21 H new ATOM 0 HH21 ARG A 13 -2.281 7.881 -16.201 1.00 41.51 H new ATOM 0 HH22 ARG A 13 -3.638 8.837 -16.807 1.00 41.51 H new ATOM 202 N LYS A 14 4.268 5.686 -17.420 1.00 30.21 N ATOM 203 CA LYS A 14 4.616 4.394 -16.841 1.00 22.25 C ATOM 204 C LYS A 14 3.779 4.112 -15.597 1.00 22.21 C ATOM 205 O LYS A 14 3.263 5.032 -14.961 1.00 70.51 O ATOM 206 CB LYS A 14 6.104 4.355 -16.486 1.00 45.22 C ATOM 207 CG LYS A 14 7.017 4.293 -17.699 1.00 1.23 C ATOM 208 CD LYS A 14 7.131 2.878 -18.239 1.00 23.40 C ATOM 209 CE LYS A 14 6.068 2.594 -19.289 1.00 50.30 C ATOM 210 NZ LYS A 14 6.542 1.618 -20.309 1.00 33.02 N ATOM 0 H LYS A 14 4.660 6.488 -16.927 1.00 30.21 H new ATOM 0 HA LYS A 14 4.405 3.623 -17.582 1.00 22.25 H new ATOM 0 HB2 LYS A 14 6.352 5.240 -15.899 1.00 45.22 H new ATOM 0 HB3 LYS A 14 6.295 3.489 -15.853 1.00 45.22 H new ATOM 0 HG2 LYS A 14 6.633 4.951 -18.479 1.00 1.23 H new ATOM 0 HG3 LYS A 14 8.007 4.662 -17.430 1.00 1.23 H new ATOM 0 HD2 LYS A 14 8.120 2.732 -18.673 1.00 23.40 H new ATOM 0 HD3 LYS A 14 7.034 2.166 -17.420 1.00 23.40 H new ATOM 0 HE2 LYS A 14 5.173 2.206 -18.803 1.00 50.30 H new ATOM 0 HE3 LYS A 14 5.786 3.525 -19.781 1.00 50.30 H new ATOM 0 HZ1 LYS A 14 5.762 1.387 -20.957 1.00 33.02 H new ATOM 0 HZ2 LYS A 14 7.328 2.034 -20.848 1.00 33.02 H new ATOM 0 HZ3 LYS A 14 6.867 0.751 -19.835 1.00 33.02 H new ATOM 224 N THR A 15 3.649 2.834 -15.254 1.00 4.05 N ATOM 225 CA THR A 15 2.876 2.431 -14.086 1.00 53.20 C ATOM 226 C THR A 15 3.637 1.411 -13.247 1.00 72.24 C ATOM 227 O THR A 15 3.876 0.286 -13.687 1.00 62.02 O ATOM 228 CB THR A 15 1.516 1.833 -14.492 1.00 72.35 C ATOM 229 OG1 THR A 15 0.753 2.801 -15.221 1.00 35.03 O ATOM 230 CG2 THR A 15 0.735 1.382 -13.267 1.00 62.52 C ATOM 0 H THR A 15 4.069 2.060 -15.769 1.00 4.05 H new ATOM 0 HA THR A 15 2.707 3.330 -13.493 1.00 53.20 H new ATOM 0 HB THR A 15 1.701 0.965 -15.125 1.00 72.35 H new ATOM 0 HG1 THR A 15 -0.110 2.412 -15.477 1.00 35.03 H new ATOM 0 HG21 THR A 15 -0.222 0.963 -13.579 1.00 62.52 H new ATOM 0 HG22 THR A 15 1.305 0.624 -12.731 1.00 62.52 H new ATOM 0 HG23 THR A 15 0.561 2.236 -12.612 1.00 62.52 H new ATOM 238 N TYR A 16 4.014 1.810 -12.038 1.00 22.31 N ATOM 239 CA TYR A 16 4.750 0.930 -11.138 1.00 22.31 C ATOM 240 C TYR A 16 4.403 1.225 -9.682 1.00 53.41 C ATOM 241 O TYR A 16 4.408 2.379 -9.254 1.00 24.22 O ATOM 242 CB TYR A 16 6.256 1.086 -11.356 1.00 40.14 C ATOM 243 CG TYR A 16 6.775 0.330 -12.559 1.00 2.53 C ATOM 244 CD1 TYR A 16 6.708 0.881 -13.832 1.00 52.14 C ATOM 245 CD2 TYR A 16 7.334 -0.934 -12.420 1.00 62.15 C ATOM 246 CE1 TYR A 16 7.180 0.194 -14.934 1.00 22.23 C ATOM 247 CE2 TYR A 16 7.811 -1.628 -13.516 1.00 34.21 C ATOM 248 CZ TYR A 16 7.731 -1.060 -14.770 1.00 72.23 C ATOM 249 OH TYR A 16 8.204 -1.748 -15.865 1.00 11.54 O ATOM 0 H TYR A 16 3.822 2.737 -11.658 1.00 22.31 H new ATOM 0 HA TYR A 16 4.462 -0.097 -11.360 1.00 22.31 H new ATOM 0 HB2 TYR A 16 6.490 2.144 -11.474 1.00 40.14 H new ATOM 0 HB3 TYR A 16 6.781 0.740 -10.466 1.00 40.14 H new ATOM 0 HD1 TYR A 16 6.279 1.864 -13.963 1.00 52.14 H new ATOM 0 HD2 TYR A 16 7.397 -1.382 -11.439 1.00 62.15 H new ATOM 0 HE1 TYR A 16 7.118 0.636 -15.917 1.00 22.23 H new ATOM 0 HE2 TYR A 16 8.244 -2.610 -13.391 1.00 34.21 H new ATOM 0 HH TYR A 16 8.546 -2.621 -15.580 1.00 11.54 H new ATOM 259 N GLU A 17 4.101 0.173 -8.927 1.00 42.51 N ATOM 260 CA GLU A 17 3.751 0.320 -7.519 1.00 71.22 C ATOM 261 C GLU A 17 4.897 0.954 -6.736 1.00 62.15 C ATOM 262 O GLU A 17 6.017 0.443 -6.731 1.00 73.14 O ATOM 263 CB GLU A 17 3.397 -1.041 -6.915 1.00 1.53 C ATOM 264 CG GLU A 17 1.968 -1.476 -7.191 1.00 32.02 C ATOM 265 CD GLU A 17 1.783 -2.977 -7.078 1.00 1.12 C ATOM 266 OE1 GLU A 17 2.791 -3.708 -7.169 1.00 3.22 O ATOM 267 OE2 GLU A 17 0.629 -3.420 -6.898 1.00 24.11 O ATOM 0 H GLU A 17 4.092 -0.789 -9.266 1.00 42.51 H new ATOM 0 HA GLU A 17 2.883 0.976 -7.453 1.00 71.22 H new ATOM 0 HB2 GLU A 17 4.080 -1.793 -7.310 1.00 1.53 H new ATOM 0 HB3 GLU A 17 3.554 -1.003 -5.837 1.00 1.53 H new ATOM 0 HG2 GLU A 17 1.299 -0.977 -6.490 1.00 32.02 H new ATOM 0 HG3 GLU A 17 1.680 -1.153 -8.191 1.00 32.02 H new ATOM 274 N ALA A 18 4.609 2.071 -6.077 1.00 34.25 N ATOM 275 CA ALA A 18 5.614 2.774 -5.289 1.00 54.33 C ATOM 276 C ALA A 18 5.464 2.463 -3.804 1.00 0.30 C ATOM 277 O ALA A 18 4.470 1.873 -3.381 1.00 22.45 O ATOM 278 CB ALA A 18 5.517 4.274 -5.529 1.00 21.30 C ATOM 0 H ALA A 18 3.688 2.509 -6.073 1.00 34.25 H new ATOM 0 HA ALA A 18 6.597 2.428 -5.608 1.00 54.33 H new ATOM 0 HB1 ALA A 18 6.273 4.787 -4.935 1.00 21.30 H new ATOM 0 HB2 ALA A 18 5.682 4.485 -6.586 1.00 21.30 H new ATOM 0 HB3 ALA A 18 4.527 4.626 -5.239 1.00 21.30 H new ATOM 284 N TYR A 19 6.457 2.864 -3.018 1.00 31.23 N ATOM 285 CA TYR A 19 6.437 2.625 -1.580 1.00 31.25 C ATOM 286 C TYR A 19 6.431 3.941 -0.809 1.00 14.35 C ATOM 287 O TYR A 19 6.418 5.021 -1.401 1.00 25.51 O ATOM 288 CB TYR A 19 7.645 1.784 -1.164 1.00 60.43 C ATOM 289 CG TYR A 19 7.313 0.331 -0.910 1.00 74.42 C ATOM 290 CD1 TYR A 19 7.344 -0.600 -1.942 1.00 21.04 C ATOM 291 CD2 TYR A 19 6.966 -0.111 0.361 1.00 61.55 C ATOM 292 CE1 TYR A 19 7.040 -1.928 -1.714 1.00 65.55 C ATOM 293 CE2 TYR A 19 6.662 -1.438 0.597 1.00 24.11 C ATOM 294 CZ TYR A 19 6.701 -2.343 -0.443 1.00 52.35 C ATOM 295 OH TYR A 19 6.398 -3.665 -0.212 1.00 54.11 O ATOM 0 H TYR A 19 7.286 3.356 -3.352 1.00 31.23 H new ATOM 0 HA TYR A 19 5.524 2.080 -1.341 1.00 31.25 H new ATOM 0 HB2 TYR A 19 8.404 1.843 -1.944 1.00 60.43 H new ATOM 0 HB3 TYR A 19 8.081 2.211 -0.261 1.00 60.43 H new ATOM 0 HD1 TYR A 19 7.610 -0.280 -2.938 1.00 21.04 H new ATOM 0 HD2 TYR A 19 6.933 0.595 1.178 1.00 61.55 H new ATOM 0 HE1 TYR A 19 7.068 -2.638 -2.527 1.00 65.55 H new ATOM 0 HE2 TYR A 19 6.395 -1.765 1.591 1.00 24.11 H new ATOM 0 HH TYR A 19 6.182 -3.790 0.736 1.00 54.11 H new ATOM 305 N ASP A 20 6.439 3.843 0.516 1.00 4.32 N ATOM 306 CA ASP A 20 6.437 5.025 1.370 1.00 14.34 C ATOM 307 C ASP A 20 7.858 5.519 1.620 1.00 23.21 C ATOM 308 O ASP A 20 8.658 4.839 2.261 1.00 5.14 O ATOM 309 CB ASP A 20 5.749 4.717 2.702 1.00 42.15 C ATOM 310 CG ASP A 20 5.361 5.973 3.457 1.00 22.11 C ATOM 311 OD1 ASP A 20 6.239 6.557 4.126 1.00 13.12 O ATOM 312 OD2 ASP A 20 4.180 6.371 3.380 1.00 32.11 O ATOM 0 H ASP A 20 6.447 2.957 1.022 1.00 4.32 H new ATOM 0 HA ASP A 20 5.884 5.812 0.857 1.00 14.34 H new ATOM 0 HB2 ASP A 20 4.858 4.118 2.517 1.00 42.15 H new ATOM 0 HB3 ASP A 20 6.415 4.116 3.321 1.00 42.15 H new ATOM 317 N GLY A 21 8.166 6.706 1.107 1.00 11.54 N ATOM 318 CA GLY A 21 9.491 7.270 1.284 1.00 4.15 C ATOM 319 C GLY A 21 10.559 6.483 0.550 1.00 12.21 C ATOM 320 O GLY A 21 11.752 6.697 0.762 1.00 51.55 O ATOM 0 H GLY A 21 7.521 7.287 0.572 1.00 11.54 H new ATOM 0 HA2 GLY A 21 9.494 8.300 0.928 1.00 4.15 H new ATOM 0 HA3 GLY A 21 9.731 7.299 2.347 1.00 4.15 H new ATOM 324 N GLU A 22 10.129 5.569 -0.314 1.00 33.12 N ATOM 325 CA GLU A 22 11.058 4.746 -1.079 1.00 75.24 C ATOM 326 C GLU A 22 11.306 5.347 -2.460 1.00 24.12 C ATOM 327 O GLU A 22 10.371 5.747 -3.154 1.00 1.11 O ATOM 328 CB GLU A 22 10.515 3.322 -1.221 1.00 54.34 C ATOM 329 CG GLU A 22 11.594 2.281 -1.463 1.00 71.51 C ATOM 330 CD GLU A 22 12.437 2.017 -0.231 1.00 31.04 C ATOM 331 OE1 GLU A 22 12.131 2.595 0.833 1.00 40.41 O ATOM 332 OE2 GLU A 22 13.403 1.232 -0.330 1.00 72.51 O ATOM 0 H GLU A 22 9.144 5.380 -0.502 1.00 33.12 H new ATOM 0 HA GLU A 22 12.005 4.714 -0.539 1.00 75.24 H new ATOM 0 HB2 GLU A 22 9.965 3.060 -0.317 1.00 54.34 H new ATOM 0 HB3 GLU A 22 9.803 3.294 -2.046 1.00 54.34 H new ATOM 0 HG2 GLU A 22 11.129 1.350 -1.787 1.00 71.51 H new ATOM 0 HG3 GLU A 22 12.239 2.614 -2.276 1.00 71.51 H new ATOM 339 N THR A 23 12.575 5.408 -2.852 1.00 62.13 N ATOM 340 CA THR A 23 12.949 5.961 -4.148 1.00 13.32 C ATOM 341 C THR A 23 12.670 4.969 -5.271 1.00 33.23 C ATOM 342 O THR A 23 12.257 3.835 -5.023 1.00 21.02 O ATOM 343 CB THR A 23 14.438 6.353 -4.183 1.00 11.41 C ATOM 344 OG1 THR A 23 15.112 5.821 -3.037 1.00 12.40 O ATOM 345 CG2 THR A 23 14.599 7.866 -4.215 1.00 74.22 C ATOM 0 H THR A 23 13.361 5.081 -2.290 1.00 62.13 H new ATOM 0 HA THR A 23 12.342 6.854 -4.297 1.00 13.32 H new ATOM 0 HB THR A 23 14.879 5.937 -5.089 1.00 11.41 H new ATOM 0 HG1 THR A 23 16.058 6.073 -3.068 1.00 12.40 H new ATOM 0 HG21 THR A 23 15.659 8.119 -4.239 1.00 74.22 H new ATOM 0 HG22 THR A 23 14.110 8.265 -5.104 1.00 74.22 H new ATOM 0 HG23 THR A 23 14.143 8.299 -3.325 1.00 74.22 H new ATOM 353 N LEU A 24 12.898 5.401 -6.506 1.00 34.00 N ATOM 354 CA LEU A 24 12.671 4.549 -7.668 1.00 43.25 C ATOM 355 C LEU A 24 13.569 3.317 -7.624 1.00 20.14 C ATOM 356 O LEU A 24 13.304 2.318 -8.294 1.00 64.00 O ATOM 357 CB LEU A 24 12.926 5.333 -8.957 1.00 50.21 C ATOM 358 CG LEU A 24 11.695 5.641 -9.810 1.00 72.10 C ATOM 359 CD1 LEU A 24 10.694 6.471 -9.022 1.00 54.42 C ATOM 360 CD2 LEU A 24 12.098 6.360 -11.089 1.00 2.31 C ATOM 0 H LEU A 24 13.240 6.336 -6.729 1.00 34.00 H new ATOM 0 HA LEU A 24 11.632 4.220 -7.649 1.00 43.25 H new ATOM 0 HB2 LEU A 24 13.407 6.275 -8.696 1.00 50.21 H new ATOM 0 HB3 LEU A 24 13.634 4.771 -9.566 1.00 50.21 H new ATOM 0 HG LEU A 24 11.220 4.698 -10.082 1.00 72.10 H new ATOM 0 HD11 LEU A 24 9.825 6.681 -9.645 1.00 54.42 H new ATOM 0 HD12 LEU A 24 10.381 5.919 -8.136 1.00 54.42 H new ATOM 0 HD13 LEU A 24 11.158 7.410 -8.719 1.00 54.42 H new ATOM 0 HD21 LEU A 24 11.209 6.571 -11.683 1.00 2.31 H new ATOM 0 HD22 LEU A 24 12.597 7.296 -10.838 1.00 2.31 H new ATOM 0 HD23 LEU A 24 12.777 5.729 -11.663 1.00 2.31 H new ATOM 372 N LEU A 25 14.630 3.393 -6.828 1.00 42.22 N ATOM 373 CA LEU A 25 15.567 2.283 -6.693 1.00 73.24 C ATOM 374 C LEU A 25 14.830 0.984 -6.379 1.00 44.54 C ATOM 375 O LEU A 25 15.050 -0.038 -7.029 1.00 20.14 O ATOM 376 CB LEU A 25 16.588 2.582 -5.595 1.00 21.24 C ATOM 377 CG LEU A 25 17.841 3.342 -6.032 1.00 20.44 C ATOM 378 CD1 LEU A 25 17.589 4.841 -6.014 1.00 42.32 C ATOM 379 CD2 LEU A 25 19.019 2.986 -5.137 1.00 4.44 C ATOM 0 H LEU A 25 14.863 4.212 -6.266 1.00 42.22 H new ATOM 0 HA LEU A 25 16.089 2.163 -7.642 1.00 73.24 H new ATOM 0 HB2 LEU A 25 16.093 3.158 -4.813 1.00 21.24 H new ATOM 0 HB3 LEU A 25 16.898 1.637 -5.148 1.00 21.24 H new ATOM 0 HG LEU A 25 18.084 3.048 -7.053 1.00 20.44 H new ATOM 0 HD11 LEU A 25 18.492 5.365 -6.328 1.00 42.32 H new ATOM 0 HD12 LEU A 25 16.774 5.081 -6.697 1.00 42.32 H new ATOM 0 HD13 LEU A 25 17.321 5.153 -5.005 1.00 42.32 H new ATOM 0 HD21 LEU A 25 19.902 3.536 -5.462 1.00 4.44 H new ATOM 0 HD22 LEU A 25 18.786 3.251 -4.106 1.00 4.44 H new ATOM 0 HD23 LEU A 25 19.214 1.916 -5.201 1.00 4.44 H new ATOM 391 N SER A 26 13.954 1.034 -5.381 1.00 23.40 N ATOM 392 CA SER A 26 13.186 -0.139 -4.980 1.00 21.13 C ATOM 393 C SER A 26 12.451 -0.742 -6.173 1.00 43.32 C ATOM 394 O SER A 26 12.199 -1.947 -6.218 1.00 50.53 O ATOM 395 CB SER A 26 12.185 0.231 -3.884 1.00 11.41 C ATOM 396 OG SER A 26 11.054 -0.621 -3.917 1.00 74.41 O ATOM 0 H SER A 26 13.758 1.873 -4.836 1.00 23.40 H new ATOM 0 HA SER A 26 13.882 -0.882 -4.591 1.00 21.13 H new ATOM 0 HB2 SER A 26 12.667 0.163 -2.909 1.00 11.41 H new ATOM 0 HB3 SER A 26 11.868 1.266 -4.011 1.00 11.41 H new ATOM 0 HG SER A 26 10.430 -0.365 -3.206 1.00 74.41 H new ATOM 402 N LEU A 27 12.110 0.105 -7.138 1.00 62.25 N ATOM 403 CA LEU A 27 11.404 -0.342 -8.334 1.00 32.40 C ATOM 404 C LEU A 27 12.369 -0.975 -9.332 1.00 54.40 C ATOM 405 O LEU A 27 12.092 -2.036 -9.891 1.00 3.43 O ATOM 406 CB LEU A 27 10.673 0.832 -8.988 1.00 33.45 C ATOM 407 CG LEU A 27 9.162 0.893 -8.758 1.00 3.41 C ATOM 408 CD1 LEU A 27 8.842 0.776 -7.276 1.00 24.42 C ATOM 409 CD2 LEU A 27 8.588 2.182 -9.329 1.00 3.04 C ATOM 0 H LEU A 27 12.311 1.105 -7.116 1.00 62.25 H new ATOM 0 HA LEU A 27 10.675 -1.095 -8.035 1.00 32.40 H new ATOM 0 HB2 LEU A 27 11.114 1.759 -8.621 1.00 33.45 H new ATOM 0 HB3 LEU A 27 10.856 0.795 -10.062 1.00 33.45 H new ATOM 0 HG LEU A 27 8.701 0.052 -9.275 1.00 3.41 H new ATOM 0 HD11 LEU A 27 7.762 0.821 -7.132 1.00 24.42 H new ATOM 0 HD12 LEU A 27 9.219 -0.174 -6.896 1.00 24.42 H new ATOM 0 HD13 LEU A 27 9.315 1.596 -6.736 1.00 24.42 H new ATOM 0 HD21 LEU A 27 7.512 2.209 -9.157 1.00 3.04 H new ATOM 0 HD22 LEU A 27 9.055 3.037 -8.840 1.00 3.04 H new ATOM 0 HD23 LEU A 27 8.785 2.225 -10.400 1.00 3.04 H new ATOM 421 N ALA A 28 13.502 -0.316 -9.549 1.00 65.24 N ATOM 422 CA ALA A 28 14.510 -0.816 -10.476 1.00 42.24 C ATOM 423 C ALA A 28 14.922 -2.241 -10.124 1.00 31.20 C ATOM 424 O ALA A 28 15.293 -3.025 -10.998 1.00 71.22 O ATOM 425 CB ALA A 28 15.725 0.101 -10.480 1.00 33.30 C ATOM 0 H ALA A 28 13.745 0.565 -9.096 1.00 65.24 H new ATOM 0 HA ALA A 28 14.074 -0.828 -11.475 1.00 42.24 H new ATOM 0 HB1 ALA A 28 16.470 -0.285 -11.177 1.00 33.30 H new ATOM 0 HB2 ALA A 28 15.424 1.102 -10.788 1.00 33.30 H new ATOM 0 HB3 ALA A 28 16.153 0.143 -9.478 1.00 33.30 H new ATOM 431 N HIS A 29 14.855 -2.571 -8.838 1.00 13.10 N ATOM 432 CA HIS A 29 15.221 -3.903 -8.370 1.00 52.01 C ATOM 433 C HIS A 29 14.120 -4.911 -8.686 1.00 21.24 C ATOM 434 O HIS A 29 14.388 -5.996 -9.202 1.00 23.34 O ATOM 435 CB HIS A 29 15.493 -3.881 -6.866 1.00 34.34 C ATOM 436 CG HIS A 29 16.918 -3.580 -6.519 1.00 2.02 C ATOM 437 ND1 HIS A 29 17.485 -2.334 -6.683 1.00 45.11 N ATOM 438 CD2 HIS A 29 17.892 -4.371 -6.012 1.00 64.42 C ATOM 439 CE1 HIS A 29 18.747 -2.372 -6.294 1.00 64.42 C ATOM 440 NE2 HIS A 29 19.019 -3.598 -5.882 1.00 42.51 N ATOM 0 H HIS A 29 14.551 -1.934 -8.102 1.00 13.10 H new ATOM 0 HA HIS A 29 16.129 -4.208 -8.891 1.00 52.01 H new ATOM 0 HB2 HIS A 29 14.849 -3.135 -6.400 1.00 34.34 H new ATOM 0 HB3 HIS A 29 15.221 -4.847 -6.442 1.00 34.34 H new ATOM 0 HD2 HIS A 29 17.800 -5.416 -5.757 1.00 64.42 H new ATOM 0 HE1 HIS A 29 19.439 -1.543 -6.310 1.00 64.42 H new ATOM 0 HE2 HIS A 29 19.920 -3.918 -5.526 1.00 42.51 H new ATOM 448 N ARG A 30 12.882 -4.546 -8.372 1.00 14.45 N ATOM 449 CA ARG A 30 11.741 -5.419 -8.620 1.00 11.02 C ATOM 450 C ARG A 30 11.533 -5.630 -10.117 1.00 1.43 C ATOM 451 O ARG A 30 11.099 -6.696 -10.549 1.00 30.41 O ATOM 452 CB ARG A 30 10.475 -4.829 -7.996 1.00 74.13 C ATOM 453 CG ARG A 30 10.540 -4.709 -6.482 1.00 61.05 C ATOM 454 CD ARG A 30 10.051 -5.978 -5.801 1.00 45.23 C ATOM 455 NE ARG A 30 11.052 -7.041 -5.843 1.00 34.23 N ATOM 456 CZ ARG A 30 10.764 -8.327 -5.674 1.00 24.10 C ATOM 457 NH1 ARG A 30 9.513 -8.707 -5.454 1.00 64.11 N ATOM 458 NH2 ARG A 30 11.730 -9.236 -5.726 1.00 32.15 N ATOM 0 H ARG A 30 12.643 -3.651 -7.945 1.00 14.45 H new ATOM 0 HA ARG A 30 11.948 -6.385 -8.160 1.00 11.02 H new ATOM 0 HB2 ARG A 30 10.296 -3.842 -8.423 1.00 74.13 H new ATOM 0 HB3 ARG A 30 9.623 -5.452 -8.266 1.00 74.13 H new ATOM 0 HG2 ARG A 30 11.566 -4.503 -6.176 1.00 61.05 H new ATOM 0 HG3 ARG A 30 9.934 -3.863 -6.157 1.00 61.05 H new ATOM 0 HD2 ARG A 30 9.798 -5.759 -4.764 1.00 45.23 H new ATOM 0 HD3 ARG A 30 9.137 -6.321 -6.286 1.00 45.23 H new ATOM 0 HE ARG A 30 12.024 -6.782 -6.011 1.00 34.23 H new ATOM 0 HH11 ARG A 30 8.768 -8.011 -5.414 1.00 64.11 H new ATOM 0 HH12 ARG A 30 9.295 -9.695 -5.325 1.00 64.11 H new ATOM 0 HH21 ARG A 30 12.693 -8.947 -5.896 1.00 32.15 H new ATOM 0 HH22 ARG A 30 11.509 -10.223 -5.596 1.00 32.15 H new ATOM 472 N ASN A 31 11.846 -4.604 -10.902 1.00 71.24 N ATOM 473 CA ASN A 31 11.692 -4.677 -12.351 1.00 4.41 C ATOM 474 C ASN A 31 12.937 -5.273 -13.001 1.00 22.33 C ATOM 475 O ASN A 31 13.045 -5.328 -14.225 1.00 0.31 O ATOM 476 CB ASN A 31 11.421 -3.285 -12.926 1.00 35.11 C ATOM 477 CG ASN A 31 10.423 -2.501 -12.095 1.00 73.25 C ATOM 478 OD1 ASN A 31 9.571 -3.079 -11.420 1.00 2.25 O ATOM 479 ND2 ASN A 31 10.524 -1.178 -12.143 1.00 54.12 N ATOM 0 H ASN A 31 12.207 -3.714 -10.560 1.00 71.24 H new ATOM 0 HA ASN A 31 10.844 -5.326 -12.569 1.00 4.41 H new ATOM 0 HB2 ASN A 31 12.357 -2.730 -12.984 1.00 35.11 H new ATOM 0 HB3 ASN A 31 11.045 -3.382 -13.944 1.00 35.11 H new ATOM 0 HD21 ASN A 31 9.879 -0.598 -11.606 1.00 54.12 H new ATOM 0 HD22 ASN A 31 11.246 -0.742 -12.716 1.00 54.12 H new ATOM 486 N ASN A 32 13.875 -5.720 -12.171 1.00 74.22 N ATOM 487 CA ASN A 32 15.112 -6.313 -12.665 1.00 22.24 C ATOM 488 C ASN A 32 15.657 -5.526 -13.852 1.00 50.24 C ATOM 489 O ASN A 32 16.159 -6.104 -14.816 1.00 43.44 O ATOM 490 CB ASN A 32 14.878 -7.770 -13.069 1.00 23.35 C ATOM 491 CG ASN A 32 13.943 -7.898 -14.255 1.00 70.43 C ATOM 492 OD1 ASN A 32 14.377 -7.875 -15.407 1.00 51.42 O ATOM 493 ND2 ASN A 32 12.651 -8.035 -13.978 1.00 44.25 N ATOM 0 H ASN A 32 13.802 -5.683 -11.154 1.00 74.22 H new ATOM 0 HA ASN A 32 15.848 -6.279 -11.861 1.00 22.24 H new ATOM 0 HB2 ASN A 32 15.834 -8.235 -13.311 1.00 23.35 H new ATOM 0 HB3 ASN A 32 14.463 -8.317 -12.222 1.00 23.35 H new ATOM 0 HD21 ASN A 32 11.974 -8.126 -14.735 1.00 44.25 H new ATOM 0 HD22 ASN A 32 12.336 -8.049 -13.008 1.00 44.25 H new ATOM 500 N VAL A 33 15.554 -4.203 -13.776 1.00 3.35 N ATOM 501 CA VAL A 33 16.038 -3.335 -14.843 1.00 30.02 C ATOM 502 C VAL A 33 17.437 -2.814 -14.536 1.00 25.12 C ATOM 503 O VAL A 33 17.817 -2.672 -13.373 1.00 52.43 O ATOM 504 CB VAL A 33 15.094 -2.138 -15.065 1.00 31.44 C ATOM 505 CG1 VAL A 33 15.117 -1.209 -13.861 1.00 23.35 C ATOM 506 CG2 VAL A 33 15.472 -1.390 -16.334 1.00 4.24 C ATOM 0 H VAL A 33 15.139 -3.709 -12.986 1.00 3.35 H new ATOM 0 HA VAL A 33 16.069 -3.937 -15.751 1.00 30.02 H new ATOM 0 HB VAL A 33 14.078 -2.515 -15.182 1.00 31.44 H new ATOM 0 HG11 VAL A 33 14.444 -0.370 -14.036 1.00 23.35 H new ATOM 0 HG12 VAL A 33 14.793 -1.754 -12.974 1.00 23.35 H new ATOM 0 HG13 VAL A 33 16.130 -0.836 -13.708 1.00 23.35 H new ATOM 0 HG21 VAL A 33 14.795 -0.548 -16.475 1.00 4.24 H new ATOM 0 HG22 VAL A 33 16.495 -1.023 -16.249 1.00 4.24 H new ATOM 0 HG23 VAL A 33 15.398 -2.063 -17.189 1.00 4.24 H new ATOM 516 N ASP A 34 18.201 -2.531 -15.586 1.00 14.04 N ATOM 517 CA ASP A 34 19.559 -2.024 -15.429 1.00 11.31 C ATOM 518 C ASP A 34 19.565 -0.726 -14.627 1.00 42.23 C ATOM 519 O ASP A 34 19.271 0.346 -15.158 1.00 63.05 O ATOM 520 CB ASP A 34 20.202 -1.795 -16.798 1.00 31.33 C ATOM 521 CG ASP A 34 21.601 -1.222 -16.692 1.00 24.24 C ATOM 522 OD1 ASP A 34 22.539 -1.996 -16.407 1.00 31.15 O ATOM 523 OD2 ASP A 34 21.759 0.000 -16.893 1.00 2.43 O ATOM 0 H ASP A 34 17.903 -2.644 -16.555 1.00 14.04 H new ATOM 0 HA ASP A 34 20.138 -2.769 -14.884 1.00 11.31 H new ATOM 0 HB2 ASP A 34 20.240 -2.739 -17.341 1.00 31.33 H new ATOM 0 HB3 ASP A 34 19.578 -1.117 -17.380 1.00 31.33 H new ATOM 528 N LEU A 35 19.901 -0.830 -13.346 1.00 54.41 N ATOM 529 CA LEU A 35 19.944 0.336 -12.470 1.00 22.01 C ATOM 530 C LEU A 35 21.385 0.738 -12.170 1.00 13.11 C ATOM 531 O LEU A 35 22.326 0.063 -12.584 1.00 22.32 O ATOM 532 CB LEU A 35 19.201 0.045 -11.165 1.00 5.34 C ATOM 533 CG LEU A 35 19.902 -0.902 -10.190 1.00 62.12 C ATOM 534 CD1 LEU A 35 20.768 -0.120 -9.215 1.00 10.03 C ATOM 535 CD2 LEU A 35 18.882 -1.747 -9.442 1.00 21.45 C ATOM 0 H LEU A 35 20.147 -1.709 -12.891 1.00 54.41 H new ATOM 0 HA LEU A 35 19.454 1.164 -12.983 1.00 22.01 H new ATOM 0 HB2 LEU A 35 19.020 0.991 -10.655 1.00 5.34 H new ATOM 0 HB3 LEU A 35 18.226 -0.376 -11.411 1.00 5.34 H new ATOM 0 HG LEU A 35 20.547 -1.569 -10.762 1.00 62.12 H new ATOM 0 HD11 LEU A 35 21.259 -0.811 -8.529 1.00 10.03 H new ATOM 0 HD12 LEU A 35 21.522 0.440 -9.767 1.00 10.03 H new ATOM 0 HD13 LEU A 35 20.145 0.572 -8.649 1.00 10.03 H new ATOM 0 HD21 LEU A 35 19.398 -2.415 -8.753 1.00 21.45 H new ATOM 0 HD22 LEU A 35 18.211 -1.096 -8.882 1.00 21.45 H new ATOM 0 HD23 LEU A 35 18.305 -2.336 -10.155 1.00 21.45 H new ATOM 547 N GLU A 36 21.547 1.841 -11.446 1.00 3.20 N ATOM 548 CA GLU A 36 22.873 2.332 -11.090 1.00 25.33 C ATOM 549 C GLU A 36 22.851 3.023 -9.729 1.00 73.52 C ATOM 550 O GLU A 36 22.192 4.046 -9.552 1.00 11.25 O ATOM 551 CB GLU A 36 23.387 3.300 -12.157 1.00 41.22 C ATOM 552 CG GLU A 36 24.811 3.771 -11.917 1.00 5.43 C ATOM 553 CD GLU A 36 25.824 2.649 -12.030 1.00 24.33 C ATOM 554 OE1 GLU A 36 25.744 1.873 -13.005 1.00 24.44 O ATOM 555 OE2 GLU A 36 26.697 2.547 -11.142 1.00 65.34 O ATOM 0 H GLU A 36 20.777 2.411 -11.095 1.00 3.20 H new ATOM 0 HA GLU A 36 23.545 1.476 -11.033 1.00 25.33 H new ATOM 0 HB2 GLU A 36 23.333 2.815 -13.132 1.00 41.22 H new ATOM 0 HB3 GLU A 36 22.728 4.167 -12.196 1.00 41.22 H new ATOM 0 HG2 GLU A 36 25.057 4.552 -12.637 1.00 5.43 H new ATOM 0 HG3 GLU A 36 24.879 4.218 -10.925 1.00 5.43 H new ATOM 562 N GLY A 37 23.576 2.453 -8.771 1.00 14.43 N ATOM 563 CA GLY A 37 23.625 3.027 -7.438 1.00 72.34 C ATOM 564 C GLY A 37 23.888 1.986 -6.369 1.00 24.43 C ATOM 565 O GLY A 37 24.803 2.136 -5.559 1.00 33.11 O ATOM 0 H GLY A 37 24.130 1.605 -8.894 1.00 14.43 H new ATOM 0 HA2 GLY A 37 24.406 3.787 -7.401 1.00 72.34 H new ATOM 0 HA3 GLY A 37 22.681 3.530 -7.227 1.00 72.34 H new ATOM 569 N ALA A 38 23.084 0.927 -6.364 1.00 44.50 N ATOM 570 CA ALA A 38 23.236 -0.143 -5.386 1.00 14.41 C ATOM 571 C ALA A 38 22.992 0.369 -3.970 1.00 42.23 C ATOM 572 O ALA A 38 23.796 0.132 -3.068 1.00 32.15 O ATOM 573 CB ALA A 38 24.620 -0.764 -5.494 1.00 21.33 C ATOM 0 H ALA A 38 22.321 0.788 -7.026 1.00 44.50 H new ATOM 0 HA ALA A 38 22.490 -0.908 -5.601 1.00 14.41 H new ATOM 0 HB1 ALA A 38 24.719 -1.562 -4.758 1.00 21.33 H new ATOM 0 HB2 ALA A 38 24.758 -1.174 -6.494 1.00 21.33 H new ATOM 0 HB3 ALA A 38 25.376 -0.002 -5.307 1.00 21.33 H new ATOM 579 N CYS A 39 21.881 1.072 -3.783 1.00 53.14 N ATOM 580 CA CYS A 39 21.533 1.619 -2.477 1.00 15.12 C ATOM 581 C CYS A 39 20.197 1.063 -1.993 1.00 24.22 C ATOM 582 O CYS A 39 19.138 1.453 -2.482 1.00 40.21 O ATOM 583 CB CYS A 39 21.470 3.146 -2.540 1.00 72.12 C ATOM 584 SG CYS A 39 23.072 3.959 -2.339 1.00 11.43 S ATOM 0 H CYS A 39 21.206 1.277 -4.519 1.00 53.14 H new ATOM 0 HA CYS A 39 22.307 1.323 -1.769 1.00 15.12 H new ATOM 0 HB2 CYS A 39 21.042 3.442 -3.498 1.00 72.12 H new ATOM 0 HB3 CYS A 39 20.793 3.503 -1.764 1.00 72.12 H new ATOM 0 HG CYS A 39 22.916 5.248 -2.409 1.00 11.43 H new ATOM 590 N GLU A 40 20.257 0.148 -1.030 1.00 64.11 N ATOM 591 CA GLU A 40 19.052 -0.464 -0.482 1.00 43.44 C ATOM 592 C GLU A 40 18.082 0.601 0.021 1.00 4.44 C ATOM 593 O GLU A 40 16.872 0.386 0.059 1.00 32.15 O ATOM 594 CB GLU A 40 19.412 -1.421 0.656 1.00 73.23 C ATOM 595 CG GLU A 40 20.023 -0.730 1.863 1.00 43.34 C ATOM 596 CD GLU A 40 18.980 -0.271 2.863 1.00 41.22 C ATOM 597 OE1 GLU A 40 17.777 -0.487 2.606 1.00 62.11 O ATOM 598 OE2 GLU A 40 19.366 0.305 3.902 1.00 60.43 O ATOM 0 H GLU A 40 21.126 -0.185 -0.614 1.00 64.11 H new ATOM 0 HA GLU A 40 18.566 -1.026 -1.279 1.00 43.44 H new ATOM 0 HB2 GLU A 40 18.514 -1.954 0.969 1.00 73.23 H new ATOM 0 HB3 GLU A 40 20.112 -2.168 0.283 1.00 73.23 H new ATOM 0 HG2 GLU A 40 20.717 -1.412 2.355 1.00 43.34 H new ATOM 0 HG3 GLU A 40 20.604 0.130 1.529 1.00 43.34 H new ATOM 605 N GLY A 41 18.625 1.752 0.408 1.00 12.12 N ATOM 606 CA GLY A 41 17.794 2.834 0.905 1.00 25.43 C ATOM 607 C GLY A 41 17.307 2.587 2.319 1.00 11.23 C ATOM 608 O GLY A 41 18.096 2.588 3.264 1.00 32.21 O ATOM 0 H GLY A 41 19.625 1.954 0.386 1.00 12.12 H new ATOM 0 HA2 GLY A 41 18.360 3.765 0.876 1.00 25.43 H new ATOM 0 HA3 GLY A 41 16.936 2.962 0.245 1.00 25.43 H new ATOM 612 N SER A 42 16.002 2.378 2.466 1.00 65.33 N ATOM 613 CA SER A 42 15.410 2.134 3.776 1.00 53.54 C ATOM 614 C SER A 42 14.247 1.152 3.672 1.00 51.33 C ATOM 615 O SER A 42 13.688 0.945 2.594 1.00 53.52 O ATOM 616 CB SER A 42 14.928 3.449 4.393 1.00 62.11 C ATOM 617 OG SER A 42 15.958 4.066 5.146 1.00 41.35 O ATOM 0 H SER A 42 15.335 2.373 1.694 1.00 65.33 H new ATOM 0 HA SER A 42 16.175 1.698 4.418 1.00 53.54 H new ATOM 0 HB2 SER A 42 14.595 4.124 3.605 1.00 62.11 H new ATOM 0 HB3 SER A 42 14.067 3.260 5.035 1.00 62.11 H new ATOM 0 HG SER A 42 16.830 3.805 4.783 1.00 41.35 H new ATOM 623 N LEU A 43 13.888 0.549 4.800 1.00 52.24 N ATOM 624 CA LEU A 43 12.791 -0.412 4.838 1.00 62.14 C ATOM 625 C LEU A 43 11.641 0.108 5.693 1.00 34.14 C ATOM 626 O LEU A 43 10.486 -0.265 5.491 1.00 75.21 O ATOM 627 CB LEU A 43 13.282 -1.754 5.384 1.00 60.13 C ATOM 628 CG LEU A 43 13.803 -1.744 6.821 1.00 12.33 C ATOM 629 CD1 LEU A 43 12.659 -1.934 7.805 1.00 73.11 C ATOM 630 CD2 LEU A 43 14.859 -2.822 7.014 1.00 61.23 C ATOM 0 H LEU A 43 14.340 0.708 5.700 1.00 52.24 H new ATOM 0 HA LEU A 43 12.427 -0.552 3.820 1.00 62.14 H new ATOM 0 HB2 LEU A 43 12.463 -2.471 5.321 1.00 60.13 H new ATOM 0 HB3 LEU A 43 14.076 -2.119 4.733 1.00 60.13 H new ATOM 0 HG LEU A 43 14.263 -0.775 7.013 1.00 12.33 H new ATOM 0 HD11 LEU A 43 13.049 -1.924 8.823 1.00 73.11 H new ATOM 0 HD12 LEU A 43 11.938 -1.126 7.685 1.00 73.11 H new ATOM 0 HD13 LEU A 43 12.169 -2.889 7.613 1.00 73.11 H new ATOM 0 HD21 LEU A 43 15.218 -2.800 8.043 1.00 61.23 H new ATOM 0 HD22 LEU A 43 14.424 -3.799 6.803 1.00 61.23 H new ATOM 0 HD23 LEU A 43 15.692 -2.641 6.335 1.00 61.23 H new ATOM 642 N ALA A 44 11.965 0.973 6.649 1.00 74.02 N ATOM 643 CA ALA A 44 10.958 1.548 7.532 1.00 32.34 C ATOM 644 C ALA A 44 10.970 3.071 7.461 1.00 73.20 C ATOM 645 O ALA A 44 11.762 3.727 8.138 1.00 40.20 O ATOM 646 CB ALA A 44 11.184 1.083 8.963 1.00 22.34 C ATOM 0 H ALA A 44 12.917 1.291 6.831 1.00 74.02 H new ATOM 0 HA ALA A 44 9.979 1.203 7.199 1.00 32.34 H new ATOM 0 HB1 ALA A 44 10.425 1.520 9.612 1.00 22.34 H new ATOM 0 HB2 ALA A 44 11.117 -0.004 9.007 1.00 22.34 H new ATOM 0 HB3 ALA A 44 12.172 1.400 9.297 1.00 22.34 H new ATOM 652 N CYS A 45 10.088 3.627 6.637 1.00 22.43 N ATOM 653 CA CYS A 45 9.999 5.074 6.476 1.00 34.54 C ATOM 654 C CYS A 45 8.633 5.587 6.923 1.00 64.34 C ATOM 655 O CYS A 45 7.603 5.197 6.373 1.00 11.42 O ATOM 656 CB CYS A 45 10.252 5.462 5.019 1.00 13.21 C ATOM 657 SG CYS A 45 11.868 4.952 4.389 1.00 74.51 S ATOM 0 H CYS A 45 9.425 3.098 6.071 1.00 22.43 H new ATOM 0 HA CYS A 45 10.763 5.533 7.104 1.00 34.54 H new ATOM 0 HB2 CYS A 45 9.475 5.019 4.396 1.00 13.21 H new ATOM 0 HB3 CYS A 45 10.161 6.544 4.921 1.00 13.21 H new ATOM 0 HG CYS A 45 11.987 5.323 3.149 1.00 74.51 H new ATOM 663 N SER A 46 8.634 6.461 7.923 1.00 11.44 N ATOM 664 CA SER A 46 7.395 7.024 8.448 1.00 72.04 C ATOM 665 C SER A 46 7.518 8.534 8.629 1.00 32.23 C ATOM 666 O SER A 46 8.610 9.058 8.849 1.00 2.24 O ATOM 667 CB SER A 46 7.035 6.366 9.781 1.00 23.11 C ATOM 668 OG SER A 46 8.037 6.606 10.755 1.00 54.13 O ATOM 0 H SER A 46 9.479 6.795 8.387 1.00 11.44 H new ATOM 0 HA SER A 46 6.601 6.826 7.728 1.00 72.04 H new ATOM 0 HB2 SER A 46 6.079 6.753 10.135 1.00 23.11 H new ATOM 0 HB3 SER A 46 6.911 5.292 9.639 1.00 23.11 H new ATOM 0 HG SER A 46 7.783 6.177 11.598 1.00 54.13 H new ATOM 674 N THR A 47 6.388 9.229 8.535 1.00 24.25 N ATOM 675 CA THR A 47 6.368 10.678 8.688 1.00 51.11 C ATOM 676 C THR A 47 7.424 11.338 7.809 1.00 52.43 C ATOM 677 O THR A 47 8.045 12.325 8.204 1.00 4.40 O ATOM 678 CB THR A 47 6.604 11.092 10.153 1.00 53.33 C ATOM 679 OG1 THR A 47 7.990 10.955 10.484 1.00 61.44 O ATOM 680 CG2 THR A 47 5.765 10.244 11.097 1.00 62.23 C ATOM 0 H THR A 47 5.475 8.811 8.354 1.00 24.25 H new ATOM 0 HA THR A 47 5.379 11.015 8.378 1.00 51.11 H new ATOM 0 HB THR A 47 6.306 12.134 10.265 1.00 53.33 H new ATOM 0 HG1 THR A 47 8.401 10.283 9.901 1.00 61.44 H new ATOM 0 HG21 THR A 47 5.949 10.555 12.126 1.00 62.23 H new ATOM 0 HG22 THR A 47 4.709 10.374 10.862 1.00 62.23 H new ATOM 0 HG23 THR A 47 6.036 9.195 10.981 1.00 62.23 H new ATOM 688 N CYS A 48 7.621 10.789 6.616 1.00 63.23 N ATOM 689 CA CYS A 48 8.603 11.325 5.680 1.00 41.22 C ATOM 690 C CYS A 48 8.076 12.586 5.002 1.00 30.21 C ATOM 691 O CYS A 48 6.907 12.943 5.154 1.00 62.31 O ATOM 692 CB CYS A 48 8.960 10.276 4.626 1.00 40.12 C ATOM 693 SG CYS A 48 7.574 9.786 3.573 1.00 31.35 S ATOM 0 H CYS A 48 7.114 9.973 6.274 1.00 63.23 H new ATOM 0 HA CYS A 48 9.500 11.584 6.242 1.00 41.22 H new ATOM 0 HB2 CYS A 48 9.760 10.666 3.997 1.00 40.12 H new ATOM 0 HB3 CYS A 48 9.352 9.391 5.128 1.00 40.12 H new ATOM 0 HG CYS A 48 7.207 8.576 3.874 1.00 31.35 H new ATOM 699 N HIS A 49 8.946 13.258 4.255 1.00 62.32 N ATOM 700 CA HIS A 49 8.569 14.480 3.554 1.00 14.13 C ATOM 701 C HIS A 49 7.536 14.188 2.470 1.00 72.11 C ATOM 702 O HIS A 49 6.989 13.087 2.399 1.00 3.02 O ATOM 703 CB HIS A 49 9.801 15.140 2.936 1.00 4.21 C ATOM 704 CG HIS A 49 10.317 14.429 1.723 1.00 53.11 C ATOM 705 ND1 HIS A 49 10.088 14.872 0.437 1.00 34.41 N ATOM 706 CD2 HIS A 49 11.055 13.301 1.605 1.00 63.01 C ATOM 707 CE1 HIS A 49 10.661 14.045 -0.419 1.00 44.43 C ATOM 708 NE2 HIS A 49 11.256 13.084 0.264 1.00 72.11 N ATOM 0 H HIS A 49 9.917 12.977 4.120 1.00 62.32 H new ATOM 0 HA HIS A 49 8.126 15.163 4.279 1.00 14.13 H new ATOM 0 HB2 HIS A 49 9.556 16.168 2.668 1.00 4.21 H new ATOM 0 HB3 HIS A 49 10.592 15.186 3.684 1.00 4.21 H new ATOM 0 HD1 HIS A 49 9.559 15.707 0.186 1.00 34.41 H new ATOM 0 HD2 HIS A 49 11.418 12.686 2.415 1.00 63.01 H new ATOM 0 HE1 HIS A 49 10.646 14.139 -1.495 1.00 44.43 H new ATOM 716 N VAL A 50 7.272 15.181 1.627 1.00 5.50 N ATOM 717 CA VAL A 50 6.306 15.031 0.546 1.00 14.01 C ATOM 718 C VAL A 50 6.949 15.306 -0.809 1.00 15.15 C ATOM 719 O VAL A 50 7.855 16.132 -0.920 1.00 52.24 O ATOM 720 CB VAL A 50 5.103 15.976 0.733 1.00 65.31 C ATOM 721 CG1 VAL A 50 4.279 15.559 1.941 1.00 23.24 C ATOM 722 CG2 VAL A 50 5.574 17.416 0.869 1.00 22.23 C ATOM 0 H VAL A 50 7.714 16.099 1.672 1.00 5.50 H new ATOM 0 HA VAL A 50 5.956 13.999 0.575 1.00 14.01 H new ATOM 0 HB VAL A 50 4.468 15.907 -0.150 1.00 65.31 H new ATOM 0 HG11 VAL A 50 3.434 16.238 2.057 1.00 23.24 H new ATOM 0 HG12 VAL A 50 3.911 14.543 1.797 1.00 23.24 H new ATOM 0 HG13 VAL A 50 4.900 15.597 2.836 1.00 23.24 H new ATOM 0 HG21 VAL A 50 4.712 18.070 1.000 1.00 22.23 H new ATOM 0 HG22 VAL A 50 6.231 17.504 1.734 1.00 22.23 H new ATOM 0 HG23 VAL A 50 6.117 17.708 -0.030 1.00 22.23 H new ATOM 732 N ILE A 51 6.473 14.609 -1.835 1.00 44.21 N ATOM 733 CA ILE A 51 7.001 14.780 -3.183 1.00 60.32 C ATOM 734 C ILE A 51 5.886 14.716 -4.222 1.00 4.11 C ATOM 735 O ILE A 51 5.284 13.664 -4.437 1.00 31.14 O ATOM 736 CB ILE A 51 8.057 13.709 -3.514 1.00 24.01 C ATOM 737 CG1 ILE A 51 8.232 13.584 -5.029 1.00 10.41 C ATOM 738 CG2 ILE A 51 7.662 12.370 -2.909 1.00 1.21 C ATOM 739 CD1 ILE A 51 9.395 12.706 -5.433 1.00 23.01 C ATOM 0 H ILE A 51 5.724 13.921 -1.759 1.00 44.21 H new ATOM 0 HA ILE A 51 7.470 15.763 -3.216 1.00 60.32 H new ATOM 0 HB ILE A 51 9.010 14.014 -3.081 1.00 24.01 H new ATOM 0 HG12 ILE A 51 7.316 13.180 -5.460 1.00 10.41 H new ATOM 0 HG13 ILE A 51 8.373 14.578 -5.453 1.00 10.41 H new ATOM 0 HG21 ILE A 51 8.418 11.624 -3.152 1.00 1.21 H new ATOM 0 HG22 ILE A 51 7.584 12.469 -1.826 1.00 1.21 H new ATOM 0 HG23 ILE A 51 6.700 12.057 -3.315 1.00 1.21 H new ATOM 0 HD11 ILE A 51 9.458 12.663 -6.520 1.00 23.01 H new ATOM 0 HD12 ILE A 51 10.320 13.120 -5.032 1.00 23.01 H new ATOM 0 HD13 ILE A 51 9.246 11.701 -5.039 1.00 23.01 H new ATOM 751 N ILE A 52 5.619 15.848 -4.865 1.00 32.24 N ATOM 752 CA ILE A 52 4.579 15.920 -5.883 1.00 73.32 C ATOM 753 C ILE A 52 5.108 16.553 -7.165 1.00 71.15 C ATOM 754 O ILE A 52 6.138 17.227 -7.158 1.00 1.12 O ATOM 755 CB ILE A 52 3.362 16.726 -5.390 1.00 65.40 C ATOM 756 CG1 ILE A 52 3.814 17.852 -4.458 1.00 54.33 C ATOM 757 CG2 ILE A 52 2.372 15.811 -4.684 1.00 4.41 C ATOM 758 CD1 ILE A 52 4.775 18.823 -5.106 1.00 45.41 C ATOM 0 H ILE A 52 6.109 16.727 -4.699 1.00 32.24 H new ATOM 0 HA ILE A 52 4.267 14.896 -6.088 1.00 73.32 H new ATOM 0 HB ILE A 52 2.864 17.171 -6.252 1.00 65.40 H new ATOM 0 HG12 ILE A 52 2.937 18.399 -4.110 1.00 54.33 H new ATOM 0 HG13 ILE A 52 4.288 17.416 -3.578 1.00 54.33 H new ATOM 0 HG21 ILE A 52 1.518 16.395 -4.341 1.00 4.41 H new ATOM 0 HG22 ILE A 52 2.031 15.041 -5.376 1.00 4.41 H new ATOM 0 HG23 ILE A 52 2.857 15.341 -3.828 1.00 4.41 H new ATOM 0 HD11 ILE A 52 5.053 19.594 -4.387 1.00 45.41 H new ATOM 0 HD12 ILE A 52 5.669 18.289 -5.429 1.00 45.41 H new ATOM 0 HD13 ILE A 52 4.297 19.287 -5.969 1.00 45.41 H new ATOM 770 N ASP A 53 4.396 16.333 -8.265 1.00 34.10 N ATOM 771 CA ASP A 53 4.792 16.884 -9.556 1.00 15.44 C ATOM 772 C ASP A 53 5.075 18.379 -9.444 1.00 12.20 C ATOM 773 O ASP A 53 4.634 19.052 -8.511 1.00 61.54 O ATOM 774 CB ASP A 53 3.699 16.636 -10.597 1.00 42.10 C ATOM 775 CG ASP A 53 2.305 16.765 -10.016 1.00 20.43 C ATOM 776 OD1 ASP A 53 2.114 17.607 -9.114 1.00 21.33 O ATOM 777 OD2 ASP A 53 1.405 16.023 -10.462 1.00 71.50 O ATOM 0 H ASP A 53 3.541 15.777 -8.288 1.00 34.10 H new ATOM 0 HA ASP A 53 5.706 16.382 -9.873 1.00 15.44 H new ATOM 0 HB2 ASP A 53 3.815 17.345 -11.417 1.00 42.10 H new ATOM 0 HB3 ASP A 53 3.823 15.638 -11.019 1.00 42.10 H new ATOM 782 N PRO A 54 5.829 18.913 -10.416 1.00 51.22 N ATOM 783 CA PRO A 54 6.189 20.334 -10.449 1.00 75.11 C ATOM 784 C PRO A 54 4.991 21.228 -10.752 1.00 41.12 C ATOM 785 O PRO A 54 5.058 22.447 -10.592 1.00 62.22 O ATOM 786 CB PRO A 54 7.216 20.414 -11.581 1.00 74.33 C ATOM 787 CG PRO A 54 6.895 19.258 -12.465 1.00 45.23 C ATOM 788 CD PRO A 54 6.388 18.171 -11.559 1.00 2.14 C ATOM 0 HA PRO A 54 6.567 20.681 -9.487 1.00 75.11 H new ATOM 0 HB2 PRO A 54 7.139 21.358 -12.120 1.00 74.33 H new ATOM 0 HB3 PRO A 54 8.234 20.349 -11.197 1.00 74.33 H new ATOM 0 HG2 PRO A 54 6.143 19.530 -13.206 1.00 45.23 H new ATOM 0 HG3 PRO A 54 7.778 18.929 -13.013 1.00 45.23 H new ATOM 0 HD2 PRO A 54 5.631 17.559 -12.050 1.00 2.14 H new ATOM 0 HD3 PRO A 54 7.189 17.500 -11.249 1.00 2.14 H new ATOM 796 N SER A 55 3.896 20.615 -11.190 1.00 61.21 N ATOM 797 CA SER A 55 2.684 21.356 -11.519 1.00 3.33 C ATOM 798 C SER A 55 1.905 21.710 -10.256 1.00 12.31 C ATOM 799 O SER A 55 1.178 22.703 -10.220 1.00 50.21 O ATOM 800 CB SER A 55 1.802 20.539 -12.464 1.00 52.33 C ATOM 801 OG SER A 55 2.418 20.385 -13.731 1.00 53.32 O ATOM 0 H SER A 55 3.823 19.607 -11.325 1.00 61.21 H new ATOM 0 HA SER A 55 2.976 22.281 -12.016 1.00 3.33 H new ATOM 0 HB2 SER A 55 1.608 19.559 -12.029 1.00 52.33 H new ATOM 0 HB3 SER A 55 0.837 21.032 -12.583 1.00 52.33 H new ATOM 0 HG SER A 55 1.835 19.858 -14.316 1.00 53.32 H new ATOM 807 N TRP A 56 2.062 20.891 -9.223 1.00 12.14 N ATOM 808 CA TRP A 56 1.373 21.117 -7.957 1.00 31.21 C ATOM 809 C TRP A 56 2.268 21.865 -6.976 1.00 4.13 C ATOM 810 O TRP A 56 1.782 22.538 -6.066 1.00 63.21 O ATOM 811 CB TRP A 56 0.930 19.785 -7.349 1.00 24.21 C ATOM 812 CG TRP A 56 -0.236 19.167 -8.058 1.00 73.31 C ATOM 813 CD1 TRP A 56 -0.462 19.151 -9.405 1.00 33.12 C ATOM 814 CD2 TRP A 56 -1.337 18.477 -7.456 1.00 71.45 C ATOM 815 NE1 TRP A 56 -1.637 18.493 -9.677 1.00 33.43 N ATOM 816 CE2 TRP A 56 -2.193 18.069 -8.499 1.00 24.54 C ATOM 817 CE3 TRP A 56 -1.682 18.162 -6.139 1.00 74.25 C ATOM 818 CZ2 TRP A 56 -3.370 17.364 -8.262 1.00 11.11 C ATOM 819 CZ3 TRP A 56 -2.851 17.463 -5.906 1.00 75.03 C ATOM 820 CH2 TRP A 56 -3.684 17.070 -6.963 1.00 24.42 C ATOM 0 H TRP A 56 2.660 20.065 -9.236 1.00 12.14 H new ATOM 0 HA TRP A 56 0.493 21.729 -8.155 1.00 31.21 H new ATOM 0 HB2 TRP A 56 1.768 19.089 -7.368 1.00 24.21 H new ATOM 0 HB3 TRP A 56 0.669 19.941 -6.302 1.00 24.21 H new ATOM 0 HD1 TRP A 56 0.188 19.591 -10.147 1.00 33.12 H new ATOM 0 HE1 TRP A 56 -2.032 18.344 -10.606 1.00 33.43 H new ATOM 0 HE3 TRP A 56 -1.046 18.460 -5.318 1.00 74.25 H new ATOM 0 HZ2 TRP A 56 -4.013 17.060 -9.075 1.00 11.11 H new ATOM 0 HZ3 TRP A 56 -3.128 17.215 -4.892 1.00 75.03 H new ATOM 0 HH2 TRP A 56 -4.591 16.525 -6.748 1.00 24.42 H new ATOM 831 N TYR A 57 3.577 21.744 -7.166 1.00 4.24 N ATOM 832 CA TYR A 57 4.541 22.408 -6.295 1.00 54.02 C ATOM 833 C TYR A 57 4.227 23.896 -6.170 1.00 32.21 C ATOM 834 O TYR A 57 4.278 24.463 -5.078 1.00 74.42 O ATOM 835 CB TYR A 57 5.960 22.218 -6.832 1.00 43.31 C ATOM 836 CG TYR A 57 6.994 23.063 -6.122 1.00 50.23 C ATOM 837 CD1 TYR A 57 7.611 22.612 -4.962 1.00 65.04 C ATOM 838 CD2 TYR A 57 7.354 24.313 -6.613 1.00 32.45 C ATOM 839 CE1 TYR A 57 8.556 23.381 -4.310 1.00 52.04 C ATOM 840 CE2 TYR A 57 8.298 25.088 -5.968 1.00 23.11 C ATOM 841 CZ TYR A 57 8.896 24.618 -4.817 1.00 60.01 C ATOM 842 OH TYR A 57 9.837 25.386 -4.171 1.00 43.43 O ATOM 0 H TYR A 57 3.995 21.193 -7.915 1.00 4.24 H new ATOM 0 HA TYR A 57 4.471 21.956 -5.306 1.00 54.02 H new ATOM 0 HB2 TYR A 57 6.236 21.168 -6.741 1.00 43.31 H new ATOM 0 HB3 TYR A 57 5.973 22.460 -7.895 1.00 43.31 H new ATOM 0 HD1 TYR A 57 7.348 21.644 -4.563 1.00 65.04 H new ATOM 0 HD2 TYR A 57 6.888 24.684 -7.514 1.00 32.45 H new ATOM 0 HE1 TYR A 57 9.026 23.016 -3.409 1.00 52.04 H new ATOM 0 HE2 TYR A 57 8.567 26.057 -6.363 1.00 23.11 H new ATOM 0 HH TYR A 57 9.467 26.276 -3.993 1.00 43.43 H new ATOM 852 N ASP A 58 3.902 24.522 -7.296 1.00 33.34 N ATOM 853 CA ASP A 58 3.577 25.943 -7.314 1.00 3.43 C ATOM 854 C ASP A 58 2.315 26.223 -6.504 1.00 53.04 C ATOM 855 O ASP A 58 2.156 27.305 -5.938 1.00 73.04 O ATOM 856 CB ASP A 58 3.394 26.428 -8.753 1.00 14.14 C ATOM 857 CG ASP A 58 3.430 27.940 -8.863 1.00 63.35 C ATOM 858 OD1 ASP A 58 2.555 28.600 -8.265 1.00 42.32 O ATOM 859 OD2 ASP A 58 4.335 28.462 -9.548 1.00 13.13 O ATOM 0 H ASP A 58 3.857 24.067 -8.208 1.00 33.34 H new ATOM 0 HA ASP A 58 4.406 26.486 -6.859 1.00 3.43 H new ATOM 0 HB2 ASP A 58 4.178 26.002 -9.379 1.00 14.14 H new ATOM 0 HB3 ASP A 58 2.443 26.061 -9.139 1.00 14.14 H new ATOM 864 N ILE A 59 1.420 25.242 -6.455 1.00 62.24 N ATOM 865 CA ILE A 59 0.172 25.383 -5.716 1.00 22.23 C ATOM 866 C ILE A 59 0.403 25.241 -4.215 1.00 64.22 C ATOM 867 O ILE A 59 -0.016 26.089 -3.428 1.00 55.32 O ATOM 868 CB ILE A 59 -0.869 24.340 -6.164 1.00 40.32 C ATOM 869 CG1 ILE A 59 -1.170 24.497 -7.656 1.00 43.13 C ATOM 870 CG2 ILE A 59 -2.143 24.478 -5.344 1.00 71.43 C ATOM 871 CD1 ILE A 59 -1.854 23.293 -8.265 1.00 21.15 C ATOM 0 H ILE A 59 1.536 24.341 -6.919 1.00 62.24 H new ATOM 0 HA ILE A 59 -0.210 26.381 -5.930 1.00 22.23 H new ATOM 0 HB ILE A 59 -0.459 23.344 -5.998 1.00 40.32 H new ATOM 0 HG12 ILE A 59 -1.800 25.374 -7.801 1.00 43.13 H new ATOM 0 HG13 ILE A 59 -0.237 24.683 -8.189 1.00 43.13 H new ATOM 0 HG21 ILE A 59 -2.869 23.734 -5.672 1.00 71.43 H new ATOM 0 HG22 ILE A 59 -1.916 24.322 -4.289 1.00 71.43 H new ATOM 0 HG23 ILE A 59 -2.558 25.476 -5.482 1.00 71.43 H new ATOM 0 HD11 ILE A 59 -2.036 23.475 -9.324 1.00 21.15 H new ATOM 0 HD12 ILE A 59 -1.216 22.416 -8.152 1.00 21.15 H new ATOM 0 HD13 ILE A 59 -2.803 23.119 -7.758 1.00 21.15 H new ATOM 883 N VAL A 60 1.076 24.163 -3.825 1.00 60.40 N ATOM 884 CA VAL A 60 1.367 23.910 -2.419 1.00 15.23 C ATOM 885 C VAL A 60 2.314 24.964 -1.856 1.00 32.45 C ATOM 886 O VAL A 60 2.323 25.224 -0.653 1.00 53.40 O ATOM 887 CB VAL A 60 1.988 22.516 -2.216 1.00 30.44 C ATOM 888 CG1 VAL A 60 0.987 21.428 -2.572 1.00 73.51 C ATOM 889 CG2 VAL A 60 3.258 22.374 -3.040 1.00 63.43 C ATOM 0 H VAL A 60 1.430 23.451 -4.463 1.00 60.40 H new ATOM 0 HA VAL A 60 0.418 23.957 -1.886 1.00 15.23 H new ATOM 0 HB VAL A 60 2.250 22.404 -1.164 1.00 30.44 H new ATOM 0 HG11 VAL A 60 1.444 20.450 -2.422 1.00 73.51 H new ATOM 0 HG12 VAL A 60 0.108 21.519 -1.934 1.00 73.51 H new ATOM 0 HG13 VAL A 60 0.690 21.534 -3.616 1.00 73.51 H new ATOM 0 HG21 VAL A 60 3.684 21.383 -2.884 1.00 63.43 H new ATOM 0 HG22 VAL A 60 3.023 22.506 -4.096 1.00 63.43 H new ATOM 0 HG23 VAL A 60 3.979 23.131 -2.731 1.00 63.43 H new ATOM 899 N GLU A 61 3.110 25.566 -2.734 1.00 14.14 N ATOM 900 CA GLU A 61 4.061 26.592 -2.323 1.00 23.42 C ATOM 901 C GLU A 61 3.354 27.919 -2.065 1.00 74.22 C ATOM 902 O GLU A 61 3.770 28.700 -1.210 1.00 64.23 O ATOM 903 CB GLU A 61 5.140 26.775 -3.392 1.00 41.52 C ATOM 904 CG GLU A 61 6.044 27.971 -3.145 1.00 42.45 C ATOM 905 CD GLU A 61 7.139 28.100 -4.187 1.00 21.33 C ATOM 906 OE1 GLU A 61 6.810 28.317 -5.371 1.00 54.23 O ATOM 907 OE2 GLU A 61 8.326 27.983 -3.816 1.00 61.30 O ATOM 0 H GLU A 61 3.115 25.361 -3.733 1.00 14.14 H new ATOM 0 HA GLU A 61 4.530 26.265 -1.395 1.00 23.42 H new ATOM 0 HB2 GLU A 61 5.750 25.873 -3.439 1.00 41.52 H new ATOM 0 HB3 GLU A 61 4.661 26.887 -4.365 1.00 41.52 H new ATOM 0 HG2 GLU A 61 5.444 28.881 -3.140 1.00 42.45 H new ATOM 0 HG3 GLU A 61 6.496 27.882 -2.157 1.00 42.45 H new ATOM 914 N GLN A 62 2.282 28.166 -2.812 1.00 20.13 N ATOM 915 CA GLN A 62 1.517 29.399 -2.665 1.00 63.31 C ATOM 916 C GLN A 62 0.412 29.233 -1.628 1.00 15.31 C ATOM 917 O GLN A 62 -0.014 30.203 -0.999 1.00 24.34 O ATOM 918 CB GLN A 62 0.915 29.813 -4.009 1.00 32.32 C ATOM 919 CG GLN A 62 -0.178 28.877 -4.500 1.00 22.22 C ATOM 920 CD GLN A 62 -0.917 29.424 -5.705 1.00 12.22 C ATOM 921 OE1 GLN A 62 -1.871 30.191 -5.567 1.00 22.12 O ATOM 922 NE2 GLN A 62 -0.480 29.033 -6.896 1.00 31.40 N ATOM 0 H GLN A 62 1.924 27.529 -3.524 1.00 20.13 H new ATOM 0 HA GLN A 62 2.196 30.180 -2.323 1.00 63.31 H new ATOM 0 HB2 GLN A 62 0.507 30.820 -3.920 1.00 32.32 H new ATOM 0 HB3 GLN A 62 1.708 29.855 -4.755 1.00 32.32 H new ATOM 0 HG2 GLN A 62 0.262 27.913 -4.755 1.00 22.22 H new ATOM 0 HG3 GLN A 62 -0.889 28.699 -3.693 1.00 22.22 H new ATOM 0 HE21 GLN A 62 0.314 28.396 -6.964 1.00 31.40 H new ATOM 0 HE22 GLN A 62 -0.938 29.369 -7.743 1.00 31.40 H new ATOM 931 N HIS A 63 -0.051 27.999 -1.455 1.00 0.23 N ATOM 932 CA HIS A 63 -1.108 27.707 -0.493 1.00 61.20 C ATOM 933 C HIS A 63 -0.555 27.675 0.929 1.00 53.23 C ATOM 934 O HIS A 63 -1.284 27.904 1.893 1.00 30.22 O ATOM 935 CB HIS A 63 -1.772 26.370 -0.824 1.00 53.12 C ATOM 936 CG HIS A 63 -2.948 26.053 0.048 1.00 50.31 C ATOM 937 ND1 HIS A 63 -3.869 27.001 0.443 1.00 23.42 N ATOM 938 CD2 HIS A 63 -3.352 24.885 0.600 1.00 44.12 C ATOM 939 CE1 HIS A 63 -4.787 26.429 1.202 1.00 2.21 C ATOM 940 NE2 HIS A 63 -4.496 25.145 1.312 1.00 12.44 N ATOM 0 H HIS A 63 0.289 27.186 -1.968 1.00 0.23 H new ATOM 0 HA HIS A 63 -1.853 28.500 -0.557 1.00 61.20 H new ATOM 0 HB2 HIS A 63 -2.095 26.382 -1.865 1.00 53.12 H new ATOM 0 HB3 HIS A 63 -1.034 25.574 -0.728 1.00 53.12 H new ATOM 0 HD2 HIS A 63 -2.865 23.927 0.499 1.00 44.12 H new ATOM 0 HE1 HIS A 63 -5.632 26.927 1.655 1.00 2.21 H new ATOM 0 HE2 HIS A 63 -5.034 24.458 1.840 1.00 12.44 H new ATOM 948 N ASN A 64 0.737 27.390 1.050 1.00 61.40 N ATOM 949 CA ASN A 64 1.387 27.327 2.354 1.00 31.21 C ATOM 950 C ASN A 64 2.480 28.385 2.469 1.00 53.21 C ATOM 951 O ASN A 64 3.353 28.485 1.608 1.00 51.13 O ATOM 952 CB ASN A 64 1.982 25.936 2.584 1.00 11.11 C ATOM 953 CG ASN A 64 0.994 24.984 3.230 1.00 11.11 C ATOM 954 OD1 ASN A 64 0.075 24.489 2.578 1.00 71.23 O ATOM 955 ND2 ASN A 64 1.179 24.724 4.519 1.00 4.00 N ATOM 0 H ASN A 64 1.355 27.199 0.261 1.00 61.40 H new ATOM 0 HA ASN A 64 0.634 27.524 3.117 1.00 31.21 H new ATOM 0 HB2 ASN A 64 2.311 25.522 1.631 1.00 11.11 H new ATOM 0 HB3 ASN A 64 2.866 26.022 3.216 1.00 11.11 H new ATOM 0 HD21 ASN A 64 0.546 24.091 5.008 1.00 4.00 H new ATOM 0 HD22 ASN A 64 1.955 25.157 5.020 1.00 4.00 H new ATOM 962 N GLU A 65 2.424 29.172 3.539 1.00 52.11 N ATOM 963 CA GLU A 65 3.409 30.223 3.766 1.00 60.13 C ATOM 964 C GLU A 65 4.637 29.671 4.484 1.00 44.33 C ATOM 965 O GLU A 65 4.542 28.715 5.254 1.00 52.32 O ATOM 966 CB GLU A 65 2.795 31.361 4.584 1.00 73.32 C ATOM 967 CG GLU A 65 2.453 30.968 6.011 1.00 10.34 C ATOM 968 CD GLU A 65 1.550 31.977 6.693 1.00 14.35 C ATOM 969 OE1 GLU A 65 2.078 32.925 7.311 1.00 11.13 O ATOM 970 OE2 GLU A 65 0.314 31.819 6.609 1.00 73.42 O ATOM 0 H GLU A 65 1.708 29.102 4.262 1.00 52.11 H new ATOM 0 HA GLU A 65 3.720 30.610 2.796 1.00 60.13 H new ATOM 0 HB2 GLU A 65 3.491 32.200 4.604 1.00 73.32 H new ATOM 0 HB3 GLU A 65 1.891 31.709 4.085 1.00 73.32 H new ATOM 0 HG2 GLU A 65 1.966 29.993 6.009 1.00 10.34 H new ATOM 0 HG3 GLU A 65 3.373 30.863 6.586 1.00 10.34 H new ATOM 977 N ILE A 66 5.790 30.280 4.225 1.00 53.31 N ATOM 978 CA ILE A 66 7.036 29.851 4.846 1.00 24.12 C ATOM 979 C ILE A 66 7.544 30.893 5.837 1.00 62.00 C ATOM 980 O ILE A 66 7.602 32.083 5.527 1.00 63.21 O ATOM 981 CB ILE A 66 8.128 29.586 3.793 1.00 61.41 C ATOM 982 CG1 ILE A 66 8.218 30.757 2.813 1.00 13.41 C ATOM 983 CG2 ILE A 66 7.844 28.288 3.051 1.00 50.22 C ATOM 984 CD1 ILE A 66 9.283 30.580 1.754 1.00 24.44 C ATOM 0 H ILE A 66 5.886 31.072 3.589 1.00 53.31 H new ATOM 0 HA ILE A 66 6.821 28.923 5.376 1.00 24.12 H new ATOM 0 HB ILE A 66 9.087 29.489 4.302 1.00 61.41 H new ATOM 0 HG12 ILE A 66 7.252 30.887 2.326 1.00 13.41 H new ATOM 0 HG13 ILE A 66 8.420 31.672 3.370 1.00 13.41 H new ATOM 0 HG21 ILE A 66 8.624 28.114 2.310 1.00 50.22 H new ATOM 0 HG22 ILE A 66 7.826 27.460 3.760 1.00 50.22 H new ATOM 0 HG23 ILE A 66 6.878 28.359 2.551 1.00 50.22 H new ATOM 0 HD11 ILE A 66 9.289 31.448 1.095 1.00 24.44 H new ATOM 0 HD12 ILE A 66 10.258 30.480 2.231 1.00 24.44 H new ATOM 0 HD13 ILE A 66 9.071 29.684 1.171 1.00 24.44 H new ATOM 996 N SER A 67 7.913 30.437 7.030 1.00 54.20 N ATOM 997 CA SER A 67 8.414 31.330 8.068 1.00 43.11 C ATOM 998 C SER A 67 9.921 31.528 7.932 1.00 11.43 C ATOM 999 O SER A 67 10.540 31.038 6.988 1.00 22.11 O ATOM 1000 CB SER A 67 8.085 30.772 9.454 1.00 74.14 C ATOM 1001 OG SER A 67 6.701 30.491 9.574 1.00 12.24 O ATOM 0 H SER A 67 7.874 29.455 7.301 1.00 54.20 H new ATOM 0 HA SER A 67 7.925 32.297 7.948 1.00 43.11 H new ATOM 0 HB2 SER A 67 8.661 29.863 9.630 1.00 74.14 H new ATOM 0 HB3 SER A 67 8.381 31.490 10.219 1.00 74.14 H new ATOM 0 HG SER A 67 6.516 30.134 10.468 1.00 12.24 H new ATOM 1007 N ASP A 68 10.504 32.251 8.883 1.00 71.24 N ATOM 1008 CA ASP A 68 11.938 32.514 8.871 1.00 2.13 C ATOM 1009 C ASP A 68 12.730 31.210 8.879 1.00 41.33 C ATOM 1010 O ASP A 68 13.781 31.108 8.247 1.00 50.43 O ATOM 1011 CB ASP A 68 12.331 33.370 10.076 1.00 15.43 C ATOM 1012 CG ASP A 68 13.827 33.378 10.319 1.00 61.42 C ATOM 1013 OD1 ASP A 68 14.540 34.118 9.610 1.00 51.55 O ATOM 1014 OD2 ASP A 68 14.285 32.643 11.218 1.00 24.04 O ATOM 0 H ASP A 68 10.006 32.665 9.671 1.00 71.24 H new ATOM 0 HA ASP A 68 12.175 33.057 7.956 1.00 2.13 H new ATOM 0 HB2 ASP A 68 11.986 34.392 9.919 1.00 15.43 H new ATOM 0 HB3 ASP A 68 11.824 32.995 10.965 1.00 15.43 H new ATOM 1019 N GLU A 69 12.218 30.217 9.599 1.00 64.01 N ATOM 1020 CA GLU A 69 12.880 28.921 9.689 1.00 31.44 C ATOM 1021 C GLU A 69 12.554 28.057 8.474 1.00 51.40 C ATOM 1022 O GLU A 69 13.415 27.349 7.955 1.00 64.41 O ATOM 1023 CB GLU A 69 12.459 28.197 10.970 1.00 22.13 C ATOM 1024 CG GLU A 69 10.965 27.932 11.057 1.00 4.43 C ATOM 1025 CD GLU A 69 10.560 27.306 12.377 1.00 31.04 C ATOM 1026 OE1 GLU A 69 11.258 26.377 12.833 1.00 21.50 O ATOM 1027 OE2 GLU A 69 9.544 27.746 12.955 1.00 54.13 O ATOM 0 H GLU A 69 11.348 30.285 10.128 1.00 64.01 H new ATOM 0 HA GLU A 69 13.956 29.093 9.713 1.00 31.44 H new ATOM 0 HB2 GLU A 69 12.992 27.248 11.033 1.00 22.13 H new ATOM 0 HB3 GLU A 69 12.765 28.792 11.831 1.00 22.13 H new ATOM 0 HG2 GLU A 69 10.425 28.869 10.923 1.00 4.43 H new ATOM 0 HG3 GLU A 69 10.668 27.274 10.241 1.00 4.43 H new ATOM 1034 N GLU A 70 11.304 28.123 8.027 1.00 54.11 N ATOM 1035 CA GLU A 70 10.864 27.347 6.874 1.00 74.51 C ATOM 1036 C GLU A 70 11.588 27.794 5.608 1.00 41.43 C ATOM 1037 O GLU A 70 12.264 27.002 4.954 1.00 64.33 O ATOM 1038 CB GLU A 70 9.351 27.484 6.685 1.00 4.41 C ATOM 1039 CG GLU A 70 8.718 26.307 5.964 1.00 62.44 C ATOM 1040 CD GLU A 70 7.258 26.117 6.326 1.00 22.23 C ATOM 1041 OE1 GLU A 70 6.733 26.930 7.115 1.00 11.12 O ATOM 1042 OE2 GLU A 70 6.641 25.156 5.822 1.00 61.50 O ATOM 0 H GLU A 70 10.579 28.705 8.446 1.00 54.11 H new ATOM 0 HA GLU A 70 11.106 26.301 7.060 1.00 74.51 H new ATOM 0 HB2 GLU A 70 8.880 27.597 7.662 1.00 4.41 H new ATOM 0 HB3 GLU A 70 9.145 28.396 6.125 1.00 4.41 H new ATOM 0 HG2 GLU A 70 8.805 26.456 4.888 1.00 62.44 H new ATOM 0 HG3 GLU A 70 9.270 25.398 6.206 1.00 62.44 H new ATOM 1049 N ASN A 71 11.440 29.071 5.269 1.00 63.04 N ATOM 1050 CA ASN A 71 12.079 29.625 4.080 1.00 2.14 C ATOM 1051 C ASN A 71 13.587 29.394 4.116 1.00 51.23 C ATOM 1052 O ASN A 71 14.239 29.323 3.074 1.00 72.22 O ATOM 1053 CB ASN A 71 11.784 31.122 3.968 1.00 14.12 C ATOM 1054 CG ASN A 71 12.527 31.774 2.818 1.00 25.44 C ATOM 1055 OD1 ASN A 71 13.122 32.840 2.974 1.00 5.14 O ATOM 1056 ND2 ASN A 71 12.497 31.133 1.655 1.00 14.35 N ATOM 0 H ASN A 71 10.884 29.741 5.800 1.00 63.04 H new ATOM 0 HA ASN A 71 11.671 29.115 3.207 1.00 2.14 H new ATOM 0 HB2 ASN A 71 10.712 31.269 3.834 1.00 14.12 H new ATOM 0 HB3 ASN A 71 12.060 31.614 4.901 1.00 14.12 H new ATOM 0 HD21 ASN A 71 12.980 31.522 0.845 1.00 14.35 H new ATOM 0 HD22 ASN A 71 11.991 30.251 1.572 1.00 14.35 H new ATOM 1063 N ASP A 72 14.134 29.278 5.321 1.00 72.23 N ATOM 1064 CA ASP A 72 15.564 29.053 5.493 1.00 44.24 C ATOM 1065 C ASP A 72 15.947 27.639 5.068 1.00 63.04 C ATOM 1066 O ASP A 72 17.073 27.394 4.636 1.00 63.30 O ATOM 1067 CB ASP A 72 15.968 29.288 6.949 1.00 11.30 C ATOM 1068 CG ASP A 72 17.436 29.000 7.197 1.00 55.31 C ATOM 1069 OD1 ASP A 72 18.275 29.852 6.839 1.00 65.14 O ATOM 1070 OD2 ASP A 72 17.744 27.923 7.748 1.00 3.04 O ATOM 0 H ASP A 72 13.608 29.336 6.193 1.00 72.23 H new ATOM 0 HA ASP A 72 16.096 29.761 4.858 1.00 44.24 H new ATOM 0 HB2 ASP A 72 15.753 30.322 7.220 1.00 11.30 H new ATOM 0 HB3 ASP A 72 15.362 28.655 7.598 1.00 11.30 H new ATOM 1075 N MET A 73 15.003 26.712 5.194 1.00 10.42 N ATOM 1076 CA MET A 73 15.242 25.323 4.823 1.00 70.40 C ATOM 1077 C MET A 73 15.668 25.216 3.362 1.00 34.51 C ATOM 1078 O MET A 73 16.459 24.345 2.998 1.00 61.13 O ATOM 1079 CB MET A 73 13.984 24.485 5.063 1.00 65.24 C ATOM 1080 CG MET A 73 13.569 24.416 6.523 1.00 4.03 C ATOM 1081 SD MET A 73 12.690 22.894 6.924 1.00 14.14 S ATOM 1082 CE MET A 73 14.028 21.887 7.559 1.00 34.30 C ATOM 0 H MET A 73 14.066 26.898 5.550 1.00 10.42 H new ATOM 0 HA MET A 73 16.049 24.940 5.447 1.00 70.40 H new ATOM 0 HB2 MET A 73 13.163 24.902 4.480 1.00 65.24 H new ATOM 0 HB3 MET A 73 14.155 23.474 4.694 1.00 65.24 H new ATOM 0 HG2 MET A 73 14.455 24.496 7.153 1.00 4.03 H new ATOM 0 HG3 MET A 73 12.934 25.270 6.757 1.00 4.03 H new ATOM 0 HE1 MET A 73 13.642 20.910 7.851 1.00 34.30 H new ATOM 0 HE2 MET A 73 14.787 21.761 6.787 1.00 34.30 H new ATOM 0 HE3 MET A 73 14.471 22.376 8.427 1.00 34.30 H new ATOM 1092 N LEU A 74 15.138 26.105 2.530 1.00 72.14 N ATOM 1093 CA LEU A 74 15.463 26.110 1.107 1.00 11.25 C ATOM 1094 C LEU A 74 16.932 26.454 0.886 1.00 4.11 C ATOM 1095 O LEU A 74 17.593 25.875 0.023 1.00 34.02 O ATOM 1096 CB LEU A 74 14.576 27.111 0.365 1.00 33.01 C ATOM 1097 CG LEU A 74 14.792 27.208 -1.145 1.00 44.54 C ATOM 1098 CD1 LEU A 74 13.503 27.611 -1.845 1.00 22.22 C ATOM 1099 CD2 LEU A 74 15.904 28.198 -1.462 1.00 2.11 C ATOM 0 H LEU A 74 14.482 26.832 2.815 1.00 72.14 H new ATOM 0 HA LEU A 74 15.280 25.110 0.714 1.00 11.25 H new ATOM 0 HB2 LEU A 74 13.534 26.847 0.547 1.00 33.01 H new ATOM 0 HB3 LEU A 74 14.735 28.098 0.799 1.00 33.01 H new ATOM 0 HG LEU A 74 15.090 26.226 -1.513 1.00 44.54 H new ATOM 0 HD11 LEU A 74 13.677 27.675 -2.919 1.00 22.22 H new ATOM 0 HD12 LEU A 74 12.733 26.866 -1.646 1.00 22.22 H new ATOM 0 HD13 LEU A 74 13.175 28.581 -1.472 1.00 22.22 H new ATOM 0 HD21 LEU A 74 16.044 28.254 -2.541 1.00 2.11 H new ATOM 0 HD22 LEU A 74 15.635 29.182 -1.079 1.00 2.11 H new ATOM 0 HD23 LEU A 74 16.830 27.867 -0.993 1.00 2.11 H new ATOM 1111 N ASP A 75 17.438 27.398 1.672 1.00 45.01 N ATOM 1112 CA ASP A 75 18.831 27.817 1.564 1.00 22.12 C ATOM 1113 C ASP A 75 19.772 26.636 1.782 1.00 2.21 C ATOM 1114 O ASP A 75 20.898 26.625 1.282 1.00 73.02 O ATOM 1115 CB ASP A 75 19.134 28.920 2.579 1.00 10.51 C ATOM 1116 CG ASP A 75 20.391 29.694 2.235 1.00 4.30 C ATOM 1117 OD1 ASP A 75 21.481 29.287 2.689 1.00 11.33 O ATOM 1118 OD2 ASP A 75 20.286 30.707 1.512 1.00 10.42 O ATOM 0 H ASP A 75 16.905 27.887 2.391 1.00 45.01 H new ATOM 0 HA ASP A 75 18.991 28.205 0.558 1.00 22.12 H new ATOM 0 HB2 ASP A 75 18.289 29.607 2.627 1.00 10.51 H new ATOM 0 HB3 ASP A 75 19.242 28.478 3.570 1.00 10.51 H new ATOM 1123 N LEU A 76 19.305 25.645 2.532 1.00 31.44 N ATOM 1124 CA LEU A 76 20.105 24.459 2.818 1.00 71.40 C ATOM 1125 C LEU A 76 19.890 23.388 1.753 1.00 21.55 C ATOM 1126 O LEU A 76 20.771 22.567 1.498 1.00 40.35 O ATOM 1127 CB LEU A 76 19.751 23.901 4.198 1.00 63.23 C ATOM 1128 CG LEU A 76 20.399 24.603 5.392 1.00 64.43 C ATOM 1129 CD1 LEU A 76 19.611 25.846 5.773 1.00 71.05 C ATOM 1130 CD2 LEU A 76 20.505 23.652 6.576 1.00 41.53 C ATOM 0 H LEU A 76 18.376 25.639 2.953 1.00 31.44 H new ATOM 0 HA LEU A 76 21.156 24.749 2.809 1.00 71.40 H new ATOM 0 HB2 LEU A 76 18.669 23.946 4.319 1.00 63.23 H new ATOM 0 HB3 LEU A 76 20.031 22.848 4.225 1.00 63.23 H new ATOM 0 HG LEU A 76 21.405 24.910 5.107 1.00 64.43 H new ATOM 0 HD11 LEU A 76 20.087 26.332 6.624 1.00 71.05 H new ATOM 0 HD12 LEU A 76 19.587 26.535 4.929 1.00 71.05 H new ATOM 0 HD13 LEU A 76 18.593 25.564 6.040 1.00 71.05 H new ATOM 0 HD21 LEU A 76 20.968 24.168 7.417 1.00 41.53 H new ATOM 0 HD22 LEU A 76 19.509 23.314 6.862 1.00 41.53 H new ATOM 0 HD23 LEU A 76 21.114 22.792 6.298 1.00 41.53 H new ATOM 1142 N ALA A 77 18.714 23.403 1.135 1.00 71.10 N ATOM 1143 CA ALA A 77 18.385 22.436 0.095 1.00 31.21 C ATOM 1144 C ALA A 77 19.373 22.518 -1.063 1.00 63.32 C ATOM 1145 O ALA A 77 19.420 23.515 -1.783 1.00 42.41 O ATOM 1146 CB ALA A 77 16.965 22.659 -0.403 1.00 51.44 C ATOM 0 H ALA A 77 17.973 24.074 1.336 1.00 71.10 H new ATOM 0 HA ALA A 77 18.454 21.438 0.527 1.00 31.21 H new ATOM 0 HB1 ALA A 77 16.733 21.930 -1.179 1.00 51.44 H new ATOM 0 HB2 ALA A 77 16.266 22.542 0.425 1.00 51.44 H new ATOM 0 HB3 ALA A 77 16.877 23.665 -0.812 1.00 51.44 H new ATOM 1152 N PHE A 78 20.162 21.463 -1.237 1.00 64.23 N ATOM 1153 CA PHE A 78 21.152 21.416 -2.308 1.00 13.33 C ATOM 1154 C PHE A 78 21.085 20.086 -3.052 1.00 64.01 C ATOM 1155 O PHE A 78 21.273 19.022 -2.463 1.00 45.41 O ATOM 1156 CB PHE A 78 22.557 21.627 -1.741 1.00 43.33 C ATOM 1157 CG PHE A 78 22.973 23.070 -1.691 1.00 63.34 C ATOM 1158 CD1 PHE A 78 23.101 23.808 -2.857 1.00 11.32 C ATOM 1159 CD2 PHE A 78 23.236 23.687 -0.479 1.00 40.12 C ATOM 1160 CE1 PHE A 78 23.484 25.135 -2.814 1.00 2.45 C ATOM 1161 CE2 PHE A 78 23.619 25.014 -0.430 1.00 3.23 C ATOM 1162 CZ PHE A 78 23.743 25.739 -1.599 1.00 15.55 C ATOM 0 H PHE A 78 20.136 20.629 -0.650 1.00 64.23 H new ATOM 0 HA PHE A 78 20.928 22.217 -3.012 1.00 13.33 H new ATOM 0 HB2 PHE A 78 22.601 21.210 -0.735 1.00 43.33 H new ATOM 0 HB3 PHE A 78 23.272 21.072 -2.348 1.00 43.33 H new ATOM 0 HD1 PHE A 78 22.899 23.341 -3.810 1.00 11.32 H new ATOM 0 HD2 PHE A 78 23.141 23.125 0.438 1.00 40.12 H new ATOM 0 HE1 PHE A 78 23.581 25.699 -3.730 1.00 2.45 H new ATOM 0 HE2 PHE A 78 23.821 25.484 0.521 1.00 3.23 H new ATOM 0 HZ PHE A 78 24.042 26.776 -1.563 1.00 15.55 H new ATOM 1172 N GLY A 79 20.816 20.155 -4.352 1.00 72.23 N ATOM 1173 CA GLY A 79 20.728 18.950 -5.157 1.00 4.04 C ATOM 1174 C GLY A 79 19.299 18.481 -5.345 1.00 43.23 C ATOM 1175 O GLY A 79 18.994 17.762 -6.298 1.00 4.31 O ATOM 0 H GLY A 79 20.657 21.024 -4.862 1.00 72.23 H new ATOM 0 HA2 GLY A 79 21.178 19.135 -6.133 1.00 4.04 H new ATOM 0 HA3 GLY A 79 21.308 18.158 -4.684 1.00 4.04 H new ATOM 1179 N LEU A 80 18.420 18.887 -4.436 1.00 25.24 N ATOM 1180 CA LEU A 80 17.015 18.502 -4.505 1.00 11.42 C ATOM 1181 C LEU A 80 16.333 19.148 -5.707 1.00 35.32 C ATOM 1182 O LEU A 80 16.803 20.155 -6.235 1.00 43.44 O ATOM 1183 CB LEU A 80 16.292 18.903 -3.218 1.00 1.23 C ATOM 1184 CG LEU A 80 15.028 18.110 -2.883 1.00 2.51 C ATOM 1185 CD1 LEU A 80 15.388 16.726 -2.365 1.00 54.43 C ATOM 1186 CD2 LEU A 80 14.183 18.860 -1.864 1.00 13.24 C ATOM 0 H LEU A 80 18.655 19.483 -3.642 1.00 25.24 H new ATOM 0 HA LEU A 80 16.965 17.419 -4.620 1.00 11.42 H new ATOM 0 HB2 LEU A 80 16.990 18.804 -2.387 1.00 1.23 H new ATOM 0 HB3 LEU A 80 16.027 19.958 -3.287 1.00 1.23 H new ATOM 0 HG LEU A 80 14.443 17.993 -3.795 1.00 2.51 H new ATOM 0 HD11 LEU A 80 14.476 16.176 -2.132 1.00 54.43 H new ATOM 0 HD12 LEU A 80 15.952 16.188 -3.127 1.00 54.43 H new ATOM 0 HD13 LEU A 80 15.995 16.821 -1.464 1.00 54.43 H new ATOM 0 HD21 LEU A 80 13.288 18.281 -1.637 1.00 13.24 H new ATOM 0 HD22 LEU A 80 14.760 19.008 -0.951 1.00 13.24 H new ATOM 0 HD23 LEU A 80 13.895 19.829 -2.272 1.00 13.24 H new ATOM 1198 N THR A 81 15.218 18.561 -6.134 1.00 2.45 N ATOM 1199 CA THR A 81 14.470 19.079 -7.272 1.00 11.11 C ATOM 1200 C THR A 81 13.468 20.142 -6.834 1.00 65.23 C ATOM 1201 O THR A 81 13.214 20.315 -5.642 1.00 51.13 O ATOM 1202 CB THR A 81 13.718 17.954 -8.009 1.00 5.32 C ATOM 1203 OG1 THR A 81 13.090 17.083 -7.062 1.00 21.00 O ATOM 1204 CG2 THR A 81 14.668 17.155 -8.889 1.00 0.34 C ATOM 0 H THR A 81 14.814 17.727 -5.708 1.00 2.45 H new ATOM 0 HA THR A 81 15.197 19.526 -7.951 1.00 11.11 H new ATOM 0 HB THR A 81 12.957 18.409 -8.643 1.00 5.32 H new ATOM 0 HG1 THR A 81 12.486 16.471 -7.531 1.00 21.00 H new ATOM 0 HG21 THR A 81 14.115 16.366 -9.399 1.00 0.34 H new ATOM 0 HG22 THR A 81 15.122 17.816 -9.627 1.00 0.34 H new ATOM 0 HG23 THR A 81 15.448 16.710 -8.272 1.00 0.34 H new ATOM 1212 N ASP A 82 12.903 20.850 -7.805 1.00 53.32 N ATOM 1213 CA ASP A 82 11.927 21.896 -7.520 1.00 32.32 C ATOM 1214 C ASP A 82 10.541 21.299 -7.296 1.00 31.21 C ATOM 1215 O ASP A 82 9.582 22.017 -7.012 1.00 75.01 O ATOM 1216 CB ASP A 82 11.881 22.907 -8.666 1.00 40.12 C ATOM 1217 CG ASP A 82 13.246 23.486 -8.982 1.00 11.40 C ATOM 1218 OD1 ASP A 82 13.766 24.264 -8.155 1.00 5.41 O ATOM 1219 OD2 ASP A 82 13.794 23.161 -10.056 1.00 1.33 O ATOM 0 H ASP A 82 13.104 20.719 -8.796 1.00 53.32 H new ATOM 0 HA ASP A 82 12.235 22.407 -6.608 1.00 32.32 H new ATOM 0 HB2 ASP A 82 11.479 22.424 -9.557 1.00 40.12 H new ATOM 0 HB3 ASP A 82 11.198 23.716 -8.406 1.00 40.12 H new ATOM 1224 N THR A 83 10.442 19.979 -7.427 1.00 0.44 N ATOM 1225 CA THR A 83 9.174 19.286 -7.241 1.00 73.11 C ATOM 1226 C THR A 83 9.094 18.646 -5.860 1.00 12.13 C ATOM 1227 O THR A 83 8.006 18.356 -5.362 1.00 3.05 O ATOM 1228 CB THR A 83 8.967 18.197 -8.311 1.00 52.52 C ATOM 1229 OG1 THR A 83 9.641 16.995 -7.924 1.00 4.20 O ATOM 1230 CG2 THR A 83 9.485 18.663 -9.664 1.00 21.24 C ATOM 0 H THR A 83 11.225 19.369 -7.661 1.00 0.44 H new ATOM 0 HA THR A 83 8.388 20.035 -7.337 1.00 73.11 H new ATOM 0 HB THR A 83 7.898 18.001 -8.397 1.00 52.52 H new ATOM 0 HG1 THR A 83 9.503 16.308 -8.609 1.00 4.20 H new ATOM 0 HG21 THR A 83 9.328 17.878 -10.404 1.00 21.24 H new ATOM 0 HG22 THR A 83 8.949 19.561 -9.969 1.00 21.24 H new ATOM 0 HG23 THR A 83 10.550 18.884 -9.590 1.00 21.24 H new ATOM 1238 N SER A 84 10.252 18.429 -5.245 1.00 43.22 N ATOM 1239 CA SER A 84 10.313 17.820 -3.922 1.00 2.55 C ATOM 1240 C SER A 84 10.392 18.889 -2.835 1.00 70.04 C ATOM 1241 O SER A 84 11.271 19.751 -2.860 1.00 32.23 O ATOM 1242 CB SER A 84 11.520 16.886 -3.822 1.00 23.21 C ATOM 1243 OG SER A 84 11.693 16.416 -2.496 1.00 63.22 O ATOM 0 H SER A 84 11.161 18.666 -5.642 1.00 43.22 H new ATOM 0 HA SER A 84 9.401 17.241 -3.773 1.00 2.55 H new ATOM 0 HB2 SER A 84 11.386 16.040 -4.496 1.00 23.21 H new ATOM 0 HB3 SER A 84 12.418 17.412 -4.145 1.00 23.21 H new ATOM 0 HG SER A 84 12.364 15.702 -2.487 1.00 63.22 H new ATOM 1249 N ARG A 85 9.467 18.825 -1.883 1.00 52.34 N ATOM 1250 CA ARG A 85 9.430 19.787 -0.789 1.00 13.34 C ATOM 1251 C ARG A 85 9.881 19.141 0.518 1.00 13.42 C ATOM 1252 O ARG A 85 9.499 18.012 0.829 1.00 4.22 O ATOM 1253 CB ARG A 85 8.018 20.356 -0.628 1.00 65.25 C ATOM 1254 CG ARG A 85 7.735 21.545 -1.531 1.00 40.41 C ATOM 1255 CD ARG A 85 8.174 22.851 -0.886 1.00 74.12 C ATOM 1256 NE ARG A 85 9.611 23.071 -1.018 1.00 63.24 N ATOM 1257 CZ ARG A 85 10.284 23.977 -0.317 1.00 73.31 C ATOM 1258 NH1 ARG A 85 9.652 24.743 0.561 1.00 33.33 N ATOM 1259 NH2 ARG A 85 11.591 24.117 -0.494 1.00 3.44 N ATOM 0 H ARG A 85 8.734 18.117 -1.847 1.00 52.34 H new ATOM 0 HA ARG A 85 10.116 20.599 -1.030 1.00 13.34 H new ATOM 0 HB2 ARG A 85 7.292 19.570 -0.838 1.00 65.25 H new ATOM 0 HB3 ARG A 85 7.872 20.656 0.410 1.00 65.25 H new ATOM 0 HG2 ARG A 85 8.254 21.414 -2.480 1.00 40.41 H new ATOM 0 HG3 ARG A 85 6.669 21.588 -1.754 1.00 40.41 H new ATOM 0 HD2 ARG A 85 7.637 23.681 -1.345 1.00 74.12 H new ATOM 0 HD3 ARG A 85 7.904 22.842 0.170 1.00 74.12 H new ATOM 0 HE ARG A 85 10.127 22.497 -1.685 1.00 63.24 H new ATOM 0 HH11 ARG A 85 8.647 24.638 0.700 1.00 33.33 H new ATOM 0 HH12 ARG A 85 10.171 25.438 1.098 1.00 33.33 H new ATOM 0 HH21 ARG A 85 12.080 23.529 -1.169 1.00 3.44 H new ATOM 0 HH22 ARG A 85 12.107 24.813 0.045 1.00 3.44 H new ATOM 1273 N LEU A 86 10.695 19.864 1.279 1.00 13.53 N ATOM 1274 CA LEU A 86 11.199 19.362 2.553 1.00 53.31 C ATOM 1275 C LEU A 86 11.814 17.976 2.387 1.00 54.32 C ATOM 1276 O LEU A 86 11.820 17.173 3.318 1.00 33.05 O ATOM 1277 CB LEU A 86 10.072 19.312 3.586 1.00 54.22 C ATOM 1278 CG LEU A 86 9.345 20.631 3.851 1.00 51.32 C ATOM 1279 CD1 LEU A 86 8.134 20.404 4.742 1.00 72.11 C ATOM 1280 CD2 LEU A 86 10.290 21.644 4.481 1.00 63.23 C ATOM 0 H LEU A 86 11.020 20.800 1.036 1.00 13.53 H new ATOM 0 HA LEU A 86 11.974 20.044 2.903 1.00 53.31 H new ATOM 0 HB2 LEU A 86 9.338 18.575 3.258 1.00 54.22 H new ATOM 0 HB3 LEU A 86 10.486 18.953 4.528 1.00 54.22 H new ATOM 0 HG LEU A 86 8.999 21.030 2.898 1.00 51.32 H new ATOM 0 HD11 LEU A 86 7.630 21.354 4.919 1.00 72.11 H new ATOM 0 HD12 LEU A 86 7.447 19.714 4.253 1.00 72.11 H new ATOM 0 HD13 LEU A 86 8.456 19.981 5.693 1.00 72.11 H new ATOM 0 HD21 LEU A 86 9.755 22.576 4.662 1.00 63.23 H new ATOM 0 HD22 LEU A 86 10.667 21.252 5.426 1.00 63.23 H new ATOM 0 HD23 LEU A 86 11.126 21.830 3.807 1.00 63.23 H new ATOM 1292 N GLY A 87 12.332 17.704 1.193 1.00 24.42 N ATOM 1293 CA GLY A 87 12.945 16.415 0.927 1.00 13.04 C ATOM 1294 C GLY A 87 14.459 16.475 0.958 1.00 10.22 C ATOM 1295 O GLY A 87 15.039 17.462 1.413 1.00 15.12 O ATOM 0 H GLY A 87 12.338 18.352 0.406 1.00 24.42 H new ATOM 0 HA2 GLY A 87 12.598 15.692 1.665 1.00 13.04 H new ATOM 0 HA3 GLY A 87 12.619 16.056 -0.049 1.00 13.04 H new ATOM 1299 N CYS A 88 15.101 15.418 0.475 1.00 23.30 N ATOM 1300 CA CYS A 88 16.558 15.353 0.451 1.00 3.14 C ATOM 1301 C CYS A 88 17.049 14.581 -0.769 1.00 55.34 C ATOM 1302 O CYS A 88 17.929 15.043 -1.495 1.00 13.52 O ATOM 1303 CB CYS A 88 17.081 14.696 1.729 1.00 22.43 C ATOM 1304 SG CYS A 88 16.749 15.640 3.235 1.00 53.32 S ATOM 0 H CYS A 88 14.636 14.594 0.094 1.00 23.30 H new ATOM 0 HA CYS A 88 16.941 16.372 0.391 1.00 3.14 H new ATOM 0 HB2 CYS A 88 16.632 13.708 1.826 1.00 22.43 H new ATOM 0 HB3 CYS A 88 18.157 14.549 1.635 1.00 22.43 H new ATOM 0 HG CYS A 88 16.079 16.713 2.936 1.00 53.32 H new ATOM 1310 N GLN A 89 16.474 13.403 -0.988 1.00 53.01 N ATOM 1311 CA GLN A 89 16.855 12.566 -2.120 1.00 15.21 C ATOM 1312 C GLN A 89 15.645 12.249 -2.994 1.00 4.14 C ATOM 1313 O GLN A 89 15.655 11.283 -3.757 1.00 23.45 O ATOM 1314 CB GLN A 89 17.498 11.268 -1.628 1.00 53.41 C ATOM 1315 CG GLN A 89 18.874 11.466 -1.014 1.00 0.34 C ATOM 1316 CD GLN A 89 19.487 10.169 -0.524 1.00 74.22 C ATOM 1317 OE1 GLN A 89 19.296 9.774 0.627 1.00 43.24 O ATOM 1318 NE2 GLN A 89 20.227 9.497 -1.398 1.00 4.01 N ATOM 0 H GLN A 89 15.743 13.007 -0.397 1.00 53.01 H new ATOM 0 HA GLN A 89 17.579 13.117 -2.720 1.00 15.21 H new ATOM 0 HB2 GLN A 89 16.843 10.805 -0.890 1.00 53.41 H new ATOM 0 HB3 GLN A 89 17.579 10.573 -2.464 1.00 53.41 H new ATOM 0 HG2 GLN A 89 19.535 11.920 -1.752 1.00 0.34 H new ATOM 0 HG3 GLN A 89 18.799 12.165 -0.181 1.00 0.34 H new ATOM 0 HE21 GLN A 89 20.359 9.861 -2.342 1.00 4.01 H new ATOM 0 HE22 GLN A 89 20.664 8.616 -1.126 1.00 4.01 H new ATOM 1327 N ILE A 90 14.606 13.068 -2.876 1.00 51.34 N ATOM 1328 CA ILE A 90 13.390 12.875 -3.656 1.00 73.13 C ATOM 1329 C ILE A 90 12.928 11.423 -3.603 1.00 72.42 C ATOM 1330 O ILE A 90 13.281 10.617 -4.464 1.00 64.52 O ATOM 1331 CB ILE A 90 13.593 13.284 -5.127 1.00 62.31 C ATOM 1332 CG1 ILE A 90 14.781 14.240 -5.254 1.00 22.51 C ATOM 1333 CG2 ILE A 90 12.329 13.926 -5.678 1.00 72.42 C ATOM 1334 CD1 ILE A 90 15.021 14.721 -6.668 1.00 24.33 C ATOM 0 H ILE A 90 14.582 13.871 -2.248 1.00 51.34 H new ATOM 0 HA ILE A 90 12.626 13.514 -3.212 1.00 73.13 H new ATOM 0 HB ILE A 90 13.807 12.389 -5.711 1.00 62.31 H new ATOM 0 HG12 ILE A 90 14.613 15.103 -4.609 1.00 22.51 H new ATOM 0 HG13 ILE A 90 15.679 13.740 -4.891 1.00 22.51 H new ATOM 0 HG21 ILE A 90 12.489 14.209 -6.718 1.00 72.42 H new ATOM 0 HG22 ILE A 90 11.504 13.216 -5.618 1.00 72.42 H new ATOM 0 HG23 ILE A 90 12.087 14.813 -5.093 1.00 72.42 H new ATOM 0 HD11 ILE A 90 15.878 15.395 -6.683 1.00 24.33 H new ATOM 0 HD12 ILE A 90 15.220 13.866 -7.314 1.00 24.33 H new ATOM 0 HD13 ILE A 90 14.138 15.249 -7.027 1.00 24.33 H new ATOM 1346 N ILE A 91 12.135 11.097 -2.588 1.00 73.42 N ATOM 1347 CA ILE A 91 11.622 9.742 -2.425 1.00 12.03 C ATOM 1348 C ILE A 91 10.097 9.728 -2.421 1.00 51.42 C ATOM 1349 O ILE A 91 9.462 10.334 -1.557 1.00 34.33 O ATOM 1350 CB ILE A 91 12.133 9.100 -1.121 1.00 72.04 C ATOM 1351 CG1 ILE A 91 12.044 10.099 0.034 1.00 41.21 C ATOM 1352 CG2 ILE A 91 13.563 8.611 -1.297 1.00 74.32 C ATOM 1353 CD1 ILE A 91 12.328 9.485 1.387 1.00 42.21 C ATOM 0 H ILE A 91 11.834 11.752 -1.866 1.00 73.42 H new ATOM 0 HA ILE A 91 11.986 9.163 -3.273 1.00 12.03 H new ATOM 0 HB ILE A 91 11.503 8.243 -0.884 1.00 72.04 H new ATOM 0 HG12 ILE A 91 12.750 10.911 -0.143 1.00 41.21 H new ATOM 0 HG13 ILE A 91 11.047 10.540 0.046 1.00 41.21 H new ATOM 0 HG21 ILE A 91 13.910 8.160 -0.367 1.00 74.32 H new ATOM 0 HG22 ILE A 91 13.598 7.870 -2.095 1.00 74.32 H new ATOM 0 HG23 ILE A 91 14.206 9.453 -1.554 1.00 74.32 H new ATOM 0 HD11 ILE A 91 12.247 10.251 2.158 1.00 42.21 H new ATOM 0 HD12 ILE A 91 11.607 8.692 1.586 1.00 42.21 H new ATOM 0 HD13 ILE A 91 13.335 9.069 1.393 1.00 42.21 H new ATOM 1365 N LEU A 92 9.515 9.033 -3.392 1.00 31.23 N ATOM 1366 CA LEU A 92 8.063 8.938 -3.500 1.00 62.23 C ATOM 1367 C LEU A 92 7.447 8.489 -2.179 1.00 54.22 C ATOM 1368 O LEU A 92 8.157 8.117 -1.244 1.00 55.31 O ATOM 1369 CB LEU A 92 7.678 7.962 -4.613 1.00 61.24 C ATOM 1370 CG LEU A 92 8.206 8.294 -6.010 1.00 20.35 C ATOM 1371 CD1 LEU A 92 8.432 7.021 -6.811 1.00 44.31 C ATOM 1372 CD2 LEU A 92 7.243 9.221 -6.737 1.00 62.53 C ATOM 0 H LEU A 92 10.026 8.527 -4.116 1.00 31.23 H new ATOM 0 HA LEU A 92 7.676 9.928 -3.742 1.00 62.23 H new ATOM 0 HB2 LEU A 92 8.035 6.970 -4.338 1.00 61.24 H new ATOM 0 HB3 LEU A 92 6.590 7.908 -4.661 1.00 61.24 H new ATOM 0 HG LEU A 92 9.162 8.807 -5.905 1.00 20.35 H new ATOM 0 HD11 LEU A 92 8.808 7.276 -7.802 1.00 44.31 H new ATOM 0 HD12 LEU A 92 9.160 6.393 -6.298 1.00 44.31 H new ATOM 0 HD13 LEU A 92 7.491 6.480 -6.908 1.00 44.31 H new ATOM 0 HD21 LEU A 92 7.634 9.447 -7.729 1.00 62.53 H new ATOM 0 HD22 LEU A 92 6.272 8.735 -6.832 1.00 62.53 H new ATOM 0 HD23 LEU A 92 7.132 10.146 -6.172 1.00 62.53 H new ATOM 1384 N THR A 93 6.119 8.525 -2.109 1.00 64.31 N ATOM 1385 CA THR A 93 5.407 8.121 -0.904 1.00 13.23 C ATOM 1386 C THR A 93 3.962 7.750 -1.217 1.00 52.34 C ATOM 1387 O THR A 93 3.414 8.156 -2.243 1.00 22.30 O ATOM 1388 CB THR A 93 5.419 9.238 0.157 1.00 43.21 C ATOM 1389 OG1 THR A 93 4.319 9.070 1.058 1.00 3.42 O ATOM 1390 CG2 THR A 93 5.339 10.608 -0.499 1.00 44.32 C ATOM 0 H THR A 93 5.516 8.830 -2.873 1.00 64.31 H new ATOM 0 HA THR A 93 5.926 7.248 -0.509 1.00 13.23 H new ATOM 0 HB THR A 93 6.355 9.172 0.711 1.00 43.21 H new ATOM 0 HG1 THR A 93 4.350 9.767 1.746 1.00 3.42 H new ATOM 0 HG21 THR A 93 5.349 11.381 0.270 1.00 44.32 H new ATOM 0 HG22 THR A 93 6.194 10.745 -1.162 1.00 44.32 H new ATOM 0 HG23 THR A 93 4.417 10.682 -1.076 1.00 44.32 H new ATOM 1398 N LYS A 94 3.348 6.978 -0.328 1.00 33.51 N ATOM 1399 CA LYS A 94 1.965 6.553 -0.508 1.00 75.21 C ATOM 1400 C LYS A 94 1.033 7.757 -0.601 1.00 43.23 C ATOM 1401 O LYS A 94 -0.091 7.647 -1.090 1.00 2.05 O ATOM 1402 CB LYS A 94 1.532 5.649 0.648 1.00 22.35 C ATOM 1403 CG LYS A 94 0.042 5.703 0.939 1.00 63.13 C ATOM 1404 CD LYS A 94 -0.400 4.534 1.803 1.00 13.32 C ATOM 1405 CE LYS A 94 -0.130 4.797 3.277 1.00 42.23 C ATOM 1406 NZ LYS A 94 -0.910 3.882 4.156 1.00 43.34 N ATOM 0 H LYS A 94 3.787 6.633 0.526 1.00 33.51 H new ATOM 0 HA LYS A 94 1.903 5.994 -1.442 1.00 75.21 H new ATOM 0 HB2 LYS A 94 1.811 4.621 0.418 1.00 22.35 H new ATOM 0 HB3 LYS A 94 2.079 5.935 1.546 1.00 22.35 H new ATOM 0 HG2 LYS A 94 -0.198 6.640 1.442 1.00 63.13 H new ATOM 0 HG3 LYS A 94 -0.513 5.694 0.001 1.00 63.13 H new ATOM 0 HD2 LYS A 94 -1.464 4.352 1.654 1.00 13.32 H new ATOM 0 HD3 LYS A 94 0.125 3.631 1.491 1.00 13.32 H new ATOM 0 HE2 LYS A 94 0.934 4.675 3.479 1.00 42.23 H new ATOM 0 HE3 LYS A 94 -0.382 5.831 3.514 1.00 42.23 H new ATOM 0 HZ1 LYS A 94 -0.698 4.093 5.152 1.00 43.34 H new ATOM 0 HZ2 LYS A 94 -1.927 4.016 3.982 1.00 43.34 H new ATOM 0 HZ3 LYS A 94 -0.651 2.896 3.948 1.00 43.34 H new ATOM 1420 N GLU A 95 1.510 8.906 -0.131 1.00 73.12 N ATOM 1421 CA GLU A 95 0.718 10.130 -0.163 1.00 5.31 C ATOM 1422 C GLU A 95 0.209 10.412 -1.573 1.00 54.23 C ATOM 1423 O GLU A 95 -0.806 11.086 -1.756 1.00 12.11 O ATOM 1424 CB GLU A 95 1.549 11.314 0.337 1.00 65.12 C ATOM 1425 CG GLU A 95 1.475 11.518 1.841 1.00 53.34 C ATOM 1426 CD GLU A 95 1.962 10.311 2.618 1.00 1.34 C ATOM 1427 OE1 GLU A 95 1.238 9.294 2.648 1.00 24.22 O ATOM 1428 OE2 GLU A 95 3.066 10.384 3.197 1.00 21.11 O ATOM 0 H GLU A 95 2.439 9.014 0.276 1.00 73.12 H new ATOM 0 HA GLU A 95 -0.141 9.994 0.494 1.00 5.31 H new ATOM 0 HB2 GLU A 95 2.590 11.163 0.050 1.00 65.12 H new ATOM 0 HB3 GLU A 95 1.209 12.222 -0.161 1.00 65.12 H new ATOM 0 HG2 GLU A 95 2.072 12.387 2.116 1.00 53.34 H new ATOM 0 HG3 GLU A 95 0.445 11.736 2.124 1.00 53.34 H new ATOM 1435 N LEU A 96 0.920 9.893 -2.568 1.00 33.52 N ATOM 1436 CA LEU A 96 0.541 10.088 -3.963 1.00 34.11 C ATOM 1437 C LEU A 96 -0.295 8.916 -4.469 1.00 43.54 C ATOM 1438 O LEU A 96 -0.334 8.642 -5.669 1.00 15.20 O ATOM 1439 CB LEU A 96 1.788 10.253 -4.833 1.00 2.15 C ATOM 1440 CG LEU A 96 2.692 11.439 -4.492 1.00 31.54 C ATOM 1441 CD1 LEU A 96 3.817 11.003 -3.565 1.00 55.30 C ATOM 1442 CD2 LEU A 96 3.255 12.062 -5.760 1.00 51.24 C ATOM 0 H LEU A 96 1.762 9.334 -2.435 1.00 33.52 H new ATOM 0 HA LEU A 96 -0.061 10.994 -4.027 1.00 34.11 H new ATOM 0 HB2 LEU A 96 2.379 9.340 -4.763 1.00 2.15 H new ATOM 0 HB3 LEU A 96 1.472 10.350 -5.872 1.00 2.15 H new ATOM 0 HG LEU A 96 2.094 12.191 -3.976 1.00 31.54 H new ATOM 0 HD11 LEU A 96 4.450 11.860 -3.333 1.00 55.30 H new ATOM 0 HD12 LEU A 96 3.395 10.604 -2.643 1.00 55.30 H new ATOM 0 HD13 LEU A 96 4.414 10.233 -4.054 1.00 55.30 H new ATOM 0 HD21 LEU A 96 3.896 12.904 -5.498 1.00 51.24 H new ATOM 0 HD22 LEU A 96 3.838 11.318 -6.303 1.00 51.24 H new ATOM 0 HD23 LEU A 96 2.436 12.411 -6.389 1.00 51.24 H new ATOM 1454 N ASP A 97 -0.962 8.231 -3.548 1.00 70.51 N ATOM 1455 CA ASP A 97 -1.800 7.090 -3.901 1.00 42.43 C ATOM 1456 C ASP A 97 -2.966 7.526 -4.783 1.00 71.52 C ATOM 1457 O ASP A 97 -3.809 8.320 -4.368 1.00 62.11 O ATOM 1458 CB ASP A 97 -2.327 6.407 -2.639 1.00 25.34 C ATOM 1459 CG ASP A 97 -3.201 7.323 -1.806 1.00 4.45 C ATOM 1460 OD1 ASP A 97 -2.648 8.090 -0.988 1.00 60.44 O ATOM 1461 OD2 ASP A 97 -4.437 7.275 -1.971 1.00 52.32 O ATOM 0 H ASP A 97 -0.939 8.445 -2.551 1.00 70.51 H new ATOM 0 HA ASP A 97 -1.189 6.381 -4.460 1.00 42.43 H new ATOM 0 HB2 ASP A 97 -2.898 5.522 -2.920 1.00 25.34 H new ATOM 0 HB3 ASP A 97 -1.486 6.066 -2.036 1.00 25.34 H new ATOM 1466 N GLY A 98 -3.007 7.000 -6.004 1.00 30.32 N ATOM 1467 CA GLY A 98 -4.073 7.346 -6.926 1.00 0.55 C ATOM 1468 C GLY A 98 -3.860 8.699 -7.575 1.00 52.35 C ATOM 1469 O GLY A 98 -4.750 9.220 -8.249 1.00 73.45 O ATOM 0 H GLY A 98 -2.321 6.340 -6.371 1.00 30.32 H new ATOM 0 HA2 GLY A 98 -4.142 6.582 -7.700 1.00 0.55 H new ATOM 0 HA3 GLY A 98 -5.024 7.347 -6.393 1.00 0.55 H new ATOM 1473 N LEU A 99 -2.679 9.272 -7.372 1.00 61.15 N ATOM 1474 CA LEU A 99 -2.352 10.574 -7.943 1.00 1.33 C ATOM 1475 C LEU A 99 -1.281 10.443 -9.021 1.00 54.23 C ATOM 1476 O LEU A 99 -0.442 9.544 -8.970 1.00 64.23 O ATOM 1477 CB LEU A 99 -1.873 11.527 -6.846 1.00 53.52 C ATOM 1478 CG LEU A 99 -2.866 11.803 -5.716 1.00 50.54 C ATOM 1479 CD1 LEU A 99 -2.202 12.602 -4.605 1.00 61.15 C ATOM 1480 CD2 LEU A 99 -4.087 12.539 -6.248 1.00 15.43 C ATOM 0 H LEU A 99 -1.932 8.856 -6.816 1.00 61.15 H new ATOM 0 HA LEU A 99 -3.254 10.979 -8.401 1.00 1.33 H new ATOM 0 HB2 LEU A 99 -0.961 11.118 -6.410 1.00 53.52 H new ATOM 0 HB3 LEU A 99 -1.607 12.477 -7.309 1.00 53.52 H new ATOM 0 HG LEU A 99 -3.193 10.848 -5.303 1.00 50.54 H new ATOM 0 HD11 LEU A 99 -2.924 12.789 -3.810 1.00 61.15 H new ATOM 0 HD12 LEU A 99 -1.359 12.038 -4.205 1.00 61.15 H new ATOM 0 HD13 LEU A 99 -1.846 13.552 -5.003 1.00 61.15 H new ATOM 0 HD21 LEU A 99 -4.783 12.727 -5.431 1.00 15.43 H new ATOM 0 HD22 LEU A 99 -3.777 13.488 -6.687 1.00 15.43 H new ATOM 0 HD23 LEU A 99 -4.576 11.930 -7.008 1.00 15.43 H new ATOM 1492 N CYS A 100 -1.316 11.346 -9.995 1.00 12.43 N ATOM 1493 CA CYS A 100 -0.348 11.333 -11.085 1.00 63.24 C ATOM 1494 C CYS A 100 0.717 12.406 -10.881 1.00 34.11 C ATOM 1495 O CYS A 100 0.400 13.572 -10.643 1.00 23.45 O ATOM 1496 CB CYS A 100 -1.054 11.547 -12.425 1.00 30.41 C ATOM 1497 SG CYS A 100 -2.011 13.078 -12.519 1.00 20.22 S ATOM 0 H CYS A 100 -2.005 12.096 -10.052 1.00 12.43 H new ATOM 0 HA CYS A 100 0.141 10.359 -11.091 1.00 63.24 H new ATOM 0 HB2 CYS A 100 -0.308 11.548 -13.220 1.00 30.41 H new ATOM 0 HB3 CYS A 100 -1.719 10.704 -12.612 1.00 30.41 H new ATOM 0 HG CYS A 100 -1.393 14.017 -11.866 1.00 20.22 H new ATOM 1503 N VAL A 101 1.980 12.004 -10.974 1.00 43.20 N ATOM 1504 CA VAL A 101 3.092 12.931 -10.799 1.00 21.03 C ATOM 1505 C VAL A 101 4.285 12.527 -11.658 1.00 20.13 C ATOM 1506 O VAL A 101 4.326 11.422 -12.200 1.00 40.45 O ATOM 1507 CB VAL A 101 3.535 13.003 -9.325 1.00 44.54 C ATOM 1508 CG1 VAL A 101 2.414 13.553 -8.457 1.00 21.13 C ATOM 1509 CG2 VAL A 101 3.979 11.633 -8.835 1.00 14.52 C ATOM 0 H VAL A 101 2.259 11.043 -11.170 1.00 43.20 H new ATOM 0 HA VAL A 101 2.738 13.913 -11.113 1.00 21.03 H new ATOM 0 HB VAL A 101 4.385 13.682 -9.251 1.00 44.54 H new ATOM 0 HG11 VAL A 101 2.745 13.597 -7.419 1.00 21.13 H new ATOM 0 HG12 VAL A 101 2.150 14.555 -8.796 1.00 21.13 H new ATOM 0 HG13 VAL A 101 1.543 12.903 -8.533 1.00 21.13 H new ATOM 0 HG21 VAL A 101 4.289 11.702 -7.792 1.00 14.52 H new ATOM 0 HG22 VAL A 101 3.151 10.930 -8.922 1.00 14.52 H new ATOM 0 HG23 VAL A 101 4.816 11.284 -9.440 1.00 14.52 H new ATOM 1519 N ILE A 102 5.254 13.428 -11.776 1.00 40.31 N ATOM 1520 CA ILE A 102 6.449 13.165 -12.568 1.00 21.20 C ATOM 1521 C ILE A 102 7.503 12.432 -11.745 1.00 62.11 C ATOM 1522 O ILE A 102 7.692 12.717 -10.562 1.00 33.03 O ATOM 1523 CB ILE A 102 7.058 14.468 -13.118 1.00 63.25 C ATOM 1524 CG1 ILE A 102 6.059 15.176 -14.036 1.00 22.22 C ATOM 1525 CG2 ILE A 102 8.353 14.174 -13.862 1.00 53.51 C ATOM 1526 CD1 ILE A 102 5.732 14.395 -15.290 1.00 2.53 C ATOM 0 H ILE A 102 5.235 14.347 -11.333 1.00 40.31 H new ATOM 0 HA ILE A 102 6.142 12.536 -13.404 1.00 21.20 H new ATOM 0 HB ILE A 102 7.284 15.128 -12.281 1.00 63.25 H new ATOM 0 HG12 ILE A 102 5.138 15.362 -13.483 1.00 22.22 H new ATOM 0 HG13 ILE A 102 6.463 16.148 -14.318 1.00 22.22 H new ATOM 0 HG21 ILE A 102 8.772 15.105 -14.245 1.00 53.51 H new ATOM 0 HG22 ILE A 102 9.066 13.708 -13.182 1.00 53.51 H new ATOM 0 HG23 ILE A 102 8.150 13.498 -14.693 1.00 53.51 H new ATOM 0 HD11 ILE A 102 5.018 14.957 -15.893 1.00 2.53 H new ATOM 0 HD12 ILE A 102 6.643 14.232 -15.865 1.00 2.53 H new ATOM 0 HD13 ILE A 102 5.298 13.433 -15.017 1.00 2.53 H new ATOM 1538 N LEU A 103 8.190 11.488 -12.379 1.00 75.23 N ATOM 1539 CA LEU A 103 9.228 10.714 -11.707 1.00 15.12 C ATOM 1540 C LEU A 103 10.374 11.615 -11.259 1.00 62.12 C ATOM 1541 O LEU A 103 10.621 12.677 -11.831 1.00 2.13 O ATOM 1542 CB LEU A 103 9.756 9.619 -12.634 1.00 65.24 C ATOM 1543 CG LEU A 103 10.837 10.045 -13.628 1.00 45.12 C ATOM 1544 CD1 LEU A 103 11.354 8.843 -14.403 1.00 24.10 C ATOM 1545 CD2 LEU A 103 10.300 11.104 -14.580 1.00 34.03 C ATOM 0 H LEU A 103 8.047 11.240 -13.358 1.00 75.23 H new ATOM 0 HA LEU A 103 8.788 10.251 -10.824 1.00 15.12 H new ATOM 0 HB2 LEU A 103 10.154 8.811 -12.020 1.00 65.24 H new ATOM 0 HB3 LEU A 103 8.916 9.209 -13.195 1.00 65.24 H new ATOM 0 HG LEU A 103 11.667 10.475 -13.068 1.00 45.12 H new ATOM 0 HD11 LEU A 103 12.122 9.166 -15.105 1.00 24.10 H new ATOM 0 HD12 LEU A 103 11.779 8.118 -13.709 1.00 24.10 H new ATOM 0 HD13 LEU A 103 10.532 8.383 -14.951 1.00 24.10 H new ATOM 0 HD21 LEU A 103 11.083 11.395 -15.280 1.00 34.03 H new ATOM 0 HD22 LEU A 103 9.451 10.700 -15.132 1.00 34.03 H new ATOM 0 HD23 LEU A 103 9.980 11.977 -14.011 1.00 34.03 H new ATOM 1557 N PRO A 104 11.094 11.182 -10.214 1.00 31.44 N ATOM 1558 CA PRO A 104 12.228 11.933 -9.668 1.00 25.41 C ATOM 1559 C PRO A 104 13.425 11.943 -10.613 1.00 23.43 C ATOM 1560 O PRO A 104 14.026 12.989 -10.861 1.00 35.12 O ATOM 1561 CB PRO A 104 12.569 11.176 -8.382 1.00 31.14 C ATOM 1562 CG PRO A 104 12.076 9.790 -8.616 1.00 24.41 C ATOM 1563 CD PRO A 104 10.856 9.925 -9.484 1.00 31.12 C ATOM 0 HA PRO A 104 11.983 12.983 -9.508 1.00 25.41 H new ATOM 0 HB2 PRO A 104 13.642 11.187 -8.189 1.00 31.14 H new ATOM 0 HB3 PRO A 104 12.084 11.628 -7.516 1.00 31.14 H new ATOM 0 HG2 PRO A 104 12.837 9.182 -9.105 1.00 24.41 H new ATOM 0 HG3 PRO A 104 11.832 9.298 -7.674 1.00 24.41 H new ATOM 0 HD2 PRO A 104 10.751 9.079 -10.164 1.00 31.12 H new ATOM 0 HD3 PRO A 104 9.943 9.972 -8.890 1.00 31.12 H new ATOM 1571 N THR A 105 13.768 10.771 -11.139 1.00 23.34 N ATOM 1572 CA THR A 105 14.894 10.645 -12.056 1.00 31.43 C ATOM 1573 C THR A 105 14.553 11.216 -13.427 1.00 15.30 C ATOM 1574 O THR A 105 13.481 11.789 -13.621 1.00 73.40 O ATOM 1575 CB THR A 105 15.325 9.175 -12.218 1.00 34.43 C ATOM 1576 OG1 THR A 105 14.294 8.432 -12.878 1.00 52.03 O ATOM 1577 CG2 THR A 105 15.622 8.546 -10.865 1.00 22.31 C ATOM 0 H THR A 105 13.282 9.895 -10.945 1.00 23.34 H new ATOM 0 HA THR A 105 15.718 11.212 -11.624 1.00 31.43 H new ATOM 0 HB THR A 105 16.233 9.150 -12.820 1.00 34.43 H new ATOM 0 HG1 THR A 105 14.674 7.955 -13.645 1.00 52.03 H new ATOM 0 HG21 THR A 105 15.924 7.508 -11.005 1.00 22.31 H new ATOM 0 HG22 THR A 105 16.427 9.096 -10.377 1.00 22.31 H new ATOM 0 HG23 THR A 105 14.728 8.583 -10.243 1.00 22.31 H new ATOM 1585 N GLU A 106 15.471 11.057 -14.375 1.00 32.30 N ATOM 1586 CA GLU A 106 15.265 11.558 -15.729 1.00 2.03 C ATOM 1587 C GLU A 106 15.120 10.406 -16.719 1.00 51.32 C ATOM 1588 O GLU A 106 15.499 10.523 -17.885 1.00 71.32 O ATOM 1589 CB GLU A 106 16.430 12.459 -16.145 1.00 14.31 C ATOM 1590 CG GLU A 106 16.440 13.805 -15.439 1.00 25.31 C ATOM 1591 CD GLU A 106 15.214 14.639 -15.754 1.00 61.11 C ATOM 1592 OE1 GLU A 106 15.051 15.035 -16.927 1.00 33.10 O ATOM 1593 OE2 GLU A 106 14.417 14.895 -14.827 1.00 45.30 O ATOM 0 H GLU A 106 16.364 10.586 -14.231 1.00 32.30 H new ATOM 0 HA GLU A 106 14.343 12.140 -15.738 1.00 2.03 H new ATOM 0 HB2 GLU A 106 17.368 11.944 -15.940 1.00 14.31 H new ATOM 0 HB3 GLU A 106 16.385 12.623 -17.222 1.00 14.31 H new ATOM 0 HG2 GLU A 106 16.499 13.646 -14.362 1.00 25.31 H new ATOM 0 HG3 GLU A 106 17.334 14.357 -15.729 1.00 25.31 H new ATOM 1600 N THR A 107 14.569 9.293 -16.246 1.00 74.34 N ATOM 1601 CA THR A 107 14.374 8.119 -17.088 1.00 64.11 C ATOM 1602 C THR A 107 13.045 8.189 -17.831 1.00 21.11 C ATOM 1603 O THR A 107 12.192 9.020 -17.519 1.00 60.01 O ATOM 1604 CB THR A 107 14.419 6.821 -16.261 1.00 23.54 C ATOM 1605 OG1 THR A 107 15.255 7.001 -15.112 1.00 33.44 O ATOM 1606 CG2 THR A 107 14.942 5.663 -17.098 1.00 4.12 C ATOM 0 H THR A 107 14.250 9.180 -15.284 1.00 74.34 H new ATOM 0 HA THR A 107 15.190 8.110 -17.810 1.00 64.11 H new ATOM 0 HB THR A 107 13.404 6.586 -15.939 1.00 23.54 H new ATOM 0 HG1 THR A 107 15.277 6.172 -14.590 1.00 33.44 H new ATOM 0 HG21 THR A 107 14.965 4.757 -16.492 1.00 4.12 H new ATOM 0 HG22 THR A 107 14.287 5.509 -17.956 1.00 4.12 H new ATOM 0 HG23 THR A 107 15.949 5.892 -17.446 1.00 4.12 H new ATOM 1614 N ARG A 108 12.875 7.311 -18.814 1.00 41.23 N ATOM 1615 CA ARG A 108 11.649 7.274 -19.602 1.00 11.31 C ATOM 1616 C ARG A 108 11.492 5.927 -20.301 1.00 32.14 C ATOM 1617 O ARG A 108 12.477 5.259 -20.610 1.00 62.24 O ATOM 1618 CB ARG A 108 11.648 8.401 -20.637 1.00 63.30 C ATOM 1619 CG ARG A 108 12.969 8.551 -21.374 1.00 72.14 C ATOM 1620 CD ARG A 108 12.763 9.092 -22.781 1.00 23.04 C ATOM 1621 NE ARG A 108 12.646 10.548 -22.795 1.00 62.43 N ATOM 1622 CZ ARG A 108 12.839 11.290 -23.880 1.00 71.52 C ATOM 1623 NH1 ARG A 108 13.156 10.715 -25.032 1.00 53.24 N ATOM 1624 NH2 ARG A 108 12.714 12.609 -23.814 1.00 21.10 N ATOM 0 H ARG A 108 13.571 6.616 -19.084 1.00 41.23 H new ATOM 0 HA ARG A 108 10.807 7.412 -18.924 1.00 11.31 H new ATOM 0 HB2 ARG A 108 10.856 8.216 -21.362 1.00 63.30 H new ATOM 0 HB3 ARG A 108 11.411 9.341 -20.138 1.00 63.30 H new ATOM 0 HG2 ARG A 108 13.624 9.222 -20.817 1.00 72.14 H new ATOM 0 HG3 ARG A 108 13.471 7.585 -21.424 1.00 72.14 H new ATOM 0 HD2 ARG A 108 13.599 8.789 -23.412 1.00 23.04 H new ATOM 0 HD3 ARG A 108 11.863 8.652 -23.211 1.00 23.04 H new ATOM 0 HE ARG A 108 12.403 11.021 -21.924 1.00 62.43 H new ATOM 0 HH11 ARG A 108 13.252 9.701 -25.086 1.00 53.24 H new ATOM 0 HH12 ARG A 108 13.304 11.287 -25.864 1.00 53.24 H new ATOM 0 HH21 ARG A 108 12.470 13.054 -22.930 1.00 21.10 H new ATOM 0 HH22 ARG A 108 12.862 13.178 -24.648 1.00 21.10 H new ATOM 1638 N ASN A 109 10.246 5.534 -20.545 1.00 13.42 N ATOM 1639 CA ASN A 109 9.959 4.266 -21.206 1.00 4.32 C ATOM 1640 C ASN A 109 8.473 4.143 -21.527 1.00 11.55 C ATOM 1641 O ASN A 109 7.622 4.582 -20.752 1.00 2.51 O ATOM 1642 CB ASN A 109 10.401 3.097 -20.324 1.00 33.43 C ATOM 1643 CG ASN A 109 9.983 1.754 -20.892 1.00 44.14 C ATOM 1644 OD1 ASN A 109 10.186 1.479 -22.075 1.00 73.51 O ATOM 1645 ND2 ASN A 109 9.397 0.911 -20.050 1.00 42.31 N ATOM 0 H ASN A 109 9.419 6.076 -20.295 1.00 13.42 H new ATOM 0 HA ASN A 109 10.517 4.238 -22.142 1.00 4.32 H new ATOM 0 HB2 ASN A 109 11.485 3.120 -20.212 1.00 33.43 H new ATOM 0 HB3 ASN A 109 9.975 3.216 -19.328 1.00 33.43 H new ATOM 0 HD21 ASN A 109 9.095 -0.007 -20.375 1.00 42.31 H new ATOM 0 HD22 ASN A 109 9.249 1.182 -19.078 1.00 42.31 H new ATOM 1652 N ILE A 110 8.168 3.543 -22.672 1.00 41.52 N ATOM 1653 CA ILE A 110 6.785 3.361 -23.094 1.00 51.42 C ATOM 1654 C ILE A 110 6.466 1.886 -23.310 1.00 72.04 C ATOM 1655 O ILE A 110 5.348 1.438 -23.056 1.00 11.24 O ATOM 1656 CB ILE A 110 6.486 4.135 -24.392 1.00 14.33 C ATOM 1657 CG1 ILE A 110 5.008 3.997 -24.764 1.00 50.42 C ATOM 1658 CG2 ILE A 110 7.372 3.635 -25.523 1.00 15.31 C ATOM 1659 CD1 ILE A 110 4.614 4.804 -25.982 1.00 61.40 C ATOM 0 H ILE A 110 8.860 3.174 -23.324 1.00 41.52 H new ATOM 0 HA ILE A 110 6.157 3.753 -22.294 1.00 51.42 H new ATOM 0 HB ILE A 110 6.703 5.190 -24.227 1.00 14.33 H new ATOM 0 HG12 ILE A 110 4.784 2.946 -24.946 1.00 50.42 H new ATOM 0 HG13 ILE A 110 4.398 4.311 -23.917 1.00 50.42 H new ATOM 0 HG21 ILE A 110 7.149 4.192 -26.433 1.00 15.31 H new ATOM 0 HG22 ILE A 110 8.419 3.780 -25.256 1.00 15.31 H new ATOM 0 HG23 ILE A 110 7.184 2.575 -25.691 1.00 15.31 H new ATOM 0 HD11 ILE A 110 3.553 4.659 -26.187 1.00 61.40 H new ATOM 0 HD12 ILE A 110 4.806 5.861 -25.796 1.00 61.40 H new ATOM 0 HD13 ILE A 110 5.198 4.475 -26.841 1.00 61.40 H new ATOM 1671 N SER A 111 7.456 1.135 -23.781 1.00 24.35 N ATOM 1672 CA SER A 111 7.281 -0.291 -24.033 1.00 41.21 C ATOM 1673 C SER A 111 6.711 -0.994 -22.805 1.00 55.12 C ATOM 1674 O SER A 111 7.183 -0.795 -21.686 1.00 2.11 O ATOM 1675 CB SER A 111 8.615 -0.928 -24.426 1.00 61.50 C ATOM 1676 OG SER A 111 8.465 -2.317 -24.668 1.00 40.44 O ATOM 0 H SER A 111 8.388 1.490 -23.996 1.00 24.35 H new ATOM 0 HA SER A 111 6.575 -0.406 -24.856 1.00 41.21 H new ATOM 0 HB2 SER A 111 9.006 -0.440 -25.319 1.00 61.50 H new ATOM 0 HB3 SER A 111 9.345 -0.771 -23.632 1.00 61.50 H new ATOM 0 HG SER A 111 9.331 -2.701 -24.919 1.00 40.44 H new ATOM 1682 N PHE A 112 5.691 -1.817 -23.023 1.00 74.34 N ATOM 1683 CA PHE A 112 5.053 -2.550 -21.935 1.00 64.25 C ATOM 1684 C PHE A 112 5.822 -3.829 -21.618 1.00 23.33 C ATOM 1685 O PHE A 112 6.258 -4.545 -22.519 1.00 61.43 O ATOM 1686 CB PHE A 112 3.606 -2.889 -22.299 1.00 42.31 C ATOM 1687 CG PHE A 112 3.486 -3.927 -23.378 1.00 23.13 C ATOM 1688 CD1 PHE A 112 3.533 -3.565 -24.714 1.00 63.23 C ATOM 1689 CD2 PHE A 112 3.327 -5.265 -23.055 1.00 22.10 C ATOM 1690 CE1 PHE A 112 3.422 -4.519 -25.709 1.00 4.34 C ATOM 1691 CE2 PHE A 112 3.216 -6.223 -24.045 1.00 62.20 C ATOM 1692 CZ PHE A 112 3.265 -5.849 -25.374 1.00 31.44 C ATOM 0 H PHE A 112 5.288 -1.993 -23.943 1.00 74.34 H new ATOM 0 HA PHE A 112 5.058 -1.914 -21.050 1.00 64.25 H new ATOM 0 HB2 PHE A 112 3.089 -3.242 -21.407 1.00 42.31 H new ATOM 0 HB3 PHE A 112 3.099 -1.980 -22.622 1.00 42.31 H new ATOM 0 HD1 PHE A 112 3.658 -2.526 -24.982 1.00 63.23 H new ATOM 0 HD2 PHE A 112 3.289 -5.563 -22.018 1.00 22.10 H new ATOM 0 HE1 PHE A 112 3.458 -4.224 -26.747 1.00 4.34 H new ATOM 0 HE2 PHE A 112 3.091 -7.263 -23.780 1.00 62.20 H new ATOM 0 HZ PHE A 112 3.181 -6.596 -26.150 1.00 31.44 H new ATOM 1702 N VAL A 113 5.986 -4.110 -20.329 1.00 13.23 N ATOM 1703 CA VAL A 113 6.701 -5.302 -19.890 1.00 62.14 C ATOM 1704 C VAL A 113 6.096 -5.867 -18.610 1.00 2.51 C ATOM 1705 O VAL A 113 5.564 -5.126 -17.782 1.00 62.33 O ATOM 1706 CB VAL A 113 8.194 -5.005 -19.653 1.00 32.34 C ATOM 1707 CG1 VAL A 113 8.954 -6.290 -19.361 1.00 30.12 C ATOM 1708 CG2 VAL A 113 8.791 -4.284 -20.851 1.00 55.54 C ATOM 0 H VAL A 113 5.633 -3.527 -19.570 1.00 13.23 H new ATOM 0 HA VAL A 113 6.607 -6.039 -20.688 1.00 62.14 H new ATOM 0 HB VAL A 113 8.283 -4.353 -18.784 1.00 32.34 H new ATOM 0 HG11 VAL A 113 10.007 -6.061 -19.196 1.00 30.12 H new ATOM 0 HG12 VAL A 113 8.542 -6.762 -18.469 1.00 30.12 H new ATOM 0 HG13 VAL A 113 8.859 -6.969 -20.208 1.00 30.12 H new ATOM 0 HG21 VAL A 113 9.846 -4.082 -20.666 1.00 55.54 H new ATOM 0 HG22 VAL A 113 8.691 -4.909 -21.738 1.00 55.54 H new ATOM 0 HG23 VAL A 113 8.264 -3.343 -21.009 1.00 55.54 H new ATOM 1718 N LYS A 114 6.181 -7.183 -18.452 1.00 65.11 N ATOM 1719 CA LYS A 114 5.644 -7.849 -17.271 1.00 44.04 C ATOM 1720 C LYS A 114 6.769 -8.338 -16.364 1.00 13.43 C ATOM 1721 O LYS A 114 7.078 -9.528 -16.329 1.00 43.34 O ATOM 1722 CB LYS A 114 4.759 -9.027 -17.683 1.00 72.15 C ATOM 1723 CG LYS A 114 5.383 -9.915 -18.746 1.00 40.54 C ATOM 1724 CD LYS A 114 4.981 -9.476 -20.145 1.00 25.31 C ATOM 1725 CE LYS A 114 4.899 -10.659 -21.097 1.00 74.34 C ATOM 1726 NZ LYS A 114 6.248 -11.132 -21.513 1.00 41.15 N ATOM 0 H LYS A 114 6.617 -7.810 -19.128 1.00 65.11 H new ATOM 0 HA LYS A 114 5.043 -7.127 -16.719 1.00 44.04 H new ATOM 0 HB2 LYS A 114 4.538 -9.630 -16.802 1.00 72.15 H new ATOM 0 HB3 LYS A 114 3.808 -8.644 -18.054 1.00 72.15 H new ATOM 0 HG2 LYS A 114 6.469 -9.888 -18.653 1.00 40.54 H new ATOM 0 HG3 LYS A 114 5.075 -10.948 -18.585 1.00 40.54 H new ATOM 0 HD2 LYS A 114 4.016 -8.971 -20.106 1.00 25.31 H new ATOM 0 HD3 LYS A 114 5.704 -8.753 -20.523 1.00 25.31 H new ATOM 0 HE2 LYS A 114 4.361 -11.475 -20.616 1.00 74.34 H new ATOM 0 HE3 LYS A 114 4.326 -10.376 -21.980 1.00 74.34 H new ATOM 0 HZ1 LYS A 114 6.148 -11.939 -22.161 1.00 41.15 H new ATOM 0 HZ2 LYS A 114 6.753 -10.361 -21.995 1.00 41.15 H new ATOM 0 HZ3 LYS A 114 6.787 -11.427 -20.674 1.00 41.15 H new ATOM 1740 N ASN A 115 7.375 -7.411 -15.629 1.00 1.20 N ATOM 1741 CA ASN A 115 8.465 -7.748 -14.720 1.00 74.10 C ATOM 1742 C ASN A 115 8.045 -8.852 -13.754 1.00 12.55 C ATOM 1743 O ASN A 115 6.880 -9.247 -13.715 1.00 71.44 O ATOM 1744 CB ASN A 115 8.905 -6.510 -13.937 1.00 45.43 C ATOM 1745 CG ASN A 115 9.554 -5.465 -14.825 1.00 63.30 C ATOM 1746 OD1 ASN A 115 9.133 -4.309 -14.852 1.00 53.02 O ATOM 1747 ND2 ASN A 115 10.586 -5.870 -15.557 1.00 51.41 N ATOM 0 H ASN A 115 7.130 -6.421 -15.645 1.00 1.20 H new ATOM 0 HA ASN A 115 9.303 -8.110 -15.315 1.00 74.10 H new ATOM 0 HB2 ASN A 115 8.040 -6.073 -13.438 1.00 45.43 H new ATOM 0 HB3 ASN A 115 9.606 -6.807 -13.157 1.00 45.43 H new ATOM 0 HD21 ASN A 115 11.063 -5.212 -16.173 1.00 51.41 H new ATOM 0 HD22 ASN A 115 10.901 -6.839 -15.503 1.00 51.41 H new ATOM 1754 N SER A 116 9.002 -9.343 -12.974 1.00 22.43 N ATOM 1755 CA SER A 116 8.733 -10.403 -12.009 1.00 62.30 C ATOM 1756 C SER A 116 8.004 -9.853 -10.787 1.00 22.22 C ATOM 1757 O SER A 116 7.307 -10.585 -10.086 1.00 61.33 O ATOM 1758 CB SER A 116 10.039 -11.074 -11.579 1.00 22.01 C ATOM 1759 OG SER A 116 9.920 -11.639 -10.285 1.00 22.02 O ATOM 0 H SER A 116 9.971 -9.024 -12.991 1.00 22.43 H new ATOM 0 HA SER A 116 8.093 -11.144 -12.489 1.00 62.30 H new ATOM 0 HB2 SER A 116 10.305 -11.851 -12.295 1.00 22.01 H new ATOM 0 HB3 SER A 116 10.847 -10.343 -11.587 1.00 22.01 H new ATOM 0 HG SER A 116 10.767 -12.063 -10.034 1.00 22.02 H new TER 1765 SER A 116