USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 949 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 101 ASN : amide:sc= -1.5 K(o=-0.7,f=-5.4!) USER MOD Set 1.2: A 108 SER OG : rot -27:sc= 0.803 USER MOD Set 2.1: A 49 SER OG : rot 160:sc= 0.0292 USER MOD Set 2.2: A 89 ASN : amide:sc= 0 X(o=0.029,f=0.029) USER MOD Set 3.1: A 68 SER OG : rot -120:sc= 0.0183 USER MOD Set 3.2: A 96 GLN : amide:sc= -1.16 K(o=-1.1,f=0.98) USER MOD Set 4.1: A 21 ASN : amide:sc= -0.605 K(o=-0.48,f=-6.1!) USER MOD Set 4.2: A 23 THR OG1 : rot -80:sc= 0.127 USER MOD Single : A 5 MET CE :methyl 129:sc= -0.0377 (180deg=-1.51) USER MOD Single : A 7 MET CE :methyl -146:sc= -0.738 (180deg=-2.96!) USER MOD Single : A 10 TYR OH : rot 160:sc= 0.011 USER MOD Single : A 15 SER OG : rot -160:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -168:sc= 1.25 (180deg=0.968) USER MOD Single : A 19 LYS NZ :NH3+ 171:sc= 1.43 (180deg=0.853) USER MOD Single : A 22 ASN : amide:sc= -2.73! C(o=-2.7!,f=-9.5!) USER MOD Single : A 24 THR OG1 : rot -13:sc= 1.58 USER MOD Single : A 25 ASN : amide:sc= -0.037 X(o=-0.037,f=-0.38) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 160:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0.49 K(o=0.49,f=-5.1!) USER MOD Single : A 44 TYR OH : rot 22:sc= 0.201 USER MOD Single : A 45 THR OG1 : rot 46:sc= 0.188 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc=-0.00249 X(o=-0.0025,f=-0.059) USER MOD Single : A 63 SER OG : rot 140:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00356 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0.00192 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.74 USER MOD Single : A 86 HIS : no HD1:sc= 0 X(o=0,f=-0.0094) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.16 K(o=-0.16,f=-1.4) USER MOD Single : A 99 CYS SG : rot -58:sc= -1.37 USER MOD Single : A 104 SER OG : rot -8:sc= 0.744 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 CYS SG : rot 40:sc= -4.35! USER MOD Single : A 117 SER OG : rot -25:sc=-0.00576 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 4 4.182 10.621 -8.237 1.00 0.61 N ATOM 2 CA ALA A 4 3.665 9.416 -7.609 1.00 0.53 C ATOM 3 C ALA A 4 3.973 8.178 -8.442 1.00 0.44 C ATOM 4 O ALA A 4 3.521 8.052 -9.583 1.00 0.54 O ATOM 5 CB ALA A 4 2.167 9.548 -7.386 1.00 0.64 C ATOM 0 HA ALA A 4 4.160 9.297 -6.645 1.00 0.53 H new ATOM 0 HB1 ALA A 4 1.788 8.641 -6.915 1.00 0.64 H new ATOM 0 HB2 ALA A 4 1.969 10.403 -6.739 1.00 0.64 H new ATOM 0 HB3 ALA A 4 1.668 9.695 -8.344 1.00 0.64 H new ATOM 11 N MET A 5 4.759 7.277 -7.871 1.00 0.39 N ATOM 12 CA MET A 5 5.081 6.019 -8.525 1.00 0.37 C ATOM 13 C MET A 5 4.122 4.947 -8.036 1.00 0.30 C ATOM 14 O MET A 5 4.124 4.619 -6.855 1.00 0.29 O ATOM 15 CB MET A 5 6.517 5.596 -8.204 1.00 0.43 C ATOM 16 CG MET A 5 7.111 4.635 -9.228 1.00 1.01 C ATOM 17 SD MET A 5 8.820 4.174 -8.865 1.00 1.80 S ATOM 18 CE MET A 5 8.612 3.207 -7.372 1.00 1.60 C ATOM 0 H MET A 5 5.187 7.395 -6.953 1.00 0.39 H new ATOM 0 HA MET A 5 4.987 6.147 -9.603 1.00 0.37 H new ATOM 0 HB2 MET A 5 7.145 6.485 -8.145 1.00 0.43 H new ATOM 0 HB3 MET A 5 6.538 5.125 -7.221 1.00 0.43 H new ATOM 0 HG2 MET A 5 6.499 3.734 -9.268 1.00 1.01 H new ATOM 0 HG3 MET A 5 7.067 5.094 -10.216 1.00 1.01 H new ATOM 0 HE1 MET A 5 9.123 2.251 -7.484 1.00 1.60 H new ATOM 0 HE2 MET A 5 9.035 3.748 -6.526 1.00 1.60 H new ATOM 0 HE3 MET A 5 7.550 3.032 -7.197 1.00 1.60 H new ATOM 28 N PRO A 6 3.278 4.402 -8.922 1.00 0.30 N ATOM 29 CA PRO A 6 2.320 3.356 -8.556 1.00 0.28 C ATOM 30 C PRO A 6 2.976 2.259 -7.726 1.00 0.27 C ATOM 31 O PRO A 6 3.972 1.669 -8.142 1.00 0.30 O ATOM 32 CB PRO A 6 1.873 2.806 -9.909 1.00 0.32 C ATOM 33 CG PRO A 6 2.015 3.958 -10.841 1.00 0.47 C ATOM 34 CD PRO A 6 3.196 4.753 -10.350 1.00 0.36 C ATOM 0 HA PRO A 6 1.501 3.734 -7.945 1.00 0.28 H new ATOM 0 HB2 PRO A 6 2.492 1.964 -10.220 1.00 0.32 H new ATOM 0 HB3 PRO A 6 0.844 2.449 -9.873 1.00 0.32 H new ATOM 0 HG2 PRO A 6 2.175 3.614 -11.863 1.00 0.47 H new ATOM 0 HG3 PRO A 6 1.111 4.567 -10.847 1.00 0.47 H new ATOM 0 HD2 PRO A 6 4.109 4.485 -10.882 1.00 0.36 H new ATOM 0 HD3 PRO A 6 3.046 5.823 -10.492 1.00 0.36 H new ATOM 42 N MET A 7 2.432 2.012 -6.541 1.00 0.24 N ATOM 43 CA MET A 7 3.006 1.029 -5.632 1.00 0.24 C ATOM 44 C MET A 7 2.922 -0.363 -6.248 1.00 0.28 C ATOM 45 O MET A 7 3.741 -1.232 -5.966 1.00 0.32 O ATOM 46 CB MET A 7 2.291 1.069 -4.280 1.00 0.22 C ATOM 47 CG MET A 7 3.232 1.317 -3.109 1.00 0.31 C ATOM 48 SD MET A 7 4.410 -0.030 -2.877 1.00 0.62 S ATOM 49 CE MET A 7 5.121 0.393 -1.288 1.00 0.63 C ATOM 0 H MET A 7 1.596 2.478 -6.188 1.00 0.24 H new ATOM 0 HA MET A 7 4.056 1.272 -5.467 1.00 0.24 H new ATOM 0 HB2 MET A 7 1.533 1.852 -4.300 1.00 0.22 H new ATOM 0 HB3 MET A 7 1.769 0.125 -4.124 1.00 0.22 H new ATOM 0 HG2 MET A 7 3.776 2.247 -3.274 1.00 0.31 H new ATOM 0 HG3 MET A 7 2.648 1.446 -2.198 1.00 0.31 H new ATOM 0 HE1 MET A 7 6.171 0.099 -1.269 1.00 0.63 H new ATOM 0 HE2 MET A 7 5.042 1.468 -1.129 1.00 0.63 H new ATOM 0 HE3 MET A 7 4.584 -0.131 -0.498 1.00 0.63 H new ATOM 59 N ILE A 8 1.927 -0.553 -7.110 1.00 0.29 N ATOM 60 CA ILE A 8 1.790 -1.784 -7.881 1.00 0.33 C ATOM 61 C ILE A 8 2.978 -1.957 -8.825 1.00 0.36 C ATOM 62 O ILE A 8 3.502 -3.060 -8.998 1.00 0.39 O ATOM 63 CB ILE A 8 0.472 -1.787 -8.690 1.00 0.37 C ATOM 64 CG1 ILE A 8 -0.731 -1.793 -7.741 1.00 0.42 C ATOM 65 CG2 ILE A 8 0.412 -2.975 -9.637 1.00 0.47 C ATOM 66 CD1 ILE A 8 -0.790 -3.007 -6.838 1.00 0.51 C ATOM 0 H ILE A 8 1.198 0.137 -7.293 1.00 0.29 H new ATOM 0 HA ILE A 8 1.768 -2.618 -7.180 1.00 0.33 H new ATOM 0 HB ILE A 8 0.440 -0.879 -9.292 1.00 0.37 H new ATOM 0 HG12 ILE A 8 -0.701 -0.894 -7.125 1.00 0.42 H new ATOM 0 HG13 ILE A 8 -1.647 -1.745 -8.330 1.00 0.42 H new ATOM 0 HG21 ILE A 8 -0.526 -2.951 -10.192 1.00 0.47 H new ATOM 0 HG22 ILE A 8 1.248 -2.927 -10.335 1.00 0.47 H new ATOM 0 HG23 ILE A 8 0.470 -3.900 -9.064 1.00 0.47 H new ATOM 0 HD11 ILE A 8 -1.668 -2.940 -6.196 1.00 0.51 H new ATOM 0 HD12 ILE A 8 -0.853 -3.910 -7.446 1.00 0.51 H new ATOM 0 HD13 ILE A 8 0.108 -3.046 -6.222 1.00 0.51 H new ATOM 78 N GLU A 9 3.412 -0.849 -9.410 1.00 0.38 N ATOM 79 CA GLU A 9 4.570 -0.838 -10.292 1.00 0.42 C ATOM 80 C GLU A 9 5.811 -1.253 -9.504 1.00 0.39 C ATOM 81 O GLU A 9 6.637 -2.035 -9.976 1.00 0.39 O ATOM 82 CB GLU A 9 4.765 0.567 -10.866 1.00 0.50 C ATOM 83 CG GLU A 9 5.699 0.629 -12.058 1.00 0.66 C ATOM 84 CD GLU A 9 5.057 0.104 -13.323 1.00 0.86 C ATOM 85 OE1 GLU A 9 4.387 0.897 -14.020 1.00 0.83 O ATOM 86 OE2 GLU A 9 5.218 -1.091 -13.631 1.00 1.72 O ATOM 0 H GLU A 9 2.973 0.064 -9.287 1.00 0.38 H new ATOM 0 HA GLU A 9 4.412 -1.539 -11.111 1.00 0.42 H new ATOM 0 HB2 GLU A 9 3.794 0.965 -11.159 1.00 0.50 H new ATOM 0 HB3 GLU A 9 5.152 1.217 -10.081 1.00 0.50 H new ATOM 0 HG2 GLU A 9 6.015 1.660 -12.215 1.00 0.66 H new ATOM 0 HG3 GLU A 9 6.597 0.050 -11.843 1.00 0.66 H new ATOM 93 N TYR A 10 5.918 -0.726 -8.286 1.00 0.41 N ATOM 94 CA TYR A 10 7.014 -1.063 -7.385 1.00 0.42 C ATOM 95 C TYR A 10 6.997 -2.555 -7.069 1.00 0.43 C ATOM 96 O TYR A 10 8.035 -3.218 -7.092 1.00 0.45 O ATOM 97 CB TYR A 10 6.897 -0.244 -6.091 1.00 0.43 C ATOM 98 CG TYR A 10 7.981 -0.526 -5.069 1.00 0.44 C ATOM 99 CD1 TYR A 10 9.170 0.194 -5.072 1.00 0.47 C ATOM 100 CD2 TYR A 10 7.814 -1.511 -4.103 1.00 0.43 C ATOM 101 CE1 TYR A 10 10.163 -0.064 -4.145 1.00 0.50 C ATOM 102 CE2 TYR A 10 8.801 -1.773 -3.171 1.00 0.45 C ATOM 103 CZ TYR A 10 9.975 -1.046 -3.196 1.00 0.47 C ATOM 104 OH TYR A 10 10.966 -1.308 -2.272 1.00 0.51 O ATOM 0 H TYR A 10 5.251 -0.058 -7.899 1.00 0.41 H new ATOM 0 HA TYR A 10 7.959 -0.822 -7.872 1.00 0.42 H new ATOM 0 HB2 TYR A 10 6.920 0.816 -6.343 1.00 0.43 H new ATOM 0 HB3 TYR A 10 5.926 -0.442 -5.637 1.00 0.43 H new ATOM 0 HD1 TYR A 10 9.321 0.968 -5.810 1.00 0.47 H new ATOM 0 HD2 TYR A 10 6.897 -2.082 -4.080 1.00 0.43 H new ATOM 0 HE1 TYR A 10 11.083 0.502 -4.164 1.00 0.50 H new ATOM 0 HE2 TYR A 10 8.655 -2.542 -2.427 1.00 0.45 H new ATOM 0 HH TYR A 10 10.580 -1.774 -1.501 1.00 0.51 H new ATOM 114 N LEU A 11 5.810 -3.079 -6.790 1.00 0.43 N ATOM 115 CA LEU A 11 5.654 -4.491 -6.471 1.00 0.46 C ATOM 116 C LEU A 11 6.099 -5.368 -7.631 1.00 0.44 C ATOM 117 O LEU A 11 6.873 -6.301 -7.442 1.00 0.48 O ATOM 118 CB LEU A 11 4.201 -4.807 -6.112 1.00 0.50 C ATOM 119 CG LEU A 11 3.654 -4.052 -4.901 1.00 0.58 C ATOM 120 CD1 LEU A 11 2.233 -4.492 -4.600 1.00 0.66 C ATOM 121 CD2 LEU A 11 4.549 -4.264 -3.691 1.00 0.77 C ATOM 0 H LEU A 11 4.941 -2.546 -6.778 1.00 0.43 H new ATOM 0 HA LEU A 11 6.288 -4.706 -5.610 1.00 0.46 H new ATOM 0 HB2 LEU A 11 3.573 -4.583 -6.974 1.00 0.50 H new ATOM 0 HB3 LEU A 11 4.114 -5.877 -5.923 1.00 0.50 H new ATOM 0 HG LEU A 11 3.642 -2.987 -5.134 1.00 0.58 H new ATOM 0 HD11 LEU A 11 1.858 -3.945 -3.735 1.00 0.66 H new ATOM 0 HD12 LEU A 11 1.598 -4.287 -5.462 1.00 0.66 H new ATOM 0 HD13 LEU A 11 2.221 -5.561 -4.387 1.00 0.66 H new ATOM 0 HD21 LEU A 11 4.144 -3.719 -2.839 1.00 0.77 H new ATOM 0 HD22 LEU A 11 4.594 -5.327 -3.454 1.00 0.77 H new ATOM 0 HD23 LEU A 11 5.552 -3.898 -3.912 1.00 0.77 H new ATOM 133 N GLU A 12 5.638 -5.052 -8.831 1.00 0.40 N ATOM 134 CA GLU A 12 5.971 -5.851 -10.001 1.00 0.40 C ATOM 135 C GLU A 12 7.476 -5.874 -10.236 1.00 0.44 C ATOM 136 O GLU A 12 8.087 -6.943 -10.321 1.00 0.49 O ATOM 137 CB GLU A 12 5.258 -5.306 -11.240 1.00 0.40 C ATOM 138 CG GLU A 12 5.560 -6.097 -12.499 1.00 0.43 C ATOM 139 CD GLU A 12 4.713 -5.677 -13.674 1.00 0.47 C ATOM 140 OE1 GLU A 12 3.546 -6.114 -13.750 1.00 0.51 O ATOM 141 OE2 GLU A 12 5.211 -4.924 -14.537 1.00 0.59 O ATOM 0 H GLU A 12 5.035 -4.252 -9.021 1.00 0.40 H new ATOM 0 HA GLU A 12 5.635 -6.872 -9.817 1.00 0.40 H new ATOM 0 HB2 GLU A 12 4.182 -5.312 -11.064 1.00 0.40 H new ATOM 0 HB3 GLU A 12 5.551 -4.267 -11.392 1.00 0.40 H new ATOM 0 HG2 GLU A 12 6.613 -5.975 -12.755 1.00 0.43 H new ATOM 0 HG3 GLU A 12 5.400 -7.157 -12.303 1.00 0.43 H new ATOM 148 N ARG A 13 8.064 -4.690 -10.295 1.00 0.45 N ATOM 149 CA ARG A 13 9.477 -4.545 -10.608 1.00 0.52 C ATOM 150 C ARG A 13 10.368 -5.088 -9.494 1.00 0.58 C ATOM 151 O ARG A 13 11.332 -5.803 -9.758 1.00 0.62 O ATOM 152 CB ARG A 13 9.812 -3.072 -10.851 1.00 0.56 C ATOM 153 CG ARG A 13 9.092 -2.464 -12.044 1.00 0.54 C ATOM 154 CD ARG A 13 9.362 -0.972 -12.153 1.00 0.67 C ATOM 155 NE ARG A 13 10.791 -0.672 -12.217 1.00 1.25 N ATOM 156 CZ ARG A 13 11.293 0.548 -12.410 1.00 1.51 C ATOM 157 NH1 ARG A 13 10.488 1.595 -12.569 1.00 1.38 N ATOM 158 NH2 ARG A 13 12.608 0.721 -12.436 1.00 2.48 N ATOM 0 H ARG A 13 7.580 -3.808 -10.129 1.00 0.45 H new ATOM 0 HA ARG A 13 9.670 -5.127 -11.509 1.00 0.52 H new ATOM 0 HB2 ARG A 13 9.560 -2.500 -9.958 1.00 0.56 H new ATOM 0 HB3 ARG A 13 10.887 -2.974 -11.000 1.00 0.56 H new ATOM 0 HG2 ARG A 13 9.415 -2.962 -12.958 1.00 0.54 H new ATOM 0 HG3 ARG A 13 8.020 -2.635 -11.950 1.00 0.54 H new ATOM 0 HD2 ARG A 13 8.870 -0.580 -13.043 1.00 0.67 H new ATOM 0 HD3 ARG A 13 8.924 -0.462 -11.295 1.00 0.67 H new ATOM 0 HE ARG A 13 11.446 -1.446 -12.107 1.00 1.25 H new ATOM 0 HH11 ARG A 13 9.476 1.469 -12.544 1.00 1.38 H new ATOM 0 HH12 ARG A 13 10.883 2.524 -12.716 1.00 1.38 H new ATOM 0 HH21 ARG A 13 13.230 -0.077 -12.309 1.00 2.48 H new ATOM 0 HH22 ARG A 13 12.997 1.652 -12.583 1.00 2.48 H new ATOM 172 N PHE A 14 10.044 -4.758 -8.253 1.00 0.60 N ATOM 173 CA PHE A 14 10.952 -5.034 -7.147 1.00 0.69 C ATOM 174 C PHE A 14 10.523 -6.229 -6.296 1.00 0.71 C ATOM 175 O PHE A 14 11.364 -7.026 -5.891 1.00 0.83 O ATOM 176 CB PHE A 14 11.101 -3.793 -6.263 1.00 0.72 C ATOM 177 CG PHE A 14 11.713 -2.617 -6.974 1.00 0.73 C ATOM 178 CD1 PHE A 14 13.090 -2.471 -7.037 1.00 0.87 C ATOM 179 CD2 PHE A 14 10.913 -1.661 -7.580 1.00 0.64 C ATOM 180 CE1 PHE A 14 13.657 -1.394 -7.690 1.00 0.91 C ATOM 181 CE2 PHE A 14 11.475 -0.582 -8.236 1.00 0.67 C ATOM 182 CZ PHE A 14 12.849 -0.448 -8.290 1.00 0.81 C ATOM 0 H PHE A 14 9.170 -4.304 -7.987 1.00 0.60 H new ATOM 0 HA PHE A 14 11.912 -5.294 -7.594 1.00 0.69 H new ATOM 0 HB2 PHE A 14 10.120 -3.507 -5.884 1.00 0.72 H new ATOM 0 HB3 PHE A 14 11.716 -4.045 -5.399 1.00 0.72 H new ATOM 0 HD1 PHE A 14 13.727 -3.208 -6.570 1.00 0.87 H new ATOM 0 HD2 PHE A 14 9.838 -1.760 -7.539 1.00 0.64 H new ATOM 0 HE1 PHE A 14 14.731 -1.292 -7.731 1.00 0.91 H new ATOM 0 HE2 PHE A 14 10.841 0.155 -8.706 1.00 0.67 H new ATOM 0 HZ PHE A 14 13.291 0.395 -8.801 1.00 0.81 H new ATOM 192 N SER A 15 9.232 -6.370 -6.033 1.00 0.63 N ATOM 193 CA SER A 15 8.776 -7.360 -5.064 1.00 0.67 C ATOM 194 C SER A 15 8.572 -8.733 -5.708 1.00 0.69 C ATOM 195 O SER A 15 8.892 -9.757 -5.102 1.00 0.78 O ATOM 196 CB SER A 15 7.478 -6.889 -4.399 1.00 0.65 C ATOM 197 OG SER A 15 7.077 -7.768 -3.359 1.00 1.36 O ATOM 0 H SER A 15 8.490 -5.822 -6.468 1.00 0.63 H new ATOM 0 HA SER A 15 9.553 -7.463 -4.306 1.00 0.67 H new ATOM 0 HB2 SER A 15 7.618 -5.886 -3.995 1.00 0.65 H new ATOM 0 HB3 SER A 15 6.688 -6.824 -5.147 1.00 0.65 H new ATOM 0 HG SER A 15 6.124 -7.640 -3.172 1.00 1.36 H new ATOM 203 N LEU A 16 8.020 -8.763 -6.916 1.00 0.63 N ATOM 204 CA LEU A 16 7.794 -10.029 -7.606 1.00 0.68 C ATOM 205 C LEU A 16 8.947 -10.393 -8.535 1.00 0.79 C ATOM 206 O LEU A 16 9.291 -11.567 -8.673 1.00 0.89 O ATOM 207 CB LEU A 16 6.481 -10.022 -8.396 1.00 0.62 C ATOM 208 CG LEU A 16 5.205 -10.031 -7.551 1.00 0.60 C ATOM 209 CD1 LEU A 16 4.833 -8.625 -7.127 1.00 1.24 C ATOM 210 CD2 LEU A 16 4.064 -10.684 -8.315 1.00 1.20 C ATOM 0 H LEU A 16 7.723 -7.936 -7.434 1.00 0.63 H new ATOM 0 HA LEU A 16 7.729 -10.787 -6.825 1.00 0.68 H new ATOM 0 HB2 LEU A 16 6.466 -9.139 -9.036 1.00 0.62 H new ATOM 0 HB3 LEU A 16 6.467 -10.892 -9.053 1.00 0.62 H new ATOM 0 HG LEU A 16 5.393 -10.617 -6.651 1.00 0.60 H new ATOM 0 HD11 LEU A 16 3.923 -8.654 -6.527 1.00 1.24 H new ATOM 0 HD12 LEU A 16 5.643 -8.197 -6.537 1.00 1.24 H new ATOM 0 HD13 LEU A 16 4.665 -8.011 -8.012 1.00 1.24 H new ATOM 0 HD21 LEU A 16 3.165 -10.681 -7.699 1.00 1.20 H new ATOM 0 HD22 LEU A 16 3.876 -10.128 -9.233 1.00 1.20 H new ATOM 0 HD23 LEU A 16 4.332 -11.711 -8.561 1.00 1.20 H new ATOM 222 N LYS A 17 9.522 -9.370 -9.178 1.00 0.83 N ATOM 223 CA LYS A 17 10.568 -9.551 -10.194 1.00 0.97 C ATOM 224 C LYS A 17 9.985 -10.200 -11.449 1.00 1.01 C ATOM 225 O LYS A 17 10.717 -10.698 -12.306 1.00 1.15 O ATOM 226 CB LYS A 17 11.740 -10.403 -9.674 1.00 1.10 C ATOM 227 CG LYS A 17 12.528 -9.784 -8.528 1.00 1.13 C ATOM 228 CD LYS A 17 13.130 -8.446 -8.918 1.00 1.17 C ATOM 229 CE LYS A 17 14.206 -8.007 -7.935 1.00 1.61 C ATOM 230 NZ LYS A 17 13.735 -8.053 -6.523 1.00 2.03 N ATOM 0 H LYS A 17 9.276 -8.394 -9.010 1.00 0.83 H new ATOM 0 HA LYS A 17 10.953 -8.560 -10.435 1.00 0.97 H new ATOM 0 HB2 LYS A 17 11.351 -11.368 -9.348 1.00 1.10 H new ATOM 0 HB3 LYS A 17 12.423 -10.597 -10.501 1.00 1.10 H new ATOM 0 HG2 LYS A 17 11.874 -9.651 -7.666 1.00 1.13 H new ATOM 0 HG3 LYS A 17 13.322 -10.465 -8.223 1.00 1.13 H new ATOM 0 HD2 LYS A 17 13.557 -8.517 -9.918 1.00 1.17 H new ATOM 0 HD3 LYS A 17 12.345 -7.691 -8.959 1.00 1.17 H new ATOM 0 HE2 LYS A 17 15.080 -8.650 -8.045 1.00 1.61 H new ATOM 0 HE3 LYS A 17 14.524 -6.993 -8.177 1.00 1.61 H new ATOM 0 HZ1 LYS A 17 14.418 -7.560 -5.913 1.00 2.03 H new ATOM 0 HZ2 LYS A 17 12.808 -7.588 -6.451 1.00 2.03 H new ATOM 0 HZ3 LYS A 17 13.650 -9.043 -6.217 1.00 2.03 H new ATOM 244 N ALA A 18 8.663 -10.174 -11.559 1.00 0.95 N ATOM 245 CA ALA A 18 7.970 -10.846 -12.648 1.00 1.03 C ATOM 246 C ALA A 18 6.725 -10.064 -13.058 1.00 1.02 C ATOM 247 O ALA A 18 6.721 -8.838 -13.013 1.00 1.34 O ATOM 248 CB ALA A 18 7.607 -12.266 -12.230 1.00 1.06 C ATOM 0 H ALA A 18 8.048 -9.692 -10.904 1.00 0.95 H new ATOM 0 HA ALA A 18 8.632 -10.895 -13.512 1.00 1.03 H new ATOM 0 HB1 ALA A 18 7.088 -12.765 -13.049 1.00 1.06 H new ATOM 0 HB2 ALA A 18 8.515 -12.817 -11.986 1.00 1.06 H new ATOM 0 HB3 ALA A 18 6.957 -12.233 -11.355 1.00 1.06 H new ATOM 254 N LYS A 19 5.680 -10.772 -13.467 1.00 0.80 N ATOM 255 CA LYS A 19 4.430 -10.137 -13.868 1.00 0.77 C ATOM 256 C LYS A 19 3.564 -9.882 -12.643 1.00 0.64 C ATOM 257 O LYS A 19 3.476 -10.730 -11.759 1.00 0.74 O ATOM 258 CB LYS A 19 3.677 -11.038 -14.859 1.00 0.93 C ATOM 259 CG LYS A 19 2.351 -10.475 -15.367 1.00 1.52 C ATOM 260 CD LYS A 19 2.544 -9.522 -16.540 1.00 1.71 C ATOM 261 CE LYS A 19 3.061 -8.163 -16.105 1.00 1.93 C ATOM 262 NZ LYS A 19 2.011 -7.357 -15.431 1.00 2.69 N ATOM 0 H LYS A 19 5.673 -11.790 -13.530 1.00 0.80 H new ATOM 0 HA LYS A 19 4.655 -9.187 -14.352 1.00 0.77 H new ATOM 0 HB2 LYS A 19 4.324 -11.231 -15.715 1.00 0.93 H new ATOM 0 HB3 LYS A 19 3.487 -11.999 -14.381 1.00 0.93 H new ATOM 0 HG2 LYS A 19 1.702 -11.296 -15.671 1.00 1.52 H new ATOM 0 HG3 LYS A 19 1.845 -9.952 -14.555 1.00 1.52 H new ATOM 0 HD2 LYS A 19 3.243 -9.963 -17.251 1.00 1.71 H new ATOM 0 HD3 LYS A 19 1.595 -9.396 -17.062 1.00 1.71 H new ATOM 0 HE2 LYS A 19 3.906 -8.296 -15.429 1.00 1.93 H new ATOM 0 HE3 LYS A 19 3.431 -7.621 -16.975 1.00 1.93 H new ATOM 0 HZ1 LYS A 19 2.440 -6.505 -15.017 1.00 2.69 H new ATOM 0 HZ2 LYS A 19 1.288 -7.078 -16.125 1.00 2.69 H new ATOM 0 HZ3 LYS A 19 1.569 -7.923 -14.679 1.00 2.69 H new ATOM 276 N ILE A 20 2.953 -8.711 -12.574 1.00 0.57 N ATOM 277 CA ILE A 20 2.024 -8.416 -11.501 1.00 0.52 C ATOM 278 C ILE A 20 0.578 -8.457 -12.007 1.00 0.54 C ATOM 279 O ILE A 20 0.288 -8.013 -13.127 1.00 0.64 O ATOM 280 CB ILE A 20 2.341 -7.045 -10.850 1.00 0.56 C ATOM 281 CG1 ILE A 20 2.526 -7.198 -9.340 1.00 0.46 C ATOM 282 CG2 ILE A 20 1.266 -6.010 -11.148 1.00 0.92 C ATOM 283 CD1 ILE A 20 1.315 -7.754 -8.622 1.00 0.72 C ATOM 0 H ILE A 20 3.084 -7.954 -13.245 1.00 0.57 H new ATOM 0 HA ILE A 20 2.139 -9.184 -10.737 1.00 0.52 H new ATOM 0 HB ILE A 20 3.272 -6.686 -11.288 1.00 0.56 H new ATOM 0 HG12 ILE A 20 3.378 -7.852 -9.154 1.00 0.46 H new ATOM 0 HG13 ILE A 20 2.772 -6.225 -8.915 1.00 0.46 H new ATOM 0 HG21 ILE A 20 1.529 -5.065 -10.673 1.00 0.92 H new ATOM 0 HG22 ILE A 20 1.189 -5.865 -12.226 1.00 0.92 H new ATOM 0 HG23 ILE A 20 0.309 -6.358 -10.760 1.00 0.92 H new ATOM 0 HD11 ILE A 20 1.528 -7.831 -7.556 1.00 0.72 H new ATOM 0 HD12 ILE A 20 0.465 -7.090 -8.775 1.00 0.72 H new ATOM 0 HD13 ILE A 20 1.079 -8.742 -9.018 1.00 0.72 H new ATOM 295 N ASN A 21 -0.294 -9.044 -11.189 1.00 0.58 N ATOM 296 CA ASN A 21 -1.738 -9.081 -11.423 1.00 0.72 C ATOM 297 C ASN A 21 -2.380 -9.878 -10.288 1.00 0.78 C ATOM 298 O ASN A 21 -1.671 -10.358 -9.404 1.00 0.77 O ATOM 299 CB ASN A 21 -2.067 -9.713 -12.784 1.00 0.80 C ATOM 300 CG ASN A 21 -3.505 -9.479 -13.211 1.00 1.21 C ATOM 301 OD1 ASN A 21 -4.385 -10.293 -12.944 1.00 1.78 O ATOM 302 ND2 ASN A 21 -3.752 -8.358 -13.871 1.00 1.71 N ATOM 0 H ASN A 21 -0.013 -9.516 -10.330 1.00 0.58 H new ATOM 0 HA ASN A 21 -2.133 -8.065 -11.442 1.00 0.72 H new ATOM 0 HB2 ASN A 21 -1.397 -9.304 -13.540 1.00 0.80 H new ATOM 0 HB3 ASN A 21 -1.877 -10.785 -12.737 1.00 0.80 H new ATOM 0 HD21 ASN A 21 -4.701 -8.145 -14.177 1.00 1.71 H new ATOM 0 HD22 ASN A 21 -2.993 -7.707 -14.073 1.00 1.71 H new ATOM 309 N ASN A 22 -3.693 -10.029 -10.282 1.00 0.97 N ATOM 310 CA ASN A 22 -4.341 -10.834 -9.253 1.00 1.09 C ATOM 311 C ASN A 22 -4.161 -12.316 -9.584 1.00 1.03 C ATOM 312 O ASN A 22 -4.265 -13.181 -8.715 1.00 1.07 O ATOM 313 CB ASN A 22 -5.828 -10.482 -9.134 1.00 1.41 C ATOM 314 CG ASN A 22 -6.427 -10.825 -7.769 1.00 1.73 C ATOM 315 OD1 ASN A 22 -7.322 -10.135 -7.287 1.00 2.31 O ATOM 316 ND2 ASN A 22 -5.958 -11.891 -7.140 1.00 2.35 N ATOM 0 H ASN A 22 -4.326 -9.613 -10.965 1.00 0.97 H new ATOM 0 HA ASN A 22 -3.876 -10.620 -8.291 1.00 1.09 H new ATOM 0 HB2 ASN A 22 -5.957 -9.416 -9.322 1.00 1.41 H new ATOM 0 HB3 ASN A 22 -6.382 -11.012 -9.909 1.00 1.41 H new ATOM 0 HD21 ASN A 22 -6.340 -12.157 -6.233 1.00 2.35 H new ATOM 0 HD22 ASN A 22 -5.214 -12.447 -7.563 1.00 2.35 H new ATOM 323 N THR A 23 -3.851 -12.596 -10.844 1.00 1.00 N ATOM 324 CA THR A 23 -3.628 -13.963 -11.289 1.00 1.05 C ATOM 325 C THR A 23 -2.218 -14.417 -10.927 1.00 1.02 C ATOM 326 O THR A 23 -1.898 -15.607 -10.969 1.00 1.21 O ATOM 327 CB THR A 23 -3.839 -14.084 -12.808 1.00 1.19 C ATOM 328 OG1 THR A 23 -3.052 -13.100 -13.493 1.00 1.51 O ATOM 329 CG2 THR A 23 -5.306 -13.898 -13.160 1.00 1.79 C ATOM 0 H THR A 23 -3.749 -11.892 -11.575 1.00 1.00 H new ATOM 0 HA THR A 23 -4.350 -14.604 -10.783 1.00 1.05 H new ATOM 0 HB THR A 23 -3.526 -15.080 -13.120 1.00 1.19 H new ATOM 0 HG1 THR A 23 -3.514 -12.236 -13.467 1.00 1.51 H new ATOM 0 HG21 THR A 23 -5.435 -13.987 -14.239 1.00 1.79 H new ATOM 0 HG22 THR A 23 -5.900 -14.662 -12.659 1.00 1.79 H new ATOM 0 HG23 THR A 23 -5.636 -12.911 -12.835 1.00 1.79 H new ATOM 337 N THR A 24 -1.379 -13.454 -10.568 1.00 0.87 N ATOM 338 CA THR A 24 -0.052 -13.746 -10.067 1.00 0.91 C ATOM 339 C THR A 24 -0.105 -13.835 -8.547 1.00 0.98 C ATOM 340 O THR A 24 -0.968 -13.219 -7.919 1.00 1.91 O ATOM 341 CB THR A 24 0.964 -12.670 -10.501 1.00 0.88 C ATOM 342 OG1 THR A 24 0.614 -11.395 -9.953 1.00 1.37 O ATOM 343 CG2 THR A 24 1.019 -12.570 -12.018 1.00 1.74 C ATOM 0 H THR A 24 -1.601 -12.460 -10.617 1.00 0.87 H new ATOM 0 HA THR A 24 0.278 -14.697 -10.486 1.00 0.91 H new ATOM 0 HB THR A 24 1.944 -12.963 -10.125 1.00 0.88 H new ATOM 0 HG1 THR A 24 -0.298 -11.431 -9.596 1.00 1.37 H new ATOM 0 HG21 THR A 24 1.741 -11.806 -12.306 1.00 1.74 H new ATOM 0 HG22 THR A 24 1.321 -13.531 -12.435 1.00 1.74 H new ATOM 0 HG23 THR A 24 0.034 -12.302 -12.401 1.00 1.74 H new ATOM 351 N ASN A 25 0.806 -14.591 -7.955 1.00 0.72 N ATOM 352 CA ASN A 25 0.743 -14.865 -6.522 1.00 0.79 C ATOM 353 C ASN A 25 1.301 -13.712 -5.704 1.00 0.73 C ATOM 354 O ASN A 25 2.257 -13.869 -4.946 1.00 0.72 O ATOM 355 CB ASN A 25 1.473 -16.171 -6.178 1.00 1.00 C ATOM 356 CG ASN A 25 0.760 -17.406 -6.703 1.00 1.96 C ATOM 357 OD1 ASN A 25 -0.107 -17.970 -6.034 1.00 2.69 O ATOM 358 ND2 ASN A 25 1.130 -17.847 -7.897 1.00 2.58 N ATOM 0 H ASN A 25 1.593 -15.024 -8.437 1.00 0.72 H new ATOM 0 HA ASN A 25 -0.309 -14.979 -6.262 1.00 0.79 H new ATOM 0 HB2 ASN A 25 2.481 -16.137 -6.591 1.00 1.00 H new ATOM 0 HB3 ASN A 25 1.575 -16.250 -5.096 1.00 1.00 H new ATOM 0 HD21 ASN A 25 0.693 -18.680 -8.291 1.00 2.58 H new ATOM 0 HD22 ASN A 25 1.852 -17.353 -8.422 1.00 2.58 H new ATOM 365 N LEU A 26 0.670 -12.557 -5.851 1.00 0.82 N ATOM 366 CA LEU A 26 1.004 -11.383 -5.064 1.00 0.88 C ATOM 367 C LEU A 26 0.499 -11.553 -3.633 1.00 0.83 C ATOM 368 O LEU A 26 0.881 -10.807 -2.738 1.00 0.86 O ATOM 369 CB LEU A 26 0.382 -10.142 -5.702 1.00 1.08 C ATOM 370 CG LEU A 26 0.571 -8.835 -4.932 1.00 1.91 C ATOM 371 CD1 LEU A 26 2.032 -8.415 -4.917 1.00 2.89 C ATOM 372 CD2 LEU A 26 -0.300 -7.754 -5.537 1.00 2.33 C ATOM 0 H LEU A 26 -0.087 -12.409 -6.519 1.00 0.82 H new ATOM 0 HA LEU A 26 2.087 -11.263 -5.039 1.00 0.88 H new ATOM 0 HB2 LEU A 26 0.804 -10.019 -6.699 1.00 1.08 H new ATOM 0 HB3 LEU A 26 -0.687 -10.317 -5.827 1.00 1.08 H new ATOM 0 HG LEU A 26 0.267 -8.992 -3.897 1.00 1.91 H new ATOM 0 HD11 LEU A 26 2.137 -7.482 -4.363 1.00 2.89 H new ATOM 0 HD12 LEU A 26 2.629 -9.191 -4.438 1.00 2.89 H new ATOM 0 HD13 LEU A 26 2.379 -8.270 -5.940 1.00 2.89 H new ATOM 0 HD21 LEU A 26 -0.162 -6.824 -4.985 1.00 2.33 H new ATOM 0 HD22 LEU A 26 -0.020 -7.602 -6.579 1.00 2.33 H new ATOM 0 HD23 LEU A 26 -1.346 -8.056 -5.483 1.00 2.33 H new ATOM 384 N ASP A 27 -0.364 -12.543 -3.437 1.00 0.81 N ATOM 385 CA ASP A 27 -0.884 -12.881 -2.112 1.00 0.84 C ATOM 386 C ASP A 27 0.255 -13.186 -1.145 1.00 0.70 C ATOM 387 O ASP A 27 0.337 -12.609 -0.062 1.00 0.67 O ATOM 388 CB ASP A 27 -1.817 -14.095 -2.227 1.00 1.02 C ATOM 389 CG ASP A 27 -2.193 -14.693 -0.883 1.00 1.52 C ATOM 390 OD1 ASP A 27 -1.412 -15.509 -0.348 1.00 2.28 O ATOM 391 OD2 ASP A 27 -3.270 -14.361 -0.361 1.00 2.00 O ATOM 0 H ASP A 27 -0.723 -13.134 -4.187 1.00 0.81 H new ATOM 0 HA ASP A 27 -1.440 -12.028 -1.723 1.00 0.84 H new ATOM 0 HB2 ASP A 27 -2.725 -13.798 -2.752 1.00 1.02 H new ATOM 0 HB3 ASP A 27 -1.333 -14.860 -2.835 1.00 1.02 H new ATOM 396 N TYR A 28 1.154 -14.068 -1.561 1.00 0.69 N ATOM 397 CA TYR A 28 2.280 -14.455 -0.725 1.00 0.70 C ATOM 398 C TYR A 28 3.254 -13.295 -0.579 1.00 0.63 C ATOM 399 O TYR A 28 3.885 -13.128 0.467 1.00 0.68 O ATOM 400 CB TYR A 28 2.982 -15.680 -1.309 1.00 0.81 C ATOM 401 CG TYR A 28 2.060 -16.865 -1.478 1.00 1.05 C ATOM 402 CD1 TYR A 28 1.595 -17.572 -0.376 1.00 1.16 C ATOM 403 CD2 TYR A 28 1.654 -17.274 -2.740 1.00 1.57 C ATOM 404 CE1 TYR A 28 0.747 -18.651 -0.530 1.00 1.61 C ATOM 405 CE2 TYR A 28 0.807 -18.351 -2.900 1.00 2.15 C ATOM 406 CZ TYR A 28 0.357 -19.038 -1.794 1.00 2.13 C ATOM 407 OH TYR A 28 -0.487 -20.113 -1.954 1.00 2.73 O ATOM 0 H TYR A 28 1.125 -14.528 -2.471 1.00 0.69 H new ATOM 0 HA TYR A 28 1.906 -14.716 0.265 1.00 0.70 H new ATOM 0 HB2 TYR A 28 3.410 -15.419 -2.277 1.00 0.81 H new ATOM 0 HB3 TYR A 28 3.811 -15.961 -0.659 1.00 0.81 H new ATOM 0 HD1 TYR A 28 1.901 -17.273 0.616 1.00 1.16 H new ATOM 0 HD2 TYR A 28 2.007 -16.741 -3.611 1.00 1.57 H new ATOM 0 HE1 TYR A 28 0.391 -19.189 0.336 1.00 1.61 H new ATOM 0 HE2 TYR A 28 0.498 -18.655 -3.889 1.00 2.15 H new ATOM 0 HH TYR A 28 -0.664 -20.251 -2.908 1.00 2.73 H new ATOM 417 N SER A 29 3.367 -12.490 -1.629 1.00 0.59 N ATOM 418 CA SER A 29 4.175 -11.284 -1.577 1.00 0.62 C ATOM 419 C SER A 29 3.580 -10.296 -0.582 1.00 0.51 C ATOM 420 O SER A 29 4.299 -9.615 0.142 1.00 0.53 O ATOM 421 CB SER A 29 4.248 -10.636 -2.953 1.00 0.73 C ATOM 422 OG SER A 29 4.583 -11.590 -3.945 1.00 0.81 O ATOM 0 H SER A 29 2.908 -12.653 -2.525 1.00 0.59 H new ATOM 0 HA SER A 29 5.181 -11.557 -1.257 1.00 0.62 H new ATOM 0 HB2 SER A 29 3.289 -10.176 -3.194 1.00 0.73 H new ATOM 0 HB3 SER A 29 4.991 -9.838 -2.945 1.00 0.73 H new ATOM 0 HG SER A 29 4.318 -11.253 -4.826 1.00 0.81 H new ATOM 428 N ARG A 30 2.257 -10.232 -0.555 1.00 0.48 N ATOM 429 CA ARG A 30 1.546 -9.350 0.351 1.00 0.45 C ATOM 430 C ARG A 30 1.829 -9.740 1.800 1.00 0.46 C ATOM 431 O ARG A 30 2.129 -8.892 2.629 1.00 0.56 O ATOM 432 CB ARG A 30 0.035 -9.398 0.064 1.00 0.52 C ATOM 433 CG ARG A 30 -0.594 -8.043 -0.252 1.00 0.49 C ATOM 434 CD ARG A 30 -0.065 -7.439 -1.547 1.00 0.76 C ATOM 435 NE ARG A 30 1.325 -7.001 -1.437 1.00 1.55 N ATOM 436 CZ ARG A 30 1.695 -5.800 -1.000 1.00 2.24 C ATOM 437 NH1 ARG A 30 0.782 -4.925 -0.590 1.00 2.43 N ATOM 438 NH2 ARG A 30 2.978 -5.478 -0.965 1.00 3.24 N ATOM 0 H ARG A 30 1.651 -10.788 -1.158 1.00 0.48 H new ATOM 0 HA ARG A 30 1.896 -8.330 0.194 1.00 0.45 H new ATOM 0 HB2 ARG A 30 -0.141 -10.071 -0.776 1.00 0.52 H new ATOM 0 HB3 ARG A 30 -0.472 -9.827 0.928 1.00 0.52 H new ATOM 0 HG2 ARG A 30 -1.676 -8.157 -0.324 1.00 0.49 H new ATOM 0 HG3 ARG A 30 -0.400 -7.356 0.571 1.00 0.49 H new ATOM 0 HD2 ARG A 30 -0.148 -8.175 -2.347 1.00 0.76 H new ATOM 0 HD3 ARG A 30 -0.688 -6.590 -1.829 1.00 0.76 H new ATOM 0 HE ARG A 30 2.057 -7.656 -1.712 1.00 1.55 H new ATOM 0 HH11 ARG A 30 -0.207 -5.173 -0.610 1.00 2.43 H new ATOM 0 HH12 ARG A 30 1.071 -4.006 -0.256 1.00 2.43 H new ATOM 0 HH21 ARG A 30 3.681 -6.150 -1.273 1.00 3.24 H new ATOM 0 HH22 ARG A 30 3.264 -4.558 -0.630 1.00 3.24 H new ATOM 452 N ARG A 31 1.778 -11.032 2.083 1.00 0.45 N ATOM 453 CA ARG A 31 1.946 -11.517 3.449 1.00 0.47 C ATOM 454 C ARG A 31 3.384 -11.335 3.946 1.00 0.45 C ATOM 455 O ARG A 31 3.605 -11.015 5.112 1.00 0.50 O ATOM 456 CB ARG A 31 1.534 -12.991 3.545 1.00 0.53 C ATOM 457 CG ARG A 31 0.147 -13.263 2.986 1.00 1.14 C ATOM 458 CD ARG A 31 -0.269 -14.721 3.136 1.00 1.21 C ATOM 459 NE ARG A 31 -1.439 -15.031 2.313 1.00 1.89 N ATOM 460 CZ ARG A 31 -2.594 -15.494 2.780 1.00 2.16 C ATOM 461 NH1 ARG A 31 -2.761 -15.698 4.082 1.00 1.87 N ATOM 462 NH2 ARG A 31 -3.597 -15.709 1.939 1.00 3.18 N ATOM 0 H ARG A 31 1.622 -11.764 1.390 1.00 0.45 H new ATOM 0 HA ARG A 31 1.298 -10.921 4.091 1.00 0.47 H new ATOM 0 HB2 ARG A 31 2.261 -13.600 3.008 1.00 0.53 H new ATOM 0 HB3 ARG A 31 1.566 -13.303 4.589 1.00 0.53 H new ATOM 0 HG2 ARG A 31 -0.577 -12.628 3.496 1.00 1.14 H new ATOM 0 HG3 ARG A 31 0.124 -12.989 1.931 1.00 1.14 H new ATOM 0 HD2 ARG A 31 0.560 -15.368 2.851 1.00 1.21 H new ATOM 0 HD3 ARG A 31 -0.492 -14.931 4.182 1.00 1.21 H new ATOM 0 HE ARG A 31 -1.362 -14.881 1.307 1.00 1.89 H new ATOM 0 HH11 ARG A 31 -2.000 -15.499 4.731 1.00 1.87 H new ATOM 0 HH12 ARG A 31 -3.650 -16.054 4.433 1.00 1.87 H new ATOM 0 HH21 ARG A 31 -3.478 -15.519 0.944 1.00 3.18 H new ATOM 0 HH22 ARG A 31 -4.487 -16.064 2.287 1.00 3.18 H new ATOM 476 N PHE A 32 4.363 -11.522 3.065 1.00 0.45 N ATOM 477 CA PHE A 32 5.765 -11.447 3.473 1.00 0.53 C ATOM 478 C PHE A 32 6.272 -10.003 3.457 1.00 0.53 C ATOM 479 O PHE A 32 7.263 -9.677 4.111 1.00 0.57 O ATOM 480 CB PHE A 32 6.639 -12.354 2.585 1.00 0.66 C ATOM 481 CG PHE A 32 7.462 -11.639 1.542 1.00 0.57 C ATOM 482 CD1 PHE A 32 6.917 -11.313 0.312 1.00 0.88 C ATOM 483 CD2 PHE A 32 8.788 -11.308 1.792 1.00 0.66 C ATOM 484 CE1 PHE A 32 7.673 -10.665 -0.647 1.00 1.10 C ATOM 485 CE2 PHE A 32 9.548 -10.662 0.834 1.00 0.93 C ATOM 486 CZ PHE A 32 8.989 -10.340 -0.387 1.00 1.08 C ATOM 0 H PHE A 32 4.216 -11.724 2.076 1.00 0.45 H new ATOM 0 HA PHE A 32 5.837 -11.807 4.499 1.00 0.53 H new ATOM 0 HB2 PHE A 32 7.312 -12.923 3.227 1.00 0.66 H new ATOM 0 HB3 PHE A 32 5.993 -13.074 2.083 1.00 0.66 H new ATOM 0 HD1 PHE A 32 5.889 -11.568 0.099 1.00 0.88 H new ATOM 0 HD2 PHE A 32 9.230 -11.558 2.745 1.00 0.66 H new ATOM 0 HE1 PHE A 32 7.233 -10.413 -1.601 1.00 1.10 H new ATOM 0 HE2 PHE A 32 10.578 -10.410 1.041 1.00 0.93 H new ATOM 0 HZ PHE A 32 9.580 -9.835 -1.137 1.00 1.08 H new ATOM 496 N LEU A 33 5.580 -9.141 2.725 1.00 0.51 N ATOM 497 CA LEU A 33 5.972 -7.741 2.612 1.00 0.53 C ATOM 498 C LEU A 33 5.400 -6.926 3.766 1.00 0.45 C ATOM 499 O LEU A 33 5.698 -5.744 3.903 1.00 0.44 O ATOM 500 CB LEU A 33 5.557 -7.141 1.267 1.00 0.60 C ATOM 501 CG LEU A 33 6.615 -6.236 0.626 1.00 0.93 C ATOM 502 CD1 LEU A 33 7.895 -7.014 0.368 1.00 0.92 C ATOM 503 CD2 LEU A 33 6.098 -5.621 -0.661 1.00 1.70 C ATOM 0 H LEU A 33 4.742 -9.387 2.199 1.00 0.51 H new ATOM 0 HA LEU A 33 7.060 -7.702 2.665 1.00 0.53 H new ATOM 0 HB2 LEU A 33 5.324 -7.952 0.577 1.00 0.60 H new ATOM 0 HB3 LEU A 33 4.641 -6.567 1.406 1.00 0.60 H new ATOM 0 HG LEU A 33 6.834 -5.427 1.322 1.00 0.93 H new ATOM 0 HD11 LEU A 33 8.635 -6.356 -0.087 1.00 0.92 H new ATOM 0 HD12 LEU A 33 8.283 -7.399 1.311 1.00 0.92 H new ATOM 0 HD13 LEU A 33 7.686 -7.846 -0.305 1.00 0.92 H new ATOM 0 HD21 LEU A 33 6.868 -4.984 -1.095 1.00 1.70 H new ATOM 0 HD22 LEU A 33 5.843 -6.413 -1.366 1.00 1.70 H new ATOM 0 HD23 LEU A 33 5.211 -5.024 -0.448 1.00 1.70 H new ATOM 515 N GLU A 34 4.553 -7.564 4.572 1.00 0.39 N ATOM 516 CA GLU A 34 3.883 -6.892 5.687 1.00 0.35 C ATOM 517 C GLU A 34 4.894 -6.156 6.586 1.00 0.35 C ATOM 518 O GLU A 34 4.763 -4.948 6.794 1.00 0.30 O ATOM 519 CB GLU A 34 3.074 -7.891 6.522 1.00 0.39 C ATOM 520 CG GLU A 34 2.381 -7.254 7.716 1.00 0.43 C ATOM 521 CD GLU A 34 2.074 -8.246 8.819 1.00 0.78 C ATOM 522 OE1 GLU A 34 1.013 -8.895 8.764 1.00 1.17 O ATOM 523 OE2 GLU A 34 2.886 -8.353 9.762 1.00 1.26 O ATOM 0 H GLU A 34 4.313 -8.550 4.474 1.00 0.39 H new ATOM 0 HA GLU A 34 3.201 -6.156 5.260 1.00 0.35 H new ATOM 0 HB2 GLU A 34 2.326 -8.364 5.886 1.00 0.39 H new ATOM 0 HB3 GLU A 34 3.737 -8.681 6.874 1.00 0.39 H new ATOM 0 HG2 GLU A 34 3.012 -6.459 8.114 1.00 0.43 H new ATOM 0 HG3 GLU A 34 1.453 -6.788 7.385 1.00 0.43 H new ATOM 530 N PRO A 35 5.929 -6.852 7.122 1.00 0.43 N ATOM 531 CA PRO A 35 6.950 -6.206 7.960 1.00 0.48 C ATOM 532 C PRO A 35 7.802 -5.214 7.171 1.00 0.45 C ATOM 533 O PRO A 35 8.370 -4.278 7.731 1.00 0.47 O ATOM 534 CB PRO A 35 7.812 -7.372 8.450 1.00 0.63 C ATOM 535 CG PRO A 35 7.599 -8.455 7.453 1.00 0.79 C ATOM 536 CD PRO A 35 6.184 -8.302 6.976 1.00 0.50 C ATOM 0 HA PRO A 35 6.501 -5.626 8.766 1.00 0.48 H new ATOM 0 HB2 PRO A 35 8.863 -7.089 8.507 1.00 0.63 H new ATOM 0 HB3 PRO A 35 7.514 -7.691 9.449 1.00 0.63 H new ATOM 0 HG2 PRO A 35 8.302 -8.367 6.625 1.00 0.79 H new ATOM 0 HG3 PRO A 35 7.756 -9.436 7.902 1.00 0.79 H new ATOM 0 HD2 PRO A 35 6.071 -8.628 5.942 1.00 0.50 H new ATOM 0 HD3 PRO A 35 5.492 -8.894 7.574 1.00 0.50 H new ATOM 544 N PHE A 36 7.861 -5.423 5.866 1.00 0.44 N ATOM 545 CA PHE A 36 8.653 -4.585 4.977 1.00 0.49 C ATOM 546 C PHE A 36 7.982 -3.231 4.786 1.00 0.39 C ATOM 547 O PHE A 36 8.647 -2.198 4.702 1.00 0.43 O ATOM 548 CB PHE A 36 8.829 -5.304 3.635 1.00 0.62 C ATOM 549 CG PHE A 36 9.687 -4.580 2.635 1.00 0.66 C ATOM 550 CD1 PHE A 36 11.067 -4.617 2.732 1.00 0.79 C ATOM 551 CD2 PHE A 36 9.110 -3.884 1.584 1.00 1.36 C ATOM 552 CE1 PHE A 36 11.858 -3.968 1.803 1.00 1.21 C ATOM 553 CE2 PHE A 36 9.896 -3.237 0.650 1.00 2.02 C ATOM 554 CZ PHE A 36 11.271 -3.279 0.760 1.00 1.87 C ATOM 0 H PHE A 36 7.363 -6.177 5.393 1.00 0.44 H new ATOM 0 HA PHE A 36 9.634 -4.409 5.418 1.00 0.49 H new ATOM 0 HB2 PHE A 36 9.263 -6.286 3.820 1.00 0.62 H new ATOM 0 HB3 PHE A 36 7.845 -5.468 3.196 1.00 0.62 H new ATOM 0 HD1 PHE A 36 11.531 -5.159 3.543 1.00 0.79 H new ATOM 0 HD2 PHE A 36 8.034 -3.847 1.494 1.00 1.36 H new ATOM 0 HE1 PHE A 36 12.934 -4.000 1.893 1.00 1.21 H new ATOM 0 HE2 PHE A 36 9.435 -2.699 -0.165 1.00 2.02 H new ATOM 0 HZ PHE A 36 11.887 -2.774 0.031 1.00 1.87 H new ATOM 564 N LEU A 37 6.663 -3.250 4.728 1.00 0.30 N ATOM 565 CA LEU A 37 5.880 -2.042 4.527 1.00 0.29 C ATOM 566 C LEU A 37 5.497 -1.401 5.858 1.00 0.24 C ATOM 567 O LEU A 37 5.119 -0.234 5.902 1.00 0.27 O ATOM 568 CB LEU A 37 4.634 -2.381 3.718 1.00 0.31 C ATOM 569 CG LEU A 37 4.915 -3.086 2.391 1.00 0.57 C ATOM 570 CD1 LEU A 37 3.625 -3.580 1.778 1.00 0.90 C ATOM 571 CD2 LEU A 37 5.641 -2.157 1.430 1.00 1.18 C ATOM 0 H LEU A 37 6.105 -4.099 4.818 1.00 0.30 H new ATOM 0 HA LEU A 37 6.485 -1.319 3.980 1.00 0.29 H new ATOM 0 HB2 LEU A 37 3.985 -3.015 4.322 1.00 0.31 H new ATOM 0 HB3 LEU A 37 4.084 -1.461 3.518 1.00 0.31 H new ATOM 0 HG LEU A 37 5.559 -3.943 2.586 1.00 0.57 H new ATOM 0 HD11 LEU A 37 3.839 -4.080 0.833 1.00 0.90 H new ATOM 0 HD12 LEU A 37 3.144 -4.282 2.459 1.00 0.90 H new ATOM 0 HD13 LEU A 37 2.960 -2.735 1.599 1.00 0.90 H new ATOM 0 HD21 LEU A 37 5.831 -2.679 0.492 1.00 1.18 H new ATOM 0 HD22 LEU A 37 5.025 -1.279 1.238 1.00 1.18 H new ATOM 0 HD23 LEU A 37 6.588 -1.846 1.870 1.00 1.18 H new ATOM 583 N ARG A 38 5.569 -2.181 6.932 1.00 0.24 N ATOM 584 CA ARG A 38 5.275 -1.685 8.271 1.00 0.31 C ATOM 585 C ARG A 38 6.168 -0.496 8.630 1.00 0.30 C ATOM 586 O ARG A 38 7.327 -0.662 9.011 1.00 0.41 O ATOM 587 CB ARG A 38 5.434 -2.828 9.285 1.00 0.44 C ATOM 588 CG ARG A 38 5.291 -2.409 10.740 1.00 0.82 C ATOM 589 CD ARG A 38 4.819 -3.568 11.608 1.00 1.06 C ATOM 590 NE ARG A 38 3.398 -3.863 11.402 1.00 2.16 N ATOM 591 CZ ARG A 38 2.916 -5.060 11.051 1.00 2.73 C ATOM 592 NH1 ARG A 38 3.739 -6.079 10.843 1.00 2.36 N ATOM 593 NH2 ARG A 38 1.603 -5.231 10.905 1.00 3.90 N ATOM 0 H ARG A 38 5.831 -3.166 6.899 1.00 0.24 H new ATOM 0 HA ARG A 38 4.245 -1.329 8.298 1.00 0.31 H new ATOM 0 HB2 ARG A 38 4.691 -3.595 9.067 1.00 0.44 H new ATOM 0 HB3 ARG A 38 6.414 -3.285 9.147 1.00 0.44 H new ATOM 0 HG2 ARG A 38 6.248 -2.041 11.110 1.00 0.82 H new ATOM 0 HG3 ARG A 38 4.582 -1.584 10.815 1.00 0.82 H new ATOM 0 HD2 ARG A 38 5.410 -4.455 11.382 1.00 1.06 H new ATOM 0 HD3 ARG A 38 4.992 -3.329 12.657 1.00 1.06 H new ATOM 0 HE ARG A 38 2.731 -3.103 11.536 1.00 2.16 H new ATOM 0 HH11 ARG A 38 4.745 -5.952 10.951 1.00 2.36 H new ATOM 0 HH12 ARG A 38 3.366 -6.990 10.575 1.00 2.36 H new ATOM 0 HH21 ARG A 38 0.966 -4.449 11.061 1.00 3.90 H new ATOM 0 HH22 ARG A 38 1.234 -6.144 10.637 1.00 3.90 H new ATOM 607 N GLY A 39 5.616 0.701 8.483 1.00 0.28 N ATOM 608 CA GLY A 39 6.350 1.911 8.789 1.00 0.31 C ATOM 609 C GLY A 39 6.750 2.680 7.544 1.00 0.28 C ATOM 610 O GLY A 39 7.855 3.219 7.470 1.00 0.35 O ATOM 0 H GLY A 39 4.663 0.855 8.154 1.00 0.28 H new ATOM 0 HA2 GLY A 39 5.740 2.551 9.426 1.00 0.31 H new ATOM 0 HA3 GLY A 39 7.245 1.655 9.357 1.00 0.31 H new ATOM 614 N ILE A 40 5.856 2.741 6.563 1.00 0.24 N ATOM 615 CA ILE A 40 6.126 3.498 5.333 1.00 0.22 C ATOM 616 C ILE A 40 5.055 4.558 5.134 1.00 0.21 C ATOM 617 O ILE A 40 4.103 4.625 5.903 1.00 0.21 O ATOM 618 CB ILE A 40 6.184 2.606 4.063 1.00 0.21 C ATOM 619 CG1 ILE A 40 4.824 1.955 3.781 1.00 0.18 C ATOM 620 CG2 ILE A 40 7.270 1.549 4.201 1.00 0.21 C ATOM 621 CD1 ILE A 40 4.751 1.211 2.457 1.00 0.19 C ATOM 0 H ILE A 40 4.945 2.282 6.588 1.00 0.24 H new ATOM 0 HA ILE A 40 7.109 3.951 5.462 1.00 0.22 H new ATOM 0 HB ILE A 40 6.430 3.244 3.214 1.00 0.21 H new ATOM 0 HG12 ILE A 40 4.592 1.260 4.588 1.00 0.18 H new ATOM 0 HG13 ILE A 40 4.055 2.727 3.794 1.00 0.18 H new ATOM 0 HG21 ILE A 40 7.295 0.934 3.302 1.00 0.21 H new ATOM 0 HG22 ILE A 40 8.236 2.035 4.335 1.00 0.21 H new ATOM 0 HG23 ILE A 40 7.057 0.920 5.065 1.00 0.21 H new ATOM 0 HD11 ILE A 40 3.757 0.781 2.336 1.00 0.19 H new ATOM 0 HD12 ILE A 40 4.949 1.904 1.639 1.00 0.19 H new ATOM 0 HD13 ILE A 40 5.495 0.414 2.446 1.00 0.19 H new ATOM 633 N ASN A 41 5.216 5.393 4.118 1.00 0.21 N ATOM 634 CA ASN A 41 4.193 6.377 3.781 1.00 0.20 C ATOM 635 C ASN A 41 3.829 6.226 2.314 1.00 0.16 C ATOM 636 O ASN A 41 4.711 6.109 1.462 1.00 0.18 O ATOM 637 CB ASN A 41 4.679 7.813 4.045 1.00 0.29 C ATOM 638 CG ASN A 41 5.491 7.951 5.320 1.00 0.99 C ATOM 639 OD1 ASN A 41 4.943 8.108 6.410 1.00 2.00 O ATOM 640 ND2 ASN A 41 6.809 7.927 5.188 1.00 1.23 N ATOM 0 H ASN A 41 6.039 5.411 3.515 1.00 0.21 H new ATOM 0 HA ASN A 41 3.322 6.199 4.412 1.00 0.20 H new ATOM 0 HB2 ASN A 41 5.283 8.145 3.201 1.00 0.29 H new ATOM 0 HB3 ASN A 41 3.816 8.476 4.099 1.00 0.29 H new ATOM 0 HD21 ASN A 41 7.406 8.041 6.007 1.00 1.23 H new ATOM 0 HD22 ASN A 41 7.227 7.795 4.267 1.00 1.23 H new ATOM 647 N VAL A 42 2.540 6.227 2.021 1.00 0.13 N ATOM 648 CA VAL A 42 2.069 6.076 0.652 1.00 0.14 C ATOM 649 C VAL A 42 1.031 7.134 0.326 1.00 0.15 C ATOM 650 O VAL A 42 0.264 7.562 1.191 1.00 0.18 O ATOM 651 CB VAL A 42 1.453 4.680 0.399 1.00 0.16 C ATOM 652 CG1 VAL A 42 2.507 3.589 0.515 1.00 0.17 C ATOM 653 CG2 VAL A 42 0.303 4.415 1.358 1.00 0.19 C ATOM 0 H VAL A 42 1.798 6.331 2.713 1.00 0.13 H new ATOM 0 HA VAL A 42 2.940 6.193 0.007 1.00 0.14 H new ATOM 0 HB VAL A 42 1.062 4.667 -0.618 1.00 0.16 H new ATOM 0 HG11 VAL A 42 2.047 2.618 0.333 1.00 0.17 H new ATOM 0 HG12 VAL A 42 3.293 3.762 -0.221 1.00 0.17 H new ATOM 0 HG13 VAL A 42 2.938 3.604 1.516 1.00 0.17 H new ATOM 0 HG21 VAL A 42 -0.115 3.428 1.161 1.00 0.19 H new ATOM 0 HG22 VAL A 42 0.668 4.457 2.384 1.00 0.19 H new ATOM 0 HG23 VAL A 42 -0.470 5.170 1.217 1.00 0.19 H new ATOM 663 N VAL A 43 1.021 7.562 -0.918 1.00 0.18 N ATOM 664 CA VAL A 43 0.019 8.487 -1.400 1.00 0.22 C ATOM 665 C VAL A 43 -1.146 7.695 -1.974 1.00 0.20 C ATOM 666 O VAL A 43 -0.993 6.981 -2.965 1.00 0.20 O ATOM 667 CB VAL A 43 0.587 9.422 -2.493 1.00 0.28 C ATOM 668 CG1 VAL A 43 -0.430 10.490 -2.870 1.00 0.88 C ATOM 669 CG2 VAL A 43 1.894 10.056 -2.035 1.00 0.75 C ATOM 0 H VAL A 43 1.704 7.280 -1.621 1.00 0.18 H new ATOM 0 HA VAL A 43 -0.308 9.105 -0.564 1.00 0.22 H new ATOM 0 HB VAL A 43 0.794 8.823 -3.380 1.00 0.28 H new ATOM 0 HG11 VAL A 43 -0.010 11.137 -3.640 1.00 0.88 H new ATOM 0 HG12 VAL A 43 -1.334 10.014 -3.249 1.00 0.88 H new ATOM 0 HG13 VAL A 43 -0.675 11.085 -1.991 1.00 0.88 H new ATOM 0 HG21 VAL A 43 2.276 10.710 -2.819 1.00 0.75 H new ATOM 0 HG22 VAL A 43 1.719 10.638 -1.131 1.00 0.75 H new ATOM 0 HG23 VAL A 43 2.624 9.274 -1.827 1.00 0.75 H new ATOM 679 N TYR A 44 -2.299 7.800 -1.346 1.00 0.21 N ATOM 680 CA TYR A 44 -3.469 7.077 -1.801 1.00 0.22 C ATOM 681 C TYR A 44 -4.216 7.907 -2.826 1.00 0.22 C ATOM 682 O TYR A 44 -4.699 9.001 -2.522 1.00 0.24 O ATOM 683 CB TYR A 44 -4.379 6.737 -0.615 1.00 0.27 C ATOM 684 CG TYR A 44 -5.755 6.231 -1.006 1.00 0.32 C ATOM 685 CD1 TYR A 44 -5.932 4.959 -1.539 1.00 0.39 C ATOM 686 CD2 TYR A 44 -6.879 7.031 -0.833 1.00 0.42 C ATOM 687 CE1 TYR A 44 -7.190 4.501 -1.890 1.00 0.47 C ATOM 688 CE2 TYR A 44 -8.137 6.580 -1.182 1.00 0.50 C ATOM 689 CZ TYR A 44 -8.287 5.317 -1.708 1.00 0.50 C ATOM 690 OH TYR A 44 -9.540 4.869 -2.059 1.00 0.59 O ATOM 0 H TYR A 44 -2.451 8.378 -0.520 1.00 0.21 H new ATOM 0 HA TYR A 44 -3.153 6.143 -2.267 1.00 0.22 H new ATOM 0 HB2 TYR A 44 -3.888 5.982 -0.001 1.00 0.27 H new ATOM 0 HB3 TYR A 44 -4.495 7.626 0.005 1.00 0.27 H new ATOM 0 HD1 TYR A 44 -5.074 4.318 -1.681 1.00 0.39 H new ATOM 0 HD2 TYR A 44 -6.766 8.022 -0.419 1.00 0.42 H new ATOM 0 HE1 TYR A 44 -7.312 3.511 -2.304 1.00 0.47 H new ATOM 0 HE2 TYR A 44 -8.999 7.216 -1.043 1.00 0.50 H new ATOM 0 HH TYR A 44 -9.543 3.889 -2.081 1.00 0.59 H new ATOM 700 N THR A 45 -4.274 7.398 -4.045 1.00 0.24 N ATOM 701 CA THR A 45 -5.000 8.055 -5.108 1.00 0.28 C ATOM 702 C THR A 45 -6.443 7.573 -5.116 1.00 0.28 C ATOM 703 O THR A 45 -6.729 6.442 -5.517 1.00 0.30 O ATOM 704 CB THR A 45 -4.337 7.788 -6.471 1.00 0.36 C ATOM 705 OG1 THR A 45 -4.014 6.396 -6.590 1.00 1.08 O ATOM 706 CG2 THR A 45 -3.073 8.620 -6.631 1.00 1.10 C ATOM 0 H THR A 45 -3.822 6.526 -4.320 1.00 0.24 H new ATOM 0 HA THR A 45 -4.983 9.130 -4.931 1.00 0.28 H new ATOM 0 HB THR A 45 -5.040 8.070 -7.255 1.00 0.36 H new ATOM 0 HG1 THR A 45 -4.779 5.857 -6.300 1.00 1.08 H new ATOM 0 HG21 THR A 45 -2.622 8.414 -7.602 1.00 1.10 H new ATOM 0 HG22 THR A 45 -3.323 9.679 -6.564 1.00 1.10 H new ATOM 0 HG23 THR A 45 -2.367 8.364 -5.841 1.00 1.10 H new ATOM 714 N PRO A 46 -7.365 8.417 -4.649 1.00 0.31 N ATOM 715 CA PRO A 46 -8.765 8.061 -4.507 1.00 0.35 C ATOM 716 C PRO A 46 -9.524 8.182 -5.816 1.00 0.38 C ATOM 717 O PRO A 46 -9.339 9.141 -6.569 1.00 0.38 O ATOM 718 CB PRO A 46 -9.306 9.083 -3.491 1.00 0.40 C ATOM 719 CG PRO A 46 -8.149 9.962 -3.126 1.00 0.47 C ATOM 720 CD PRO A 46 -7.127 9.792 -4.212 1.00 0.37 C ATOM 0 HA PRO A 46 -8.884 7.024 -4.192 1.00 0.35 H new ATOM 0 HB2 PRO A 46 -10.118 9.668 -3.922 1.00 0.40 H new ATOM 0 HB3 PRO A 46 -9.707 8.581 -2.610 1.00 0.40 H new ATOM 0 HG2 PRO A 46 -8.462 11.003 -3.047 1.00 0.47 H new ATOM 0 HG3 PRO A 46 -7.737 9.679 -2.157 1.00 0.47 H new ATOM 0 HD2 PRO A 46 -7.271 10.507 -5.022 1.00 0.37 H new ATOM 0 HD3 PRO A 46 -6.112 9.931 -3.841 1.00 0.37 H new ATOM 728 N PRO A 47 -10.366 7.189 -6.117 1.00 0.45 N ATOM 729 CA PRO A 47 -11.328 7.290 -7.208 1.00 0.56 C ATOM 730 C PRO A 47 -12.191 8.531 -7.026 1.00 0.59 C ATOM 731 O PRO A 47 -12.601 8.845 -5.908 1.00 0.56 O ATOM 732 CB PRO A 47 -12.162 6.013 -7.074 1.00 0.62 C ATOM 733 CG PRO A 47 -11.280 5.058 -6.347 1.00 0.55 C ATOM 734 CD PRO A 47 -10.437 5.892 -5.427 1.00 0.49 C ATOM 0 HA PRO A 47 -10.864 7.381 -8.190 1.00 0.56 H new ATOM 0 HB2 PRO A 47 -13.084 6.198 -6.523 1.00 0.62 H new ATOM 0 HB3 PRO A 47 -12.448 5.623 -8.051 1.00 0.62 H new ATOM 0 HG2 PRO A 47 -11.869 4.332 -5.786 1.00 0.55 H new ATOM 0 HG3 PRO A 47 -10.658 4.494 -7.042 1.00 0.55 H new ATOM 0 HD2 PRO A 47 -10.890 5.986 -4.440 1.00 0.49 H new ATOM 0 HD3 PRO A 47 -9.448 5.458 -5.284 1.00 0.49 H new ATOM 742 N GLN A 48 -12.466 9.237 -8.110 1.00 0.70 N ATOM 743 CA GLN A 48 -13.109 10.543 -8.024 1.00 0.79 C ATOM 744 C GLN A 48 -14.558 10.446 -7.543 1.00 0.77 C ATOM 745 O GLN A 48 -15.189 11.462 -7.261 1.00 0.83 O ATOM 746 CB GLN A 48 -13.012 11.270 -9.362 1.00 0.96 C ATOM 747 CG GLN A 48 -11.580 11.637 -9.725 1.00 1.50 C ATOM 748 CD GLN A 48 -11.470 12.397 -11.029 1.00 1.79 C ATOM 749 OE1 GLN A 48 -12.267 12.203 -11.945 1.00 2.22 O ATOM 750 NE2 GLN A 48 -10.487 13.278 -11.116 1.00 2.18 N ATOM 0 H GLN A 48 -12.255 8.931 -9.060 1.00 0.70 H new ATOM 0 HA GLN A 48 -12.575 11.126 -7.274 1.00 0.79 H new ATOM 0 HB2 GLN A 48 -13.431 10.639 -10.146 1.00 0.96 H new ATOM 0 HB3 GLN A 48 -13.617 12.176 -9.324 1.00 0.96 H new ATOM 0 HG2 GLN A 48 -11.152 12.240 -8.924 1.00 1.50 H new ATOM 0 HG3 GLN A 48 -10.984 10.727 -9.792 1.00 1.50 H new ATOM 0 HE21 GLN A 48 -9.848 13.408 -10.332 1.00 2.18 H new ATOM 0 HE22 GLN A 48 -10.369 13.828 -11.967 1.00 2.18 H new ATOM 759 N SER A 49 -15.073 9.226 -7.430 1.00 0.72 N ATOM 760 CA SER A 49 -16.372 8.999 -6.809 1.00 0.74 C ATOM 761 C SER A 49 -16.288 9.289 -5.305 1.00 0.71 C ATOM 762 O SER A 49 -17.290 9.598 -4.659 1.00 0.78 O ATOM 763 CB SER A 49 -16.826 7.554 -7.050 1.00 0.77 C ATOM 764 OG SER A 49 -18.126 7.313 -6.533 1.00 1.75 O ATOM 0 H SER A 49 -14.610 8.379 -7.761 1.00 0.72 H new ATOM 0 HA SER A 49 -17.104 9.672 -7.256 1.00 0.74 H new ATOM 0 HB2 SER A 49 -16.816 7.344 -8.120 1.00 0.77 H new ATOM 0 HB3 SER A 49 -16.118 6.869 -6.584 1.00 0.77 H new ATOM 0 HG SER A 49 -18.509 6.522 -6.966 1.00 1.75 H new ATOM 770 N PHE A 50 -15.076 9.195 -4.760 1.00 0.65 N ATOM 771 CA PHE A 50 -14.851 9.461 -3.344 1.00 0.64 C ATOM 772 C PHE A 50 -14.835 10.954 -3.056 1.00 0.71 C ATOM 773 O PHE A 50 -15.148 11.376 -1.942 1.00 0.77 O ATOM 774 CB PHE A 50 -13.536 8.842 -2.863 1.00 0.57 C ATOM 775 CG PHE A 50 -13.602 7.364 -2.627 1.00 0.53 C ATOM 776 CD1 PHE A 50 -13.335 6.474 -3.648 1.00 0.60 C ATOM 777 CD2 PHE A 50 -13.928 6.867 -1.376 1.00 0.59 C ATOM 778 CE1 PHE A 50 -13.390 5.113 -3.431 1.00 0.68 C ATOM 779 CE2 PHE A 50 -13.984 5.507 -1.151 1.00 0.66 C ATOM 780 CZ PHE A 50 -13.715 4.627 -2.181 1.00 0.68 C ATOM 0 H PHE A 50 -14.237 8.937 -5.279 1.00 0.65 H new ATOM 0 HA PHE A 50 -15.679 9.003 -2.803 1.00 0.64 H new ATOM 0 HB2 PHE A 50 -12.760 9.046 -3.601 1.00 0.57 H new ATOM 0 HB3 PHE A 50 -13.233 9.333 -1.938 1.00 0.57 H new ATOM 0 HD1 PHE A 50 -13.080 6.848 -4.629 1.00 0.60 H new ATOM 0 HD2 PHE A 50 -14.141 7.551 -0.568 1.00 0.59 H new ATOM 0 HE1 PHE A 50 -13.179 4.428 -4.239 1.00 0.68 H new ATOM 0 HE2 PHE A 50 -14.238 5.131 -0.171 1.00 0.66 H new ATOM 0 HZ PHE A 50 -13.759 3.562 -2.009 1.00 0.68 H new ATOM 790 N GLN A 51 -14.433 11.743 -4.057 1.00 0.72 N ATOM 791 CA GLN A 51 -14.403 13.203 -3.947 1.00 0.79 C ATOM 792 C GLN A 51 -13.342 13.639 -2.945 1.00 0.66 C ATOM 793 O GLN A 51 -13.487 14.653 -2.263 1.00 0.83 O ATOM 794 CB GLN A 51 -15.775 13.758 -3.547 1.00 1.07 C ATOM 795 CG GLN A 51 -16.877 13.435 -4.542 1.00 1.23 C ATOM 796 CD GLN A 51 -18.235 13.909 -4.072 1.00 1.98 C ATOM 797 OE1 GLN A 51 -18.512 13.959 -2.871 1.00 2.73 O ATOM 798 NE2 GLN A 51 -19.096 14.260 -5.011 1.00 2.45 N ATOM 0 H GLN A 51 -14.121 11.389 -4.961 1.00 0.72 H new ATOM 0 HA GLN A 51 -14.149 13.608 -4.927 1.00 0.79 H new ATOM 0 HB2 GLN A 51 -16.049 13.357 -2.571 1.00 1.07 H new ATOM 0 HB3 GLN A 51 -15.702 14.840 -3.438 1.00 1.07 H new ATOM 0 HG2 GLN A 51 -16.645 13.899 -5.501 1.00 1.23 H new ATOM 0 HG3 GLN A 51 -16.908 12.358 -4.708 1.00 1.23 H new ATOM 0 HE21 GLN A 51 -18.829 14.205 -5.994 1.00 2.45 H new ATOM 0 HE22 GLN A 51 -20.027 14.586 -4.753 1.00 2.45 H new ATOM 807 N SER A 52 -12.264 12.872 -2.885 1.00 0.53 N ATOM 808 CA SER A 52 -11.206 13.106 -1.917 1.00 0.50 C ATOM 809 C SER A 52 -9.886 13.385 -2.630 1.00 0.42 C ATOM 810 O SER A 52 -9.661 12.910 -3.746 1.00 0.44 O ATOM 811 CB SER A 52 -11.072 11.886 -1.002 1.00 0.55 C ATOM 812 OG SER A 52 -12.310 11.578 -0.378 1.00 1.21 O ATOM 0 H SER A 52 -12.099 12.076 -3.501 1.00 0.53 H new ATOM 0 HA SER A 52 -11.459 13.978 -1.314 1.00 0.50 H new ATOM 0 HB2 SER A 52 -10.730 11.029 -1.581 1.00 0.55 H new ATOM 0 HB3 SER A 52 -10.316 12.079 -0.241 1.00 0.55 H new ATOM 0 HG SER A 52 -12.199 10.794 0.200 1.00 1.21 H new ATOM 818 N ALA A 53 -9.032 14.163 -1.986 1.00 0.48 N ATOM 819 CA ALA A 53 -7.734 14.517 -2.542 1.00 0.52 C ATOM 820 C ALA A 53 -6.693 13.463 -2.180 1.00 0.41 C ATOM 821 O ALA A 53 -6.742 12.905 -1.083 1.00 0.44 O ATOM 822 CB ALA A 53 -7.309 15.882 -2.024 1.00 0.73 C ATOM 0 H ALA A 53 -9.216 14.566 -1.067 1.00 0.48 H new ATOM 0 HA ALA A 53 -7.814 14.558 -3.628 1.00 0.52 H new ATOM 0 HB1 ALA A 53 -6.337 16.143 -2.442 1.00 0.73 H new ATOM 0 HB2 ALA A 53 -8.045 16.629 -2.321 1.00 0.73 H new ATOM 0 HB3 ALA A 53 -7.240 15.853 -0.937 1.00 0.73 H new ATOM 828 N PRO A 54 -5.759 13.160 -3.112 1.00 0.39 N ATOM 829 CA PRO A 54 -4.676 12.192 -2.884 1.00 0.32 C ATOM 830 C PRO A 54 -4.003 12.396 -1.531 1.00 0.29 C ATOM 831 O PRO A 54 -3.260 13.359 -1.326 1.00 0.36 O ATOM 832 CB PRO A 54 -3.701 12.484 -4.024 1.00 0.39 C ATOM 833 CG PRO A 54 -4.557 13.003 -5.125 1.00 0.52 C ATOM 834 CD PRO A 54 -5.686 13.750 -4.465 1.00 0.52 C ATOM 0 HA PRO A 54 -5.035 11.163 -2.870 1.00 0.32 H new ATOM 0 HB2 PRO A 54 -2.951 13.216 -3.726 1.00 0.39 H new ATOM 0 HB3 PRO A 54 -3.166 11.585 -4.328 1.00 0.39 H new ATOM 0 HG2 PRO A 54 -3.988 13.660 -5.783 1.00 0.52 H new ATOM 0 HG3 PRO A 54 -4.937 12.187 -5.740 1.00 0.52 H new ATOM 0 HD2 PRO A 54 -5.486 14.821 -4.424 1.00 0.52 H new ATOM 0 HD3 PRO A 54 -6.622 13.621 -5.008 1.00 0.52 H new ATOM 842 N ARG A 55 -4.269 11.479 -0.614 1.00 0.26 N ATOM 843 CA ARG A 55 -3.872 11.642 0.775 1.00 0.31 C ATOM 844 C ARG A 55 -2.699 10.732 1.114 1.00 0.24 C ATOM 845 O ARG A 55 -2.692 9.560 0.745 1.00 0.20 O ATOM 846 CB ARG A 55 -5.065 11.318 1.681 1.00 0.42 C ATOM 847 CG ARG A 55 -4.850 11.664 3.144 1.00 1.13 C ATOM 848 CD ARG A 55 -4.856 13.164 3.363 1.00 1.35 C ATOM 849 NE ARG A 55 -4.607 13.512 4.760 1.00 2.05 N ATOM 850 CZ ARG A 55 -4.568 14.760 5.221 1.00 2.41 C ATOM 851 NH1 ARG A 55 -4.804 15.781 4.409 1.00 2.30 N ATOM 852 NH2 ARG A 55 -4.299 14.987 6.499 1.00 3.34 N ATOM 0 H ARG A 55 -4.762 10.608 -0.809 1.00 0.26 H new ATOM 0 HA ARG A 55 -3.557 12.673 0.934 1.00 0.31 H new ATOM 0 HB2 ARG A 55 -5.940 11.857 1.317 1.00 0.42 H new ATOM 0 HB3 ARG A 55 -5.289 10.254 1.600 1.00 0.42 H new ATOM 0 HG2 ARG A 55 -5.632 11.203 3.747 1.00 1.13 H new ATOM 0 HG3 ARG A 55 -3.901 11.249 3.482 1.00 1.13 H new ATOM 0 HD2 ARG A 55 -4.096 13.626 2.733 1.00 1.35 H new ATOM 0 HD3 ARG A 55 -5.818 13.572 3.053 1.00 1.35 H new ATOM 0 HE ARG A 55 -4.454 12.752 5.423 1.00 2.05 H new ATOM 0 HH11 ARG A 55 -5.017 15.612 3.426 1.00 2.30 H new ATOM 0 HH12 ARG A 55 -4.773 16.735 4.767 1.00 2.30 H new ATOM 0 HH21 ARG A 55 -4.122 14.205 7.130 1.00 3.34 H new ATOM 0 HH22 ARG A 55 -4.269 15.944 6.852 1.00 3.34 H new ATOM 866 N VAL A 56 -1.711 11.276 1.810 1.00 0.26 N ATOM 867 CA VAL A 56 -0.572 10.490 2.252 1.00 0.24 C ATOM 868 C VAL A 56 -0.891 9.801 3.571 1.00 0.22 C ATOM 869 O VAL A 56 -1.092 10.457 4.596 1.00 0.25 O ATOM 870 CB VAL A 56 0.697 11.358 2.421 1.00 0.29 C ATOM 871 CG1 VAL A 56 1.864 10.518 2.922 1.00 1.48 C ATOM 872 CG2 VAL A 56 1.059 12.043 1.111 1.00 1.32 C ATOM 0 H VAL A 56 -1.677 12.259 2.080 1.00 0.26 H new ATOM 0 HA VAL A 56 -0.373 9.745 1.482 1.00 0.24 H new ATOM 0 HB VAL A 56 0.484 12.126 3.164 1.00 0.29 H new ATOM 0 HG11 VAL A 56 2.745 11.149 3.033 1.00 1.48 H new ATOM 0 HG12 VAL A 56 1.608 10.078 3.886 1.00 1.48 H new ATOM 0 HG13 VAL A 56 2.075 9.724 2.206 1.00 1.48 H new ATOM 0 HG21 VAL A 56 1.954 12.648 1.252 1.00 1.32 H new ATOM 0 HG22 VAL A 56 1.247 11.289 0.346 1.00 1.32 H new ATOM 0 HG23 VAL A 56 0.235 12.682 0.795 1.00 1.32 H new ATOM 882 N TYR A 57 -0.948 8.481 3.533 1.00 0.22 N ATOM 883 CA TYR A 57 -1.268 7.696 4.712 1.00 0.25 C ATOM 884 C TYR A 57 -0.031 6.978 5.232 1.00 0.25 C ATOM 885 O TYR A 57 0.805 6.505 4.455 1.00 0.27 O ATOM 886 CB TYR A 57 -2.365 6.677 4.399 1.00 0.27 C ATOM 887 CG TYR A 57 -3.723 7.290 4.136 1.00 0.31 C ATOM 888 CD1 TYR A 57 -4.370 8.034 5.115 1.00 0.44 C ATOM 889 CD2 TYR A 57 -4.364 7.108 2.919 1.00 0.40 C ATOM 890 CE1 TYR A 57 -5.619 8.579 4.888 1.00 0.49 C ATOM 891 CE2 TYR A 57 -5.612 7.653 2.682 1.00 0.47 C ATOM 892 CZ TYR A 57 -6.235 8.387 3.669 1.00 0.46 C ATOM 893 OH TYR A 57 -7.482 8.925 3.438 1.00 0.54 O ATOM 0 H TYR A 57 -0.776 7.928 2.693 1.00 0.22 H new ATOM 0 HA TYR A 57 -1.629 8.378 5.482 1.00 0.25 H new ATOM 0 HB2 TYR A 57 -2.067 6.095 3.527 1.00 0.27 H new ATOM 0 HB3 TYR A 57 -2.448 5.981 5.234 1.00 0.27 H new ATOM 0 HD1 TYR A 57 -3.889 8.189 6.069 1.00 0.44 H new ATOM 0 HD2 TYR A 57 -3.880 6.531 2.145 1.00 0.40 H new ATOM 0 HE1 TYR A 57 -6.110 9.152 5.661 1.00 0.49 H new ATOM 0 HE2 TYR A 57 -6.097 7.505 1.728 1.00 0.47 H new ATOM 0 HH TYR A 57 -7.773 8.698 2.530 1.00 0.54 H new ATOM 903 N ARG A 58 0.080 6.911 6.547 1.00 0.27 N ATOM 904 CA ARG A 58 1.183 6.226 7.191 1.00 0.31 C ATOM 905 C ARG A 58 0.832 4.758 7.386 1.00 0.27 C ATOM 906 O ARG A 58 -0.130 4.415 8.079 1.00 0.31 O ATOM 907 CB ARG A 58 1.517 6.902 8.522 1.00 0.42 C ATOM 908 CG ARG A 58 2.574 6.190 9.347 1.00 0.55 C ATOM 909 CD ARG A 58 3.942 6.355 8.721 1.00 1.11 C ATOM 910 NE ARG A 58 5.005 5.746 9.521 1.00 1.70 N ATOM 911 CZ ARG A 58 6.298 6.004 9.344 1.00 2.56 C ATOM 912 NH1 ARG A 58 6.677 6.852 8.393 1.00 3.09 N ATOM 913 NH2 ARG A 58 7.209 5.415 10.111 1.00 3.26 N ATOM 0 H ARG A 58 -0.589 7.328 7.194 1.00 0.27 H new ATOM 0 HA ARG A 58 2.068 6.283 6.557 1.00 0.31 H new ATOM 0 HB2 ARG A 58 1.855 7.919 8.323 1.00 0.42 H new ATOM 0 HB3 ARG A 58 0.605 6.979 9.114 1.00 0.42 H new ATOM 0 HG2 ARG A 58 2.582 6.590 10.361 1.00 0.55 H new ATOM 0 HG3 ARG A 58 2.329 5.131 9.424 1.00 0.55 H new ATOM 0 HD2 ARG A 58 3.939 5.907 7.727 1.00 1.11 H new ATOM 0 HD3 ARG A 58 4.153 7.417 8.592 1.00 1.11 H new ATOM 0 HE ARG A 58 4.740 5.088 10.254 1.00 1.70 H new ATOM 0 HH11 ARG A 58 5.977 7.302 7.803 1.00 3.09 H new ATOM 0 HH12 ARG A 58 7.667 7.053 8.254 1.00 3.09 H new ATOM 0 HH21 ARG A 58 6.918 4.762 10.839 1.00 3.26 H new ATOM 0 HH22 ARG A 58 8.199 5.616 9.972 1.00 3.26 H new ATOM 927 N VAL A 59 1.615 3.909 6.751 1.00 0.25 N ATOM 928 CA VAL A 59 1.373 2.481 6.746 1.00 0.25 C ATOM 929 C VAL A 59 1.890 1.820 8.010 1.00 0.25 C ATOM 930 O VAL A 59 3.107 1.772 8.244 1.00 0.26 O ATOM 931 CB VAL A 59 2.041 1.809 5.530 1.00 0.31 C ATOM 932 CG1 VAL A 59 1.904 0.296 5.599 1.00 0.45 C ATOM 933 CG2 VAL A 59 1.445 2.336 4.241 1.00 0.36 C ATOM 0 H VAL A 59 2.440 4.192 6.222 1.00 0.25 H new ATOM 0 HA VAL A 59 0.292 2.350 6.691 1.00 0.25 H new ATOM 0 HB VAL A 59 3.103 2.053 5.549 1.00 0.31 H new ATOM 0 HG11 VAL A 59 2.384 -0.153 4.729 1.00 0.45 H new ATOM 0 HG12 VAL A 59 2.382 -0.072 6.507 1.00 0.45 H new ATOM 0 HG13 VAL A 59 0.848 0.026 5.610 1.00 0.45 H new ATOM 0 HG21 VAL A 59 1.928 1.851 3.392 1.00 0.36 H new ATOM 0 HG22 VAL A 59 0.376 2.123 4.221 1.00 0.36 H new ATOM 0 HG23 VAL A 59 1.602 3.413 4.181 1.00 0.36 H new ATOM 943 N ASN A 60 0.953 1.322 8.813 1.00 0.28 N ATOM 944 CA ASN A 60 1.280 0.481 9.952 1.00 0.32 C ATOM 945 C ASN A 60 1.625 -0.913 9.457 1.00 0.32 C ATOM 946 O ASN A 60 2.445 -1.609 10.047 1.00 0.37 O ATOM 947 CB ASN A 60 0.110 0.418 10.945 1.00 0.41 C ATOM 948 CG ASN A 60 0.265 -0.702 11.967 1.00 1.12 C ATOM 949 OD1 ASN A 60 -0.225 -1.817 11.765 1.00 1.92 O ATOM 950 ND2 ASN A 60 0.949 -0.420 13.064 1.00 1.68 N ATOM 0 H ASN A 60 -0.046 1.491 8.691 1.00 0.28 H new ATOM 0 HA ASN A 60 2.136 0.909 10.474 1.00 0.32 H new ATOM 0 HB2 ASN A 60 0.030 1.372 11.467 1.00 0.41 H new ATOM 0 HB3 ASN A 60 -0.820 0.276 10.395 1.00 0.41 H new ATOM 0 HD21 ASN A 60 1.086 -1.136 13.778 1.00 1.68 H new ATOM 0 HD22 ASN A 60 1.339 0.513 13.196 1.00 1.68 H new ATOM 957 N GLY A 61 0.995 -1.311 8.360 1.00 0.40 N ATOM 958 CA GLY A 61 1.290 -2.591 7.758 1.00 0.47 C ATOM 959 C GLY A 61 0.204 -3.042 6.808 1.00 0.43 C ATOM 960 O GLY A 61 -0.407 -2.223 6.122 1.00 0.43 O ATOM 0 H GLY A 61 0.282 -0.765 7.876 1.00 0.40 H new ATOM 0 HA2 GLY A 61 2.236 -2.528 7.221 1.00 0.47 H new ATOM 0 HA3 GLY A 61 1.417 -3.338 8.542 1.00 0.47 H new ATOM 964 N LEU A 62 -0.046 -4.340 6.768 1.00 0.41 N ATOM 965 CA LEU A 62 -1.048 -4.903 5.881 1.00 0.38 C ATOM 966 C LEU A 62 -2.086 -5.662 6.694 1.00 0.38 C ATOM 967 O LEU A 62 -1.804 -6.107 7.808 1.00 0.42 O ATOM 968 CB LEU A 62 -0.378 -5.823 4.858 1.00 0.39 C ATOM 969 CG LEU A 62 0.549 -5.111 3.870 1.00 0.45 C ATOM 970 CD1 LEU A 62 1.310 -6.111 3.030 1.00 0.43 C ATOM 971 CD2 LEU A 62 -0.248 -4.183 2.973 1.00 0.55 C ATOM 0 H LEU A 62 0.437 -5.028 7.346 1.00 0.41 H new ATOM 0 HA LEU A 62 -1.551 -4.099 5.343 1.00 0.38 H new ATOM 0 HB2 LEU A 62 0.195 -6.581 5.392 1.00 0.39 H new ATOM 0 HB3 LEU A 62 -1.153 -6.345 4.297 1.00 0.39 H new ATOM 0 HG LEU A 62 1.266 -4.523 4.443 1.00 0.45 H new ATOM 0 HD11 LEU A 62 1.962 -5.581 2.335 1.00 0.43 H new ATOM 0 HD12 LEU A 62 1.912 -6.748 3.679 1.00 0.43 H new ATOM 0 HD13 LEU A 62 0.606 -6.726 2.469 1.00 0.43 H new ATOM 0 HD21 LEU A 62 0.425 -3.684 2.276 1.00 0.55 H new ATOM 0 HD22 LEU A 62 -0.985 -4.761 2.415 1.00 0.55 H new ATOM 0 HD23 LEU A 62 -0.758 -3.437 3.583 1.00 0.55 H new ATOM 983 N SER A 63 -3.287 -5.787 6.145 1.00 0.36 N ATOM 984 CA SER A 63 -4.389 -6.411 6.859 1.00 0.40 C ATOM 985 C SER A 63 -4.239 -7.929 6.916 1.00 0.46 C ATOM 986 O SER A 63 -3.749 -8.564 5.981 1.00 0.62 O ATOM 987 CB SER A 63 -5.726 -6.041 6.214 1.00 0.44 C ATOM 988 OG SER A 63 -6.806 -6.656 6.899 1.00 1.45 O ATOM 0 H SER A 63 -3.521 -5.464 5.206 1.00 0.36 H new ATOM 0 HA SER A 63 -4.368 -6.033 7.881 1.00 0.40 H new ATOM 0 HB2 SER A 63 -5.852 -4.958 6.225 1.00 0.44 H new ATOM 0 HB3 SER A 63 -5.729 -6.352 5.169 1.00 0.44 H new ATOM 0 HG SER A 63 -7.553 -6.025 6.966 1.00 1.45 H new ATOM 994 N ARG A 64 -4.665 -8.471 8.054 1.00 0.73 N ATOM 995 CA ARG A 64 -4.654 -9.910 8.331 1.00 0.94 C ATOM 996 C ARG A 64 -5.501 -10.710 7.336 1.00 0.65 C ATOM 997 O ARG A 64 -5.439 -11.943 7.310 1.00 0.72 O ATOM 998 CB ARG A 64 -5.180 -10.152 9.750 1.00 1.40 C ATOM 999 CG ARG A 64 -6.586 -9.607 9.962 1.00 2.25 C ATOM 1000 CD ARG A 64 -7.020 -9.684 11.415 1.00 2.62 C ATOM 1001 NE ARG A 64 -7.181 -11.059 11.887 1.00 3.28 N ATOM 1002 CZ ARG A 64 -7.965 -11.402 12.912 1.00 3.81 C ATOM 1003 NH1 ARG A 64 -8.713 -10.489 13.522 1.00 3.76 N ATOM 1004 NH2 ARG A 64 -8.028 -12.665 13.309 1.00 4.70 N ATOM 0 H ARG A 64 -5.035 -7.915 8.825 1.00 0.73 H new ATOM 0 HA ARG A 64 -3.625 -10.254 8.231 1.00 0.94 H new ATOM 0 HB2 ARG A 64 -5.176 -11.222 9.956 1.00 1.40 H new ATOM 0 HB3 ARG A 64 -4.504 -9.687 10.467 1.00 1.40 H new ATOM 0 HG2 ARG A 64 -6.626 -8.570 9.628 1.00 2.25 H new ATOM 0 HG3 ARG A 64 -7.288 -10.168 9.345 1.00 2.25 H new ATOM 0 HD2 ARG A 64 -6.283 -9.175 12.037 1.00 2.62 H new ATOM 0 HD3 ARG A 64 -7.963 -9.150 11.537 1.00 2.62 H new ATOM 0 HE ARG A 64 -6.666 -11.797 11.407 1.00 3.28 H new ATOM 0 HH11 ARG A 64 -8.691 -9.519 13.208 1.00 3.76 H new ATOM 0 HH12 ARG A 64 -9.310 -10.758 14.304 1.00 3.76 H new ATOM 0 HH21 ARG A 64 -7.477 -13.378 12.831 1.00 4.70 H new ATOM 0 HH22 ARG A 64 -8.628 -12.924 14.092 1.00 4.70 H new ATOM 1018 N ALA A 65 -6.301 -10.020 6.540 1.00 0.45 N ATOM 1019 CA ALA A 65 -7.180 -10.681 5.591 1.00 0.32 C ATOM 1020 C ALA A 65 -7.213 -9.934 4.262 1.00 0.30 C ATOM 1021 O ALA A 65 -7.033 -8.716 4.217 1.00 0.33 O ATOM 1022 CB ALA A 65 -8.580 -10.796 6.176 1.00 0.47 C ATOM 0 H ALA A 65 -6.360 -9.002 6.532 1.00 0.45 H new ATOM 0 HA ALA A 65 -6.793 -11.682 5.400 1.00 0.32 H new ATOM 0 HB1 ALA A 65 -9.234 -11.293 5.459 1.00 0.47 H new ATOM 0 HB2 ALA A 65 -8.543 -11.378 7.097 1.00 0.47 H new ATOM 0 HB3 ALA A 65 -8.967 -9.800 6.391 1.00 0.47 H new ATOM 1028 N PRO A 66 -7.407 -10.670 3.157 1.00 0.27 N ATOM 1029 CA PRO A 66 -7.579 -10.080 1.825 1.00 0.29 C ATOM 1030 C PRO A 66 -8.848 -9.235 1.740 1.00 0.27 C ATOM 1031 O PRO A 66 -9.833 -9.506 2.428 1.00 0.26 O ATOM 1032 CB PRO A 66 -7.685 -11.301 0.897 1.00 0.32 C ATOM 1033 CG PRO A 66 -7.123 -12.437 1.681 1.00 0.30 C ATOM 1034 CD PRO A 66 -7.449 -12.140 3.112 1.00 0.27 C ATOM 0 HA PRO A 66 -6.761 -9.408 1.565 1.00 0.29 H new ATOM 0 HB2 PRO A 66 -8.720 -11.492 0.614 1.00 0.32 H new ATOM 0 HB3 PRO A 66 -7.126 -11.144 -0.025 1.00 0.32 H new ATOM 0 HG2 PRO A 66 -7.562 -13.384 1.368 1.00 0.30 H new ATOM 0 HG3 PRO A 66 -6.046 -12.520 1.534 1.00 0.30 H new ATOM 0 HD2 PRO A 66 -8.429 -12.525 3.392 1.00 0.27 H new ATOM 0 HD3 PRO A 66 -6.725 -12.586 3.793 1.00 0.27 H new ATOM 1042 N ALA A 67 -8.825 -8.229 0.866 1.00 0.29 N ATOM 1043 CA ALA A 67 -9.925 -7.272 0.736 1.00 0.28 C ATOM 1044 C ALA A 67 -11.207 -7.943 0.250 1.00 0.26 C ATOM 1045 O ALA A 67 -12.286 -7.350 0.294 1.00 0.27 O ATOM 1046 CB ALA A 67 -9.530 -6.143 -0.206 1.00 0.35 C ATOM 0 H ALA A 67 -8.047 -8.054 0.230 1.00 0.29 H new ATOM 0 HA ALA A 67 -10.125 -6.861 1.726 1.00 0.28 H new ATOM 0 HB1 ALA A 67 -10.356 -5.437 -0.295 1.00 0.35 H new ATOM 0 HB2 ALA A 67 -8.654 -5.629 0.190 1.00 0.35 H new ATOM 0 HB3 ALA A 67 -9.296 -6.554 -1.188 1.00 0.35 H new ATOM 1052 N SER A 68 -11.074 -9.179 -0.215 1.00 0.30 N ATOM 1053 CA SER A 68 -12.214 -9.976 -0.639 1.00 0.35 C ATOM 1054 C SER A 68 -12.964 -10.526 0.576 1.00 0.31 C ATOM 1055 O SER A 68 -14.138 -10.885 0.487 1.00 0.40 O ATOM 1056 CB SER A 68 -11.731 -11.130 -1.523 1.00 0.48 C ATOM 1057 OG SER A 68 -12.814 -11.906 -2.006 1.00 1.42 O ATOM 0 H SER A 68 -10.176 -9.654 -0.308 1.00 0.30 H new ATOM 0 HA SER A 68 -12.896 -9.344 -1.208 1.00 0.35 H new ATOM 0 HB2 SER A 68 -11.164 -10.732 -2.365 1.00 0.48 H new ATOM 0 HB3 SER A 68 -11.053 -11.766 -0.954 1.00 0.48 H new ATOM 0 HG SER A 68 -12.716 -12.832 -1.699 1.00 1.42 H new ATOM 1063 N SER A 69 -12.284 -10.574 1.715 1.00 0.28 N ATOM 1064 CA SER A 69 -12.867 -11.135 2.923 1.00 0.37 C ATOM 1065 C SER A 69 -13.003 -10.064 4.005 1.00 0.33 C ATOM 1066 O SER A 69 -13.733 -10.242 4.981 1.00 0.42 O ATOM 1067 CB SER A 69 -11.991 -12.287 3.431 1.00 0.50 C ATOM 1068 OG SER A 69 -12.666 -13.066 4.405 1.00 1.46 O ATOM 0 H SER A 69 -11.330 -10.231 1.825 1.00 0.28 H new ATOM 0 HA SER A 69 -13.862 -11.513 2.688 1.00 0.37 H new ATOM 0 HB2 SER A 69 -11.702 -12.922 2.593 1.00 0.50 H new ATOM 0 HB3 SER A 69 -11.072 -11.885 3.858 1.00 0.50 H new ATOM 0 HG SER A 69 -12.081 -13.792 4.706 1.00 1.46 H new ATOM 1074 N GLU A 70 -12.318 -8.944 3.818 1.00 0.28 N ATOM 1075 CA GLU A 70 -12.268 -7.906 4.831 1.00 0.35 C ATOM 1076 C GLU A 70 -13.515 -7.038 4.819 1.00 0.37 C ATOM 1077 O GLU A 70 -13.769 -6.295 3.866 1.00 0.37 O ATOM 1078 CB GLU A 70 -11.029 -7.039 4.650 1.00 0.42 C ATOM 1079 CG GLU A 70 -9.848 -7.498 5.483 1.00 0.78 C ATOM 1080 CD GLU A 70 -10.170 -7.516 6.965 1.00 0.58 C ATOM 1081 OE1 GLU A 70 -10.656 -8.554 7.460 1.00 1.03 O ATOM 1082 OE2 GLU A 70 -9.941 -6.490 7.640 1.00 1.26 O ATOM 0 H GLU A 70 -11.789 -8.734 2.971 1.00 0.28 H new ATOM 0 HA GLU A 70 -12.219 -8.405 5.799 1.00 0.35 H new ATOM 0 HB2 GLU A 70 -10.744 -7.039 3.598 1.00 0.42 H new ATOM 0 HB3 GLU A 70 -11.273 -6.010 4.914 1.00 0.42 H new ATOM 0 HG2 GLU A 70 -9.547 -8.496 5.165 1.00 0.78 H new ATOM 0 HG3 GLU A 70 -9.000 -6.837 5.304 1.00 0.78 H new ATOM 1089 N THR A 71 -14.291 -7.150 5.880 1.00 0.44 N ATOM 1090 CA THR A 71 -15.428 -6.283 6.093 1.00 0.48 C ATOM 1091 C THR A 71 -15.032 -5.163 7.040 1.00 0.58 C ATOM 1092 O THR A 71 -14.130 -5.333 7.860 1.00 0.85 O ATOM 1093 CB THR A 71 -16.619 -7.058 6.684 1.00 0.61 C ATOM 1094 OG1 THR A 71 -16.186 -7.833 7.812 1.00 0.76 O ATOM 1095 CG2 THR A 71 -17.245 -7.970 5.643 1.00 0.62 C ATOM 0 H THR A 71 -14.150 -7.843 6.615 1.00 0.44 H new ATOM 0 HA THR A 71 -15.734 -5.873 5.130 1.00 0.48 H new ATOM 0 HB THR A 71 -17.371 -6.337 7.005 1.00 0.61 H new ATOM 0 HG1 THR A 71 -16.949 -8.323 8.185 1.00 0.76 H new ATOM 0 HG21 THR A 71 -18.084 -8.506 6.086 1.00 0.62 H new ATOM 0 HG22 THR A 71 -17.599 -7.373 4.802 1.00 0.62 H new ATOM 0 HG23 THR A 71 -16.502 -8.686 5.292 1.00 0.62 H new ATOM 1103 N PHE A 72 -15.703 -4.033 6.945 1.00 0.51 N ATOM 1104 CA PHE A 72 -15.374 -2.898 7.786 1.00 0.59 C ATOM 1105 C PHE A 72 -16.640 -2.150 8.154 1.00 0.68 C ATOM 1106 O PHE A 72 -17.620 -2.161 7.398 1.00 0.64 O ATOM 1107 CB PHE A 72 -14.363 -1.965 7.097 1.00 0.58 C ATOM 1108 CG PHE A 72 -14.890 -1.256 5.881 1.00 0.54 C ATOM 1109 CD1 PHE A 72 -14.891 -1.877 4.643 1.00 0.43 C ATOM 1110 CD2 PHE A 72 -15.373 0.040 5.978 1.00 0.68 C ATOM 1111 CE1 PHE A 72 -15.365 -1.221 3.526 1.00 0.43 C ATOM 1112 CE2 PHE A 72 -15.850 0.699 4.865 1.00 0.67 C ATOM 1113 CZ PHE A 72 -15.847 0.068 3.638 1.00 0.52 C ATOM 0 H PHE A 72 -16.476 -3.875 6.298 1.00 0.51 H new ATOM 0 HA PHE A 72 -14.904 -3.267 8.698 1.00 0.59 H new ATOM 0 HB2 PHE A 72 -14.027 -1.220 7.818 1.00 0.58 H new ATOM 0 HB3 PHE A 72 -13.488 -2.548 6.810 1.00 0.58 H new ATOM 0 HD1 PHE A 72 -14.517 -2.886 4.551 1.00 0.43 H new ATOM 0 HD2 PHE A 72 -15.376 0.539 6.936 1.00 0.68 H new ATOM 0 HE1 PHE A 72 -15.359 -1.715 2.566 1.00 0.43 H new ATOM 0 HE2 PHE A 72 -16.225 1.708 4.953 1.00 0.67 H new ATOM 0 HZ PHE A 72 -16.222 0.582 2.765 1.00 0.52 H new ATOM 1123 N GLU A 73 -16.621 -1.527 9.320 1.00 0.83 N ATOM 1124 CA GLU A 73 -17.772 -0.805 9.827 1.00 0.94 C ATOM 1125 C GLU A 73 -17.810 0.606 9.255 1.00 0.99 C ATOM 1126 O GLU A 73 -16.920 1.423 9.509 1.00 1.09 O ATOM 1127 CB GLU A 73 -17.731 -0.746 11.354 1.00 1.14 C ATOM 1128 CG GLU A 73 -18.947 -0.073 11.966 1.00 1.27 C ATOM 1129 CD GLU A 73 -18.797 0.146 13.455 1.00 1.68 C ATOM 1130 OE1 GLU A 73 -18.193 1.165 13.852 1.00 2.03 O ATOM 1131 OE2 GLU A 73 -19.278 -0.698 14.238 1.00 1.96 O ATOM 0 H GLU A 73 -15.810 -1.508 9.939 1.00 0.83 H new ATOM 0 HA GLU A 73 -18.673 -1.334 9.517 1.00 0.94 H new ATOM 0 HB2 GLU A 73 -17.650 -1.759 11.747 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -16.834 -0.211 11.665 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -19.113 0.886 11.475 1.00 1.27 H new ATOM 0 HG3 GLU A 73 -19.830 -0.684 11.779 1.00 1.27 H new ATOM 1138 N HIS A 74 -18.837 0.883 8.477 1.00 0.97 N ATOM 1139 CA HIS A 74 -19.041 2.204 7.927 1.00 1.06 C ATOM 1140 C HIS A 74 -20.452 2.666 8.255 1.00 1.17 C ATOM 1141 O HIS A 74 -21.408 2.285 7.579 1.00 1.05 O ATOM 1142 CB HIS A 74 -18.809 2.198 6.412 1.00 1.04 C ATOM 1143 CG HIS A 74 -18.670 3.567 5.815 1.00 1.19 C ATOM 1144 ND1 HIS A 74 -17.527 4.308 5.990 1.00 1.99 N ATOM 1145 CD2 HIS A 74 -19.550 4.284 5.069 1.00 1.14 C ATOM 1146 CE1 HIS A 74 -17.732 5.451 5.356 1.00 1.92 C ATOM 1147 NE2 HIS A 74 -18.944 5.482 4.783 1.00 1.28 N ATOM 0 H HIS A 74 -19.548 0.202 8.211 1.00 0.97 H new ATOM 0 HA HIS A 74 -18.325 2.896 8.369 1.00 1.06 H new ATOM 0 HB2 HIS A 74 -17.909 1.624 6.194 1.00 1.04 H new ATOM 0 HB3 HIS A 74 -19.640 1.684 5.929 1.00 1.04 H new ATOM 0 HD2 HIS A 74 -20.537 3.972 4.760 1.00 1.14 H new ATOM 0 HE1 HIS A 74 -17.014 6.257 5.306 1.00 1.92 H new ATOM 0 HE2 HIS A 74 -19.340 6.249 4.239 1.00 1.28 H new ATOM 1155 N ASP A 75 -20.569 3.443 9.332 1.00 1.43 N ATOM 1156 CA ASP A 75 -21.854 3.977 9.791 1.00 1.59 C ATOM 1157 C ASP A 75 -22.736 2.869 10.356 1.00 1.49 C ATOM 1158 O ASP A 75 -23.945 2.831 10.121 1.00 1.50 O ATOM 1159 CB ASP A 75 -22.583 4.727 8.668 1.00 1.65 C ATOM 1160 CG ASP A 75 -22.019 6.111 8.428 1.00 2.03 C ATOM 1161 OD1 ASP A 75 -20.855 6.227 7.993 1.00 2.27 O ATOM 1162 OD2 ASP A 75 -22.745 7.096 8.673 1.00 2.67 O ATOM 0 H ASP A 75 -19.777 3.721 9.911 1.00 1.43 H new ATOM 0 HA ASP A 75 -21.645 4.690 10.589 1.00 1.59 H new ATOM 0 HB2 ASP A 75 -22.517 4.148 7.747 1.00 1.65 H new ATOM 0 HB3 ASP A 75 -23.641 4.809 8.918 1.00 1.65 H new ATOM 1167 N GLY A 76 -22.115 1.964 11.103 1.00 1.43 N ATOM 1168 CA GLY A 76 -22.850 0.894 11.750 1.00 1.41 C ATOM 1169 C GLY A 76 -23.177 -0.249 10.809 1.00 1.19 C ATOM 1170 O GLY A 76 -23.920 -1.163 11.166 1.00 1.18 O ATOM 0 H GLY A 76 -21.109 1.953 11.273 1.00 1.43 H new ATOM 0 HA2 GLY A 76 -22.265 0.513 12.587 1.00 1.41 H new ATOM 0 HA3 GLY A 76 -23.776 1.294 12.163 1.00 1.41 H new ATOM 1174 N LYS A 77 -22.620 -0.205 9.609 1.00 1.06 N ATOM 1175 CA LYS A 77 -22.869 -1.233 8.611 1.00 0.89 C ATOM 1176 C LYS A 77 -21.552 -1.809 8.126 1.00 0.77 C ATOM 1177 O LYS A 77 -20.600 -1.068 7.888 1.00 0.74 O ATOM 1178 CB LYS A 77 -23.648 -0.656 7.426 1.00 0.87 C ATOM 1179 CG LYS A 77 -25.020 -0.115 7.793 1.00 1.06 C ATOM 1180 CD LYS A 77 -25.898 -1.194 8.403 1.00 1.13 C ATOM 1181 CE LYS A 77 -27.299 -0.682 8.684 1.00 1.40 C ATOM 1182 NZ LYS A 77 -28.141 -1.715 9.340 1.00 2.19 N ATOM 0 H LYS A 77 -21.989 0.536 9.302 1.00 1.06 H new ATOM 0 HA LYS A 77 -23.464 -2.023 9.068 1.00 0.89 H new ATOM 0 HB2 LYS A 77 -23.062 0.144 6.974 1.00 0.87 H new ATOM 0 HB3 LYS A 77 -23.765 -1.432 6.669 1.00 0.87 H new ATOM 0 HG2 LYS A 77 -24.911 0.709 8.498 1.00 1.06 H new ATOM 0 HG3 LYS A 77 -25.503 0.289 6.903 1.00 1.06 H new ATOM 0 HD2 LYS A 77 -25.951 -2.047 7.726 1.00 1.13 H new ATOM 0 HD3 LYS A 77 -25.447 -1.550 9.330 1.00 1.13 H new ATOM 0 HE2 LYS A 77 -27.243 0.200 9.322 1.00 1.40 H new ATOM 0 HE3 LYS A 77 -27.767 -0.371 7.750 1.00 1.40 H new ATOM 0 HZ1 LYS A 77 -29.090 -1.329 9.516 1.00 2.19 H new ATOM 0 HZ2 LYS A 77 -28.215 -2.547 8.721 1.00 2.19 H new ATOM 0 HZ3 LYS A 77 -27.708 -1.994 10.243 1.00 2.19 H new ATOM 1196 N LYS A 78 -21.486 -3.120 8.004 1.00 0.76 N ATOM 1197 CA LYS A 78 -20.282 -3.765 7.521 1.00 0.71 C ATOM 1198 C LYS A 78 -20.436 -4.179 6.070 1.00 0.61 C ATOM 1199 O LYS A 78 -21.397 -4.855 5.702 1.00 0.70 O ATOM 1200 CB LYS A 78 -19.929 -4.985 8.367 1.00 0.88 C ATOM 1201 CG LYS A 78 -19.515 -4.645 9.786 1.00 1.05 C ATOM 1202 CD LYS A 78 -19.158 -5.899 10.568 1.00 1.31 C ATOM 1203 CE LYS A 78 -18.642 -5.566 11.956 1.00 1.47 C ATOM 1204 NZ LYS A 78 -18.263 -6.789 12.711 1.00 1.55 N ATOM 0 H LYS A 78 -22.249 -3.757 8.232 1.00 0.76 H new ATOM 0 HA LYS A 78 -19.472 -3.040 7.601 1.00 0.71 H new ATOM 0 HB2 LYS A 78 -20.789 -5.654 8.399 1.00 0.88 H new ATOM 0 HB3 LYS A 78 -19.119 -5.530 7.882 1.00 0.88 H new ATOM 0 HG2 LYS A 78 -18.660 -3.969 9.767 1.00 1.05 H new ATOM 0 HG3 LYS A 78 -20.326 -4.118 10.288 1.00 1.05 H new ATOM 0 HD2 LYS A 78 -20.036 -6.539 10.650 1.00 1.31 H new ATOM 0 HD3 LYS A 78 -18.401 -6.464 10.024 1.00 1.31 H new ATOM 0 HE2 LYS A 78 -17.778 -4.907 11.874 1.00 1.47 H new ATOM 0 HE3 LYS A 78 -19.408 -5.021 12.508 1.00 1.47 H new ATOM 0 HZ1 LYS A 78 -17.915 -6.521 13.654 1.00 1.55 H new ATOM 0 HZ2 LYS A 78 -19.094 -7.407 12.811 1.00 1.55 H new ATOM 0 HZ3 LYS A 78 -17.514 -7.296 12.197 1.00 1.55 H new ATOM 1218 N VAL A 79 -19.486 -3.768 5.252 1.00 0.51 N ATOM 1219 CA VAL A 79 -19.436 -4.184 3.860 1.00 0.42 C ATOM 1220 C VAL A 79 -18.030 -4.676 3.546 1.00 0.37 C ATOM 1221 O VAL A 79 -17.125 -4.512 4.365 1.00 0.38 O ATOM 1222 CB VAL A 79 -19.813 -3.037 2.890 1.00 0.35 C ATOM 1223 CG1 VAL A 79 -21.247 -2.582 3.109 1.00 0.41 C ATOM 1224 CG2 VAL A 79 -18.859 -1.864 3.032 1.00 0.34 C ATOM 0 H VAL A 79 -18.731 -3.141 5.529 1.00 0.51 H new ATOM 0 HA VAL A 79 -20.167 -4.980 3.719 1.00 0.42 H new ATOM 0 HB VAL A 79 -19.729 -3.426 1.875 1.00 0.35 H new ATOM 0 HG11 VAL A 79 -21.483 -1.776 2.414 1.00 0.41 H new ATOM 0 HG12 VAL A 79 -21.924 -3.419 2.938 1.00 0.41 H new ATOM 0 HG13 VAL A 79 -21.363 -2.224 4.132 1.00 0.41 H new ATOM 0 HG21 VAL A 79 -19.148 -1.074 2.339 1.00 0.34 H new ATOM 0 HG22 VAL A 79 -18.899 -1.484 4.053 1.00 0.34 H new ATOM 0 HG23 VAL A 79 -17.844 -2.191 2.806 1.00 0.34 H new ATOM 1234 N THR A 80 -17.837 -5.260 2.375 1.00 0.34 N ATOM 1235 CA THR A 80 -16.534 -5.787 2.007 1.00 0.30 C ATOM 1236 C THR A 80 -15.878 -4.834 1.018 1.00 0.23 C ATOM 1237 O THR A 80 -16.542 -4.297 0.137 1.00 0.21 O ATOM 1238 CB THR A 80 -16.672 -7.173 1.363 1.00 0.34 C ATOM 1239 OG1 THR A 80 -17.678 -7.933 2.046 1.00 0.67 O ATOM 1240 CG2 THR A 80 -15.354 -7.929 1.410 1.00 0.65 C ATOM 0 H THR A 80 -18.561 -5.381 1.667 1.00 0.34 H new ATOM 0 HA THR A 80 -15.923 -5.881 2.905 1.00 0.30 H new ATOM 0 HB THR A 80 -16.959 -7.033 0.321 1.00 0.34 H new ATOM 0 HG1 THR A 80 -17.761 -8.815 1.628 1.00 0.67 H new ATOM 0 HG21 THR A 80 -15.479 -8.908 0.947 1.00 0.65 H new ATOM 0 HG22 THR A 80 -14.593 -7.367 0.869 1.00 0.65 H new ATOM 0 HG23 THR A 80 -15.044 -8.055 2.447 1.00 0.65 H new ATOM 1248 N ILE A 81 -14.565 -4.657 1.160 1.00 0.24 N ATOM 1249 CA ILE A 81 -13.819 -3.654 0.393 1.00 0.23 C ATOM 1250 C ILE A 81 -13.876 -3.920 -1.112 1.00 0.20 C ATOM 1251 O ILE A 81 -13.861 -2.984 -1.913 1.00 0.22 O ATOM 1252 CB ILE A 81 -12.346 -3.589 0.863 1.00 0.28 C ATOM 1253 CG1 ILE A 81 -12.277 -3.125 2.317 1.00 0.37 C ATOM 1254 CG2 ILE A 81 -11.521 -2.662 -0.017 1.00 0.32 C ATOM 1255 CD1 ILE A 81 -10.916 -3.311 2.949 1.00 0.71 C ATOM 0 H ILE A 81 -13.990 -5.199 1.804 1.00 0.24 H new ATOM 0 HA ILE A 81 -14.297 -2.692 0.578 1.00 0.23 H new ATOM 0 HB ILE A 81 -11.926 -4.592 0.783 1.00 0.28 H new ATOM 0 HG12 ILE A 81 -12.550 -2.071 2.366 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -13.017 -3.674 2.900 1.00 0.37 H new ATOM 0 HG21 ILE A 81 -10.492 -2.640 0.342 1.00 0.32 H new ATOM 0 HG22 ILE A 81 -11.539 -3.024 -1.045 1.00 0.32 H new ATOM 0 HG23 ILE A 81 -11.940 -1.656 0.021 1.00 0.32 H new ATOM 0 HD11 ILE A 81 -10.943 -2.960 3.981 1.00 0.71 H new ATOM 0 HD12 ILE A 81 -10.648 -4.368 2.932 1.00 0.71 H new ATOM 0 HD13 ILE A 81 -10.174 -2.740 2.390 1.00 0.71 H new ATOM 1267 N ALA A 82 -13.948 -5.190 -1.493 1.00 0.17 N ATOM 1268 CA ALA A 82 -14.051 -5.558 -2.901 1.00 0.17 C ATOM 1269 C ALA A 82 -15.326 -4.991 -3.529 1.00 0.18 C ATOM 1270 O ALA A 82 -15.281 -4.352 -4.581 1.00 0.21 O ATOM 1271 CB ALA A 82 -14.004 -7.070 -3.060 1.00 0.17 C ATOM 0 H ALA A 82 -13.937 -5.981 -0.849 1.00 0.17 H new ATOM 0 HA ALA A 82 -13.199 -5.126 -3.425 1.00 0.17 H new ATOM 0 HB1 ALA A 82 -14.082 -7.327 -4.116 1.00 0.17 H new ATOM 0 HB2 ALA A 82 -13.062 -7.449 -2.663 1.00 0.17 H new ATOM 0 HB3 ALA A 82 -14.834 -7.519 -2.515 1.00 0.17 H new ATOM 1277 N SER A 83 -16.458 -5.211 -2.867 1.00 0.18 N ATOM 1278 CA SER A 83 -17.742 -4.712 -3.347 1.00 0.20 C ATOM 1279 C SER A 83 -17.818 -3.200 -3.149 1.00 0.21 C ATOM 1280 O SER A 83 -18.428 -2.474 -3.936 1.00 0.25 O ATOM 1281 CB SER A 83 -18.870 -5.393 -2.573 1.00 0.23 C ATOM 1282 OG SER A 83 -18.579 -6.765 -2.358 1.00 1.11 O ATOM 0 H SER A 83 -16.512 -5.734 -1.993 1.00 0.18 H new ATOM 0 HA SER A 83 -17.844 -4.935 -4.409 1.00 0.20 H new ATOM 0 HB2 SER A 83 -19.013 -4.893 -1.615 1.00 0.23 H new ATOM 0 HB3 SER A 83 -19.805 -5.297 -3.125 1.00 0.23 H new ATOM 0 HG SER A 83 -19.313 -7.181 -1.860 1.00 1.11 H new ATOM 1288 N TYR A 84 -17.167 -2.756 -2.088 1.00 0.21 N ATOM 1289 CA TYR A 84 -17.134 -1.360 -1.678 1.00 0.24 C ATOM 1290 C TYR A 84 -16.530 -0.466 -2.761 1.00 0.25 C ATOM 1291 O TYR A 84 -17.101 0.568 -3.107 1.00 0.30 O ATOM 1292 CB TYR A 84 -16.346 -1.297 -0.366 1.00 0.25 C ATOM 1293 CG TYR A 84 -15.824 0.052 0.051 1.00 0.28 C ATOM 1294 CD1 TYR A 84 -16.676 1.090 0.398 1.00 0.31 C ATOM 1295 CD2 TYR A 84 -14.457 0.261 0.144 1.00 0.31 C ATOM 1296 CE1 TYR A 84 -16.175 2.305 0.827 1.00 0.38 C ATOM 1297 CE2 TYR A 84 -13.947 1.465 0.563 1.00 0.37 C ATOM 1298 CZ TYR A 84 -14.808 2.487 0.908 1.00 0.39 C ATOM 1299 OH TYR A 84 -14.302 3.689 1.342 1.00 0.49 O ATOM 0 H TYR A 84 -16.634 -3.370 -1.472 1.00 0.21 H new ATOM 0 HA TYR A 84 -18.144 -0.980 -1.526 1.00 0.24 H new ATOM 0 HB2 TYR A 84 -16.985 -1.675 0.432 1.00 0.25 H new ATOM 0 HB3 TYR A 84 -15.499 -1.979 -0.446 1.00 0.25 H new ATOM 0 HD1 TYR A 84 -17.745 0.947 0.332 1.00 0.31 H new ATOM 0 HD2 TYR A 84 -13.780 -0.539 -0.118 1.00 0.31 H new ATOM 0 HE1 TYR A 84 -16.847 3.106 1.097 1.00 0.38 H new ATOM 0 HE2 TYR A 84 -12.879 1.611 0.622 1.00 0.37 H new ATOM 0 HH TYR A 84 -13.323 3.651 1.341 1.00 0.49 H new ATOM 1309 N PHE A 85 -15.392 -0.869 -3.308 1.00 0.22 N ATOM 1310 CA PHE A 85 -14.774 -0.116 -4.392 1.00 0.23 C ATOM 1311 C PHE A 85 -15.523 -0.322 -5.702 1.00 0.25 C ATOM 1312 O PHE A 85 -15.669 0.608 -6.495 1.00 0.28 O ATOM 1313 CB PHE A 85 -13.309 -0.509 -4.569 1.00 0.22 C ATOM 1314 CG PHE A 85 -12.376 0.208 -3.638 1.00 0.25 C ATOM 1315 CD1 PHE A 85 -12.179 1.573 -3.759 1.00 0.48 C ATOM 1316 CD2 PHE A 85 -11.687 -0.479 -2.652 1.00 0.35 C ATOM 1317 CE1 PHE A 85 -11.312 2.237 -2.915 1.00 0.54 C ATOM 1318 CE2 PHE A 85 -10.819 0.184 -1.805 1.00 0.39 C ATOM 1319 CZ PHE A 85 -10.635 1.541 -1.937 1.00 0.39 C ATOM 0 H PHE A 85 -14.881 -1.705 -3.023 1.00 0.22 H new ATOM 0 HA PHE A 85 -14.824 0.939 -4.123 1.00 0.23 H new ATOM 0 HB2 PHE A 85 -13.209 -1.583 -4.414 1.00 0.22 H new ATOM 0 HB3 PHE A 85 -13.009 -0.306 -5.597 1.00 0.22 H new ATOM 0 HD1 PHE A 85 -12.709 2.124 -4.522 1.00 0.48 H new ATOM 0 HD2 PHE A 85 -11.830 -1.544 -2.544 1.00 0.35 H new ATOM 0 HE1 PHE A 85 -11.164 3.302 -3.021 1.00 0.54 H new ATOM 0 HE2 PHE A 85 -10.286 -0.362 -1.041 1.00 0.39 H new ATOM 0 HZ PHE A 85 -9.960 2.061 -1.274 1.00 0.39 H new ATOM 1329 N HIS A 86 -16.012 -1.539 -5.914 1.00 0.24 N ATOM 1330 CA HIS A 86 -16.674 -1.895 -7.165 1.00 0.29 C ATOM 1331 C HIS A 86 -17.933 -1.052 -7.377 1.00 0.31 C ATOM 1332 O HIS A 86 -18.208 -0.595 -8.489 1.00 0.36 O ATOM 1333 CB HIS A 86 -17.027 -3.385 -7.165 1.00 0.31 C ATOM 1334 CG HIS A 86 -16.966 -4.025 -8.520 1.00 0.61 C ATOM 1335 ND1 HIS A 86 -15.942 -4.878 -8.858 1.00 1.62 N ATOM 1336 CD2 HIS A 86 -17.815 -3.916 -9.571 1.00 0.88 C ATOM 1337 CE1 HIS A 86 -16.187 -5.268 -10.098 1.00 1.76 C ATOM 1338 NE2 HIS A 86 -17.311 -4.711 -10.571 1.00 1.19 N ATOM 0 H HIS A 86 -15.962 -2.298 -5.234 1.00 0.24 H new ATOM 0 HA HIS A 86 -15.988 -1.691 -7.987 1.00 0.29 H new ATOM 0 HB2 HIS A 86 -16.345 -3.910 -6.495 1.00 0.31 H new ATOM 0 HB3 HIS A 86 -18.031 -3.510 -6.760 1.00 0.31 H new ATOM 0 HD2 HIS A 86 -18.714 -3.319 -9.614 1.00 0.88 H new ATOM 0 HE1 HIS A 86 -15.562 -5.948 -10.658 1.00 1.76 H new ATOM 0 HE2 HIS A 86 -17.715 -4.851 -11.497 1.00 1.19 H new ATOM 1346 N SER A 87 -18.689 -0.835 -6.304 1.00 0.33 N ATOM 1347 CA SER A 87 -19.898 -0.019 -6.369 1.00 0.37 C ATOM 1348 C SER A 87 -19.529 1.465 -6.417 1.00 0.36 C ATOM 1349 O SER A 87 -20.299 2.300 -6.896 1.00 0.44 O ATOM 1350 CB SER A 87 -20.795 -0.307 -5.159 1.00 0.44 C ATOM 1351 OG SER A 87 -22.035 0.372 -5.254 1.00 1.34 O ATOM 0 H SER A 87 -18.486 -1.213 -5.379 1.00 0.33 H new ATOM 0 HA SER A 87 -20.446 -0.272 -7.277 1.00 0.37 H new ATOM 0 HB2 SER A 87 -20.972 -1.380 -5.084 1.00 0.44 H new ATOM 0 HB3 SER A 87 -20.283 -0.004 -4.246 1.00 0.44 H new ATOM 0 HG SER A 87 -22.582 0.165 -4.468 1.00 1.34 H new ATOM 1357 N ARG A 88 -18.337 1.775 -5.923 1.00 0.32 N ATOM 1358 CA ARG A 88 -17.827 3.142 -5.923 1.00 0.36 C ATOM 1359 C ARG A 88 -17.215 3.489 -7.286 1.00 0.38 C ATOM 1360 O ARG A 88 -16.478 4.466 -7.422 1.00 0.47 O ATOM 1361 CB ARG A 88 -16.795 3.329 -4.806 1.00 0.44 C ATOM 1362 CG ARG A 88 -16.621 4.777 -4.361 1.00 0.83 C ATOM 1363 CD ARG A 88 -17.781 5.259 -3.495 1.00 1.10 C ATOM 1364 NE ARG A 88 -19.041 5.366 -4.236 1.00 1.79 N ATOM 1365 CZ ARG A 88 -20.245 5.140 -3.699 1.00 2.33 C ATOM 1366 NH1 ARG A 88 -20.357 4.849 -2.408 1.00 2.20 N ATOM 1367 NH2 ARG A 88 -21.338 5.226 -4.447 1.00 3.30 N ATOM 0 H ARG A 88 -17.700 1.092 -5.514 1.00 0.32 H new ATOM 0 HA ARG A 88 -18.660 3.820 -5.739 1.00 0.36 H new ATOM 0 HB2 ARG A 88 -17.092 2.728 -3.946 1.00 0.44 H new ATOM 0 HB3 ARG A 88 -15.833 2.946 -5.146 1.00 0.44 H new ATOM 0 HG2 ARG A 88 -15.689 4.874 -3.804 1.00 0.83 H new ATOM 0 HG3 ARG A 88 -16.535 5.417 -5.239 1.00 0.83 H new ATOM 0 HD2 ARG A 88 -17.914 4.572 -2.660 1.00 1.10 H new ATOM 0 HD3 ARG A 88 -17.531 6.232 -3.071 1.00 1.10 H new ATOM 0 HE ARG A 88 -18.997 5.629 -5.221 1.00 1.79 H new ATOM 0 HH11 ARG A 88 -19.523 4.797 -1.823 1.00 2.20 H new ATOM 0 HH12 ARG A 88 -21.277 4.677 -2.002 1.00 2.20 H new ATOM 0 HH21 ARG A 88 -21.262 5.465 -5.436 1.00 3.30 H new ATOM 0 HH22 ARG A 88 -22.254 5.053 -4.033 1.00 3.30 H new ATOM 1381 N ASN A 89 -17.516 2.652 -8.280 1.00 0.37 N ATOM 1382 CA ASN A 89 -17.098 2.866 -9.668 1.00 0.44 C ATOM 1383 C ASN A 89 -15.598 2.668 -9.841 1.00 0.48 C ATOM 1384 O ASN A 89 -14.983 3.246 -10.738 1.00 0.66 O ATOM 1385 CB ASN A 89 -17.509 4.255 -10.178 1.00 0.51 C ATOM 1386 CG ASN A 89 -19.013 4.423 -10.290 1.00 1.01 C ATOM 1387 OD1 ASN A 89 -19.618 4.064 -11.303 1.00 1.58 O ATOM 1388 ND2 ASN A 89 -19.626 4.990 -9.259 1.00 1.87 N ATOM 0 H ASN A 89 -18.061 1.800 -8.144 1.00 0.37 H new ATOM 0 HA ASN A 89 -17.614 2.116 -10.267 1.00 0.44 H new ATOM 0 HB2 ASN A 89 -17.113 5.015 -9.505 1.00 0.51 H new ATOM 0 HB3 ASN A 89 -17.056 4.427 -11.154 1.00 0.51 H new ATOM 0 HD21 ASN A 89 -20.634 5.143 -9.286 1.00 1.87 H new ATOM 0 HD22 ASN A 89 -19.089 5.273 -8.439 1.00 1.87 H new ATOM 1395 N TYR A 90 -15.012 1.852 -8.983 1.00 0.36 N ATOM 1396 CA TYR A 90 -13.617 1.480 -9.133 1.00 0.36 C ATOM 1397 C TYR A 90 -13.484 -0.034 -9.069 1.00 0.33 C ATOM 1398 O TYR A 90 -13.299 -0.603 -7.994 1.00 0.30 O ATOM 1399 CB TYR A 90 -12.746 2.132 -8.053 1.00 0.37 C ATOM 1400 CG TYR A 90 -11.256 1.984 -8.307 1.00 0.42 C ATOM 1401 CD1 TYR A 90 -10.577 2.906 -9.094 1.00 0.57 C ATOM 1402 CD2 TYR A 90 -10.532 0.922 -7.773 1.00 0.42 C ATOM 1403 CE1 TYR A 90 -9.224 2.779 -9.339 1.00 0.66 C ATOM 1404 CE2 TYR A 90 -9.175 0.788 -8.015 1.00 0.51 C ATOM 1405 CZ TYR A 90 -8.527 1.721 -8.797 1.00 0.61 C ATOM 1406 OH TYR A 90 -7.173 1.609 -9.029 1.00 0.73 O ATOM 0 H TYR A 90 -15.479 1.435 -8.177 1.00 0.36 H new ATOM 0 HA TYR A 90 -13.269 1.838 -10.102 1.00 0.36 H new ATOM 0 HB2 TYR A 90 -12.992 3.192 -7.989 1.00 0.37 H new ATOM 0 HB3 TYR A 90 -12.988 1.690 -7.086 1.00 0.37 H new ATOM 0 HD1 TYR A 90 -11.117 3.737 -9.522 1.00 0.57 H new ATOM 0 HD2 TYR A 90 -11.037 0.190 -7.160 1.00 0.42 H new ATOM 0 HE1 TYR A 90 -8.714 3.506 -9.953 1.00 0.66 H new ATOM 0 HE2 TYR A 90 -8.627 -0.042 -7.594 1.00 0.51 H new ATOM 0 HH TYR A 90 -6.786 2.502 -9.145 1.00 0.73 H new ATOM 1416 N PRO A 91 -13.610 -0.714 -10.216 1.00 0.38 N ATOM 1417 CA PRO A 91 -13.414 -2.157 -10.282 1.00 0.38 C ATOM 1418 C PRO A 91 -11.979 -2.519 -9.932 1.00 0.36 C ATOM 1419 O PRO A 91 -11.036 -2.101 -10.611 1.00 0.45 O ATOM 1420 CB PRO A 91 -13.735 -2.515 -11.737 1.00 0.45 C ATOM 1421 CG PRO A 91 -13.599 -1.239 -12.493 1.00 0.50 C ATOM 1422 CD PRO A 91 -13.944 -0.138 -11.528 1.00 0.47 C ATOM 0 HA PRO A 91 -14.042 -2.700 -9.576 1.00 0.38 H new ATOM 0 HB2 PRO A 91 -13.049 -3.272 -12.117 1.00 0.45 H new ATOM 0 HB3 PRO A 91 -14.742 -2.922 -11.829 1.00 0.45 H new ATOM 0 HG2 PRO A 91 -12.585 -1.119 -12.874 1.00 0.50 H new ATOM 0 HG3 PRO A 91 -14.267 -1.224 -13.355 1.00 0.50 H new ATOM 0 HD2 PRO A 91 -13.368 0.766 -11.728 1.00 0.47 H new ATOM 0 HD3 PRO A 91 -14.997 0.135 -11.590 1.00 0.47 H new ATOM 1430 N LEU A 92 -11.814 -3.276 -8.864 1.00 0.32 N ATOM 1431 CA LEU A 92 -10.491 -3.602 -8.368 1.00 0.32 C ATOM 1432 C LEU A 92 -9.821 -4.633 -9.256 1.00 0.30 C ATOM 1433 O LEU A 92 -10.447 -5.597 -9.707 1.00 0.30 O ATOM 1434 CB LEU A 92 -10.565 -4.126 -6.935 1.00 0.34 C ATOM 1435 CG LEU A 92 -10.993 -3.103 -5.884 1.00 0.33 C ATOM 1436 CD1 LEU A 92 -11.206 -3.778 -4.538 1.00 0.39 C ATOM 1437 CD2 LEU A 92 -9.953 -2.003 -5.765 1.00 0.32 C ATOM 0 H LEU A 92 -12.580 -3.677 -8.323 1.00 0.32 H new ATOM 0 HA LEU A 92 -9.897 -2.688 -8.380 1.00 0.32 H new ATOM 0 HB2 LEU A 92 -11.263 -4.963 -6.908 1.00 0.34 H new ATOM 0 HB3 LEU A 92 -9.586 -4.518 -6.659 1.00 0.34 H new ATOM 0 HG LEU A 92 -11.937 -2.658 -6.199 1.00 0.33 H new ATOM 0 HD11 LEU A 92 -11.510 -3.034 -3.802 1.00 0.39 H new ATOM 0 HD12 LEU A 92 -11.983 -4.536 -4.630 1.00 0.39 H new ATOM 0 HD13 LEU A 92 -10.277 -4.248 -4.216 1.00 0.39 H new ATOM 0 HD21 LEU A 92 -10.271 -1.281 -5.013 1.00 0.32 H new ATOM 0 HD22 LEU A 92 -8.997 -2.436 -5.471 1.00 0.32 H new ATOM 0 HD23 LEU A 92 -9.843 -1.501 -6.726 1.00 0.32 H new ATOM 1449 N LYS A 93 -8.555 -4.400 -9.527 1.00 0.30 N ATOM 1450 CA LYS A 93 -7.742 -5.345 -10.256 1.00 0.30 C ATOM 1451 C LYS A 93 -7.066 -6.313 -9.303 1.00 0.31 C ATOM 1452 O LYS A 93 -6.616 -7.386 -9.705 1.00 0.36 O ATOM 1453 CB LYS A 93 -6.729 -4.616 -11.120 1.00 0.38 C ATOM 1454 CG LYS A 93 -7.396 -3.691 -12.115 1.00 0.53 C ATOM 1455 CD LYS A 93 -6.448 -3.252 -13.214 1.00 0.84 C ATOM 1456 CE LYS A 93 -5.310 -2.407 -12.668 1.00 1.06 C ATOM 1457 NZ LYS A 93 -4.526 -1.771 -13.760 1.00 1.55 N ATOM 0 H LYS A 93 -8.062 -3.551 -9.248 1.00 0.30 H new ATOM 0 HA LYS A 93 -8.386 -5.926 -10.916 1.00 0.30 H new ATOM 0 HB2 LYS A 93 -6.057 -4.040 -10.484 1.00 0.38 H new ATOM 0 HB3 LYS A 93 -6.117 -5.343 -11.654 1.00 0.38 H new ATOM 0 HG2 LYS A 93 -8.255 -4.195 -12.558 1.00 0.53 H new ATOM 0 HG3 LYS A 93 -7.776 -2.813 -11.593 1.00 0.53 H new ATOM 0 HD2 LYS A 93 -6.041 -4.130 -13.716 1.00 0.84 H new ATOM 0 HD3 LYS A 93 -6.998 -2.682 -13.963 1.00 0.84 H new ATOM 0 HE2 LYS A 93 -5.712 -1.635 -12.011 1.00 1.06 H new ATOM 0 HE3 LYS A 93 -4.652 -3.030 -12.062 1.00 1.06 H new ATOM 0 HZ1 LYS A 93 -3.758 -1.202 -13.350 1.00 1.55 H new ATOM 0 HZ2 LYS A 93 -4.122 -2.508 -14.372 1.00 1.55 H new ATOM 0 HZ3 LYS A 93 -5.149 -1.157 -14.323 1.00 1.55 H new ATOM 1471 N PHE A 94 -6.996 -5.927 -8.034 1.00 0.35 N ATOM 1472 CA PHE A 94 -6.446 -6.793 -6.997 1.00 0.44 C ATOM 1473 C PHE A 94 -7.425 -6.930 -5.817 1.00 0.44 C ATOM 1474 O PHE A 94 -7.053 -6.685 -4.667 1.00 0.48 O ATOM 1475 CB PHE A 94 -5.106 -6.231 -6.505 1.00 0.58 C ATOM 1476 CG PHE A 94 -4.109 -5.985 -7.605 1.00 0.58 C ATOM 1477 CD1 PHE A 94 -4.067 -4.764 -8.258 1.00 0.57 C ATOM 1478 CD2 PHE A 94 -3.212 -6.969 -7.982 1.00 0.70 C ATOM 1479 CE1 PHE A 94 -3.153 -4.530 -9.264 1.00 0.61 C ATOM 1480 CE2 PHE A 94 -2.295 -6.740 -8.989 1.00 0.77 C ATOM 1481 CZ PHE A 94 -2.265 -5.520 -9.630 1.00 0.70 C ATOM 0 H PHE A 94 -7.314 -5.018 -7.698 1.00 0.35 H new ATOM 0 HA PHE A 94 -6.287 -7.783 -7.425 1.00 0.44 H new ATOM 0 HB2 PHE A 94 -5.287 -5.295 -5.976 1.00 0.58 H new ATOM 0 HB3 PHE A 94 -4.674 -6.926 -5.785 1.00 0.58 H new ATOM 0 HD1 PHE A 94 -4.759 -3.985 -7.976 1.00 0.57 H new ATOM 0 HD2 PHE A 94 -3.229 -7.927 -7.483 1.00 0.70 H new ATOM 0 HE1 PHE A 94 -3.133 -3.573 -9.764 1.00 0.61 H new ATOM 0 HE2 PHE A 94 -1.601 -7.517 -9.274 1.00 0.77 H new ATOM 0 HZ PHE A 94 -1.548 -5.340 -10.417 1.00 0.70 H new ATOM 1491 N PRO A 95 -8.695 -7.332 -6.075 1.00 0.45 N ATOM 1492 CA PRO A 95 -9.713 -7.443 -5.026 1.00 0.52 C ATOM 1493 C PRO A 95 -9.474 -8.637 -4.115 1.00 0.51 C ATOM 1494 O PRO A 95 -9.818 -8.619 -2.935 1.00 0.55 O ATOM 1495 CB PRO A 95 -11.034 -7.635 -5.788 1.00 0.66 C ATOM 1496 CG PRO A 95 -10.708 -7.546 -7.242 1.00 0.57 C ATOM 1497 CD PRO A 95 -9.227 -7.761 -7.377 1.00 0.45 C ATOM 0 HA PRO A 95 -9.705 -6.564 -4.381 1.00 0.52 H new ATOM 0 HB2 PRO A 95 -11.481 -8.600 -5.550 1.00 0.66 H new ATOM 0 HB3 PRO A 95 -11.758 -6.870 -5.506 1.00 0.66 H new ATOM 0 HG2 PRO A 95 -11.259 -8.298 -7.807 1.00 0.57 H new ATOM 0 HG3 PRO A 95 -10.994 -6.573 -7.642 1.00 0.57 H new ATOM 0 HD2 PRO A 95 -8.991 -8.805 -7.582 1.00 0.45 H new ATOM 0 HD3 PRO A 95 -8.809 -7.173 -8.194 1.00 0.45 H new ATOM 1505 N GLN A 96 -8.872 -9.673 -4.675 1.00 0.56 N ATOM 1506 CA GLN A 96 -8.724 -10.942 -3.983 1.00 0.70 C ATOM 1507 C GLN A 96 -7.409 -10.996 -3.219 1.00 0.75 C ATOM 1508 O GLN A 96 -6.924 -12.071 -2.879 1.00 0.96 O ATOM 1509 CB GLN A 96 -8.791 -12.088 -4.995 1.00 0.83 C ATOM 1510 CG GLN A 96 -10.030 -12.044 -5.877 1.00 0.93 C ATOM 1511 CD GLN A 96 -11.310 -12.329 -5.119 1.00 1.70 C ATOM 1512 OE1 GLN A 96 -12.371 -11.805 -5.458 1.00 2.40 O ATOM 1513 NE2 GLN A 96 -11.228 -13.184 -4.113 1.00 2.31 N ATOM 0 H GLN A 96 -8.475 -9.659 -5.614 1.00 0.56 H new ATOM 0 HA GLN A 96 -9.537 -11.043 -3.264 1.00 0.70 H new ATOM 0 HB2 GLN A 96 -7.903 -12.057 -5.627 1.00 0.83 H new ATOM 0 HB3 GLN A 96 -8.769 -13.037 -4.460 1.00 0.83 H new ATOM 0 HG2 GLN A 96 -10.102 -11.061 -6.343 1.00 0.93 H new ATOM 0 HG3 GLN A 96 -9.922 -12.771 -6.682 1.00 0.93 H new ATOM 0 HE21 GLN A 96 -10.328 -13.595 -3.865 1.00 2.31 H new ATOM 0 HE22 GLN A 96 -12.065 -13.432 -3.585 1.00 2.31 H new ATOM 1522 N LEU A 97 -6.838 -9.831 -2.953 1.00 0.67 N ATOM 1523 CA LEU A 97 -5.557 -9.752 -2.274 1.00 0.81 C ATOM 1524 C LEU A 97 -5.666 -8.878 -1.032 1.00 0.61 C ATOM 1525 O LEU A 97 -6.675 -8.196 -0.831 1.00 0.55 O ATOM 1526 CB LEU A 97 -4.494 -9.211 -3.232 1.00 1.09 C ATOM 1527 CG LEU A 97 -4.277 -10.061 -4.487 1.00 1.70 C ATOM 1528 CD1 LEU A 97 -3.326 -9.372 -5.448 1.00 2.43 C ATOM 1529 CD2 LEU A 97 -3.752 -11.440 -4.115 1.00 2.44 C ATOM 0 H LEU A 97 -7.243 -8.928 -3.198 1.00 0.67 H new ATOM 0 HA LEU A 97 -5.261 -10.751 -1.956 1.00 0.81 H new ATOM 0 HB2 LEU A 97 -4.776 -8.203 -3.536 1.00 1.09 H new ATOM 0 HB3 LEU A 97 -3.548 -9.129 -2.696 1.00 1.09 H new ATOM 0 HG LEU A 97 -5.239 -10.180 -4.986 1.00 1.70 H new ATOM 0 HD11 LEU A 97 -3.187 -9.995 -6.332 1.00 2.43 H new ATOM 0 HD12 LEU A 97 -3.742 -8.409 -5.744 1.00 2.43 H new ATOM 0 HD13 LEU A 97 -2.364 -9.216 -4.959 1.00 2.43 H new ATOM 0 HD21 LEU A 97 -3.604 -12.029 -5.020 1.00 2.44 H new ATOM 0 HD22 LEU A 97 -2.803 -11.338 -3.589 1.00 2.44 H new ATOM 0 HD23 LEU A 97 -4.473 -11.942 -3.469 1.00 2.44 H new ATOM 1541 N HIS A 98 -4.636 -8.919 -0.197 1.00 0.58 N ATOM 1542 CA HIS A 98 -4.633 -8.206 1.077 1.00 0.51 C ATOM 1543 C HIS A 98 -4.697 -6.696 0.889 1.00 0.54 C ATOM 1544 O HIS A 98 -4.199 -6.144 -0.098 1.00 0.68 O ATOM 1545 CB HIS A 98 -3.387 -8.574 1.884 1.00 0.53 C ATOM 1546 CG HIS A 98 -3.301 -10.032 2.200 1.00 0.54 C ATOM 1547 ND1 HIS A 98 -2.879 -10.937 1.260 1.00 0.71 N ATOM 1548 CD2 HIS A 98 -3.611 -10.688 3.342 1.00 0.56 C ATOM 1549 CE1 HIS A 98 -2.946 -12.119 1.843 1.00 0.74 C ATOM 1550 NE2 HIS A 98 -3.383 -12.020 3.109 1.00 0.65 N ATOM 0 H HIS A 98 -3.782 -9.445 -0.381 1.00 0.58 H new ATOM 0 HA HIS A 98 -5.527 -8.511 1.621 1.00 0.51 H new ATOM 0 HB2 HIS A 98 -2.499 -8.277 1.326 1.00 0.53 H new ATOM 0 HB3 HIS A 98 -3.384 -8.006 2.814 1.00 0.53 H new ATOM 0 HD2 HIS A 98 -3.969 -10.247 4.261 1.00 0.56 H new ATOM 0 HE1 HIS A 98 -2.682 -13.049 1.362 1.00 0.74 H new ATOM 0 HE2 HIS A 98 -3.519 -12.786 3.769 1.00 0.65 H new ATOM 1558 N CYS A 99 -5.301 -6.039 1.860 1.00 0.46 N ATOM 1559 CA CYS A 99 -5.464 -4.601 1.830 1.00 0.52 C ATOM 1560 C CYS A 99 -4.441 -3.929 2.735 1.00 0.45 C ATOM 1561 O CYS A 99 -3.995 -4.502 3.733 1.00 0.53 O ATOM 1562 CB CYS A 99 -6.888 -4.224 2.246 1.00 0.64 C ATOM 1563 SG CYS A 99 -7.575 -5.255 3.559 1.00 0.55 S ATOM 0 H CYS A 99 -5.691 -6.487 2.689 1.00 0.46 H new ATOM 0 HA CYS A 99 -5.297 -4.250 0.812 1.00 0.52 H new ATOM 0 HB2 CYS A 99 -6.895 -3.185 2.575 1.00 0.64 H new ATOM 0 HB3 CYS A 99 -7.538 -4.287 1.373 1.00 0.64 H new ATOM 0 HG CYS A 99 -7.572 -6.499 3.181 1.00 0.55 H new ATOM 1569 N LEU A 100 -4.056 -2.727 2.356 1.00 0.34 N ATOM 1570 CA LEU A 100 -3.123 -1.931 3.125 1.00 0.30 C ATOM 1571 C LEU A 100 -3.799 -1.406 4.378 1.00 0.29 C ATOM 1572 O LEU A 100 -4.944 -0.954 4.324 1.00 0.28 O ATOM 1573 CB LEU A 100 -2.619 -0.770 2.271 1.00 0.31 C ATOM 1574 CG LEU A 100 -1.663 0.199 2.954 1.00 0.33 C ATOM 1575 CD1 LEU A 100 -0.403 -0.531 3.373 1.00 0.40 C ATOM 1576 CD2 LEU A 100 -1.328 1.345 2.018 1.00 0.40 C ATOM 0 H LEU A 100 -4.383 -2.274 1.503 1.00 0.34 H new ATOM 0 HA LEU A 100 -2.276 -2.551 3.420 1.00 0.30 H new ATOM 0 HB2 LEU A 100 -2.121 -1.181 1.393 1.00 0.31 H new ATOM 0 HB3 LEU A 100 -3.481 -0.207 1.914 1.00 0.31 H new ATOM 0 HG LEU A 100 -2.142 0.608 3.844 1.00 0.33 H new ATOM 0 HD11 LEU A 100 0.277 0.167 3.861 1.00 0.40 H new ATOM 0 HD12 LEU A 100 -0.660 -1.332 4.066 1.00 0.40 H new ATOM 0 HD13 LEU A 100 0.082 -0.955 2.493 1.00 0.40 H new ATOM 0 HD21 LEU A 100 -0.644 2.033 2.515 1.00 0.40 H new ATOM 0 HD22 LEU A 100 -0.857 0.953 1.117 1.00 0.40 H new ATOM 0 HD23 LEU A 100 -2.242 1.874 1.749 1.00 0.40 H new ATOM 1588 N ASN A 101 -3.101 -1.478 5.499 1.00 0.30 N ATOM 1589 CA ASN A 101 -3.640 -0.998 6.756 1.00 0.32 C ATOM 1590 C ASN A 101 -2.886 0.252 7.185 1.00 0.30 C ATOM 1591 O ASN A 101 -1.732 0.182 7.624 1.00 0.35 O ATOM 1592 CB ASN A 101 -3.538 -2.082 7.839 1.00 0.38 C ATOM 1593 CG ASN A 101 -4.236 -1.700 9.138 1.00 0.44 C ATOM 1594 OD1 ASN A 101 -4.352 -0.527 9.484 1.00 1.01 O ATOM 1595 ND2 ASN A 101 -4.707 -2.698 9.871 1.00 0.89 N ATOM 0 H ASN A 101 -2.159 -1.865 5.562 1.00 0.30 H new ATOM 0 HA ASN A 101 -4.694 -0.755 6.621 1.00 0.32 H new ATOM 0 HB2 ASN A 101 -3.972 -3.007 7.460 1.00 0.38 H new ATOM 0 HB3 ASN A 101 -2.487 -2.283 8.045 1.00 0.38 H new ATOM 0 HD21 ASN A 101 -5.183 -2.503 10.752 1.00 0.89 H new ATOM 0 HD22 ASN A 101 -4.594 -3.661 9.554 1.00 0.89 H new ATOM 1602 N VAL A 102 -3.530 1.392 7.031 1.00 0.26 N ATOM 1603 CA VAL A 102 -2.925 2.663 7.389 1.00 0.25 C ATOM 1604 C VAL A 102 -3.738 3.364 8.468 1.00 0.32 C ATOM 1605 O VAL A 102 -4.883 3.000 8.732 1.00 0.36 O ATOM 1606 CB VAL A 102 -2.783 3.597 6.172 1.00 0.21 C ATOM 1607 CG1 VAL A 102 -1.800 3.030 5.168 1.00 0.21 C ATOM 1608 CG2 VAL A 102 -4.127 3.829 5.516 1.00 0.22 C ATOM 0 H VAL A 102 -4.477 1.466 6.659 1.00 0.26 H new ATOM 0 HA VAL A 102 -1.928 2.440 7.769 1.00 0.25 H new ATOM 0 HB VAL A 102 -2.400 4.554 6.526 1.00 0.21 H new ATOM 0 HG11 VAL A 102 -1.717 3.707 4.318 1.00 0.21 H new ATOM 0 HG12 VAL A 102 -0.823 2.917 5.639 1.00 0.21 H new ATOM 0 HG13 VAL A 102 -2.152 2.057 4.824 1.00 0.21 H new ATOM 0 HG21 VAL A 102 -4.004 4.491 4.659 1.00 0.22 H new ATOM 0 HG22 VAL A 102 -4.538 2.876 5.182 1.00 0.22 H new ATOM 0 HG23 VAL A 102 -4.808 4.287 6.234 1.00 0.22 H new ATOM 1618 N GLY A 103 -3.142 4.357 9.100 1.00 0.38 N ATOM 1619 CA GLY A 103 -3.854 5.120 10.100 1.00 0.50 C ATOM 1620 C GLY A 103 -3.472 4.734 11.510 1.00 0.65 C ATOM 1621 O GLY A 103 -2.385 5.070 11.981 1.00 0.90 O ATOM 0 H GLY A 103 -2.178 4.650 8.940 1.00 0.38 H new ATOM 0 HA2 GLY A 103 -3.654 6.181 9.952 1.00 0.50 H new ATOM 0 HA3 GLY A 103 -4.926 4.976 9.966 1.00 0.50 H new ATOM 1625 N SER A 104 -4.355 4.015 12.186 1.00 0.67 N ATOM 1626 CA SER A 104 -4.139 3.681 13.581 1.00 0.79 C ATOM 1627 C SER A 104 -4.709 2.308 13.917 1.00 0.79 C ATOM 1628 O SER A 104 -5.349 1.671 13.078 1.00 0.74 O ATOM 1629 CB SER A 104 -4.784 4.745 14.470 1.00 0.99 C ATOM 1630 OG SER A 104 -6.165 4.879 14.173 1.00 1.69 O ATOM 0 H SER A 104 -5.224 3.654 11.791 1.00 0.67 H new ATOM 0 HA SER A 104 -3.065 3.652 13.763 1.00 0.79 H new ATOM 0 HB2 SER A 104 -4.657 4.475 15.518 1.00 0.99 H new ATOM 0 HB3 SER A 104 -4.281 5.701 14.324 1.00 0.99 H new ATOM 0 HG SER A 104 -6.381 4.350 13.377 1.00 1.69 H new ATOM 1636 N SER A 105 -4.470 1.851 15.139 1.00 0.95 N ATOM 1637 CA SER A 105 -5.044 0.598 15.599 1.00 1.05 C ATOM 1638 C SER A 105 -6.520 0.792 15.939 1.00 1.13 C ATOM 1639 O SER A 105 -7.340 -0.106 15.736 1.00 1.21 O ATOM 1640 CB SER A 105 -4.276 0.072 16.815 1.00 1.24 C ATOM 1641 OG SER A 105 -4.700 -1.236 17.166 1.00 1.56 O ATOM 0 H SER A 105 -3.885 2.328 15.825 1.00 0.95 H new ATOM 0 HA SER A 105 -4.964 -0.139 14.800 1.00 1.05 H new ATOM 0 HB2 SER A 105 -3.208 0.064 16.598 1.00 1.24 H new ATOM 0 HB3 SER A 105 -4.425 0.744 17.660 1.00 1.24 H new ATOM 0 HG SER A 105 -4.192 -1.547 17.944 1.00 1.56 H new ATOM 1647 N ILE A 106 -6.853 1.976 16.445 1.00 1.17 N ATOM 1648 CA ILE A 106 -8.224 2.281 16.843 1.00 1.29 C ATOM 1649 C ILE A 106 -9.123 2.444 15.623 1.00 1.21 C ATOM 1650 O ILE A 106 -10.295 2.062 15.644 1.00 1.34 O ATOM 1651 CB ILE A 106 -8.301 3.550 17.723 1.00 1.42 C ATOM 1652 CG1 ILE A 106 -7.687 4.755 17.001 1.00 1.33 C ATOM 1653 CG2 ILE A 106 -7.604 3.305 19.050 1.00 1.54 C ATOM 1654 CD1 ILE A 106 -7.859 6.064 17.741 1.00 1.65 C ATOM 0 H ILE A 106 -6.193 2.740 16.589 1.00 1.17 H new ATOM 0 HA ILE A 106 -8.576 1.436 17.435 1.00 1.29 H new ATOM 0 HB ILE A 106 -9.350 3.776 17.915 1.00 1.42 H new ATOM 0 HG12 ILE A 106 -6.623 4.572 16.848 1.00 1.33 H new ATOM 0 HG13 ILE A 106 -8.140 4.844 16.014 1.00 1.33 H new ATOM 0 HG21 ILE A 106 -7.663 4.204 19.663 1.00 1.54 H new ATOM 0 HG22 ILE A 106 -8.090 2.479 19.569 1.00 1.54 H new ATOM 0 HG23 ILE A 106 -6.558 3.056 18.871 1.00 1.54 H new ATOM 0 HD11 ILE A 106 -7.399 6.869 17.168 1.00 1.65 H new ATOM 0 HD12 ILE A 106 -8.921 6.272 17.871 1.00 1.65 H new ATOM 0 HD13 ILE A 106 -7.381 5.995 18.718 1.00 1.65 H new ATOM 1666 N LYS A 107 -8.567 3.013 14.564 1.00 1.03 N ATOM 1667 CA LYS A 107 -9.255 3.089 13.291 1.00 0.98 C ATOM 1668 C LYS A 107 -8.269 2.744 12.188 1.00 0.82 C ATOM 1669 O LYS A 107 -7.384 3.537 11.855 1.00 0.77 O ATOM 1670 CB LYS A 107 -9.851 4.491 13.076 1.00 1.09 C ATOM 1671 CG LYS A 107 -10.911 4.569 11.978 1.00 1.56 C ATOM 1672 CD LYS A 107 -10.309 4.492 10.581 1.00 1.87 C ATOM 1673 CE LYS A 107 -11.382 4.326 9.514 1.00 1.81 C ATOM 1674 NZ LYS A 107 -12.280 5.508 9.418 1.00 2.29 N ATOM 0 H LYS A 107 -7.636 3.430 14.565 1.00 1.03 H new ATOM 0 HA LYS A 107 -10.082 2.379 13.277 1.00 0.98 H new ATOM 0 HB2 LYS A 107 -10.291 4.832 14.013 1.00 1.09 H new ATOM 0 HB3 LYS A 107 -9.043 5.182 12.833 1.00 1.09 H new ATOM 0 HG2 LYS A 107 -11.625 3.756 12.108 1.00 1.56 H new ATOM 0 HG3 LYS A 107 -11.467 5.501 12.080 1.00 1.56 H new ATOM 0 HD2 LYS A 107 -9.735 5.397 10.382 1.00 1.87 H new ATOM 0 HD3 LYS A 107 -9.613 3.655 10.530 1.00 1.87 H new ATOM 0 HE2 LYS A 107 -10.906 4.157 8.548 1.00 1.81 H new ATOM 0 HE3 LYS A 107 -11.976 3.440 9.736 1.00 1.81 H new ATOM 0 HZ1 LYS A 107 -12.992 5.344 8.678 1.00 2.29 H new ATOM 0 HZ2 LYS A 107 -12.757 5.657 10.330 1.00 2.29 H new ATOM 0 HZ3 LYS A 107 -11.720 6.351 9.179 1.00 2.29 H new ATOM 1688 N SER A 108 -8.420 1.557 11.636 1.00 0.80 N ATOM 1689 CA SER A 108 -7.548 1.093 10.578 1.00 0.69 C ATOM 1690 C SER A 108 -8.175 1.355 9.220 1.00 0.60 C ATOM 1691 O SER A 108 -9.252 0.840 8.908 1.00 0.74 O ATOM 1692 CB SER A 108 -7.261 -0.397 10.756 1.00 0.78 C ATOM 1693 OG SER A 108 -6.709 -0.650 12.038 1.00 1.43 O ATOM 0 H SER A 108 -9.145 0.892 11.906 1.00 0.80 H new ATOM 0 HA SER A 108 -6.607 1.641 10.631 1.00 0.69 H new ATOM 0 HB2 SER A 108 -8.181 -0.967 10.632 1.00 0.78 H new ATOM 0 HB3 SER A 108 -6.570 -0.734 9.984 1.00 0.78 H new ATOM 0 HG SER A 108 -6.240 0.150 12.356 1.00 1.43 H new ATOM 1699 N ILE A 109 -7.514 2.180 8.432 1.00 0.44 N ATOM 1700 CA ILE A 109 -7.951 2.456 7.079 1.00 0.39 C ATOM 1701 C ILE A 109 -7.461 1.339 6.182 1.00 0.35 C ATOM 1702 O ILE A 109 -6.253 1.170 6.006 1.00 0.34 O ATOM 1703 CB ILE A 109 -7.381 3.784 6.551 1.00 0.37 C ATOM 1704 CG1 ILE A 109 -7.291 4.826 7.661 1.00 0.41 C ATOM 1705 CG2 ILE A 109 -8.239 4.311 5.410 1.00 0.40 C ATOM 1706 CD1 ILE A 109 -6.331 5.942 7.329 1.00 0.42 C ATOM 0 H ILE A 109 -6.666 2.674 8.709 1.00 0.44 H new ATOM 0 HA ILE A 109 -9.039 2.527 7.081 1.00 0.39 H new ATOM 0 HB ILE A 109 -6.374 3.592 6.181 1.00 0.37 H new ATOM 0 HG12 ILE A 109 -8.281 5.245 7.843 1.00 0.41 H new ATOM 0 HG13 ILE A 109 -6.975 4.342 8.585 1.00 0.41 H new ATOM 0 HG21 ILE A 109 -7.824 5.251 5.047 1.00 0.40 H new ATOM 0 HG22 ILE A 109 -8.253 3.583 4.599 1.00 0.40 H new ATOM 0 HG23 ILE A 109 -9.256 4.477 5.766 1.00 0.40 H new ATOM 0 HD11 ILE A 109 -6.305 6.656 8.152 1.00 0.42 H new ATOM 0 HD12 ILE A 109 -5.334 5.530 7.174 1.00 0.42 H new ATOM 0 HD13 ILE A 109 -6.660 6.447 6.421 1.00 0.42 H new ATOM 1718 N LEU A 110 -8.375 0.566 5.635 1.00 0.36 N ATOM 1719 CA LEU A 110 -7.991 -0.573 4.826 1.00 0.31 C ATOM 1720 C LEU A 110 -8.224 -0.292 3.349 1.00 0.31 C ATOM 1721 O LEU A 110 -9.356 -0.088 2.911 1.00 0.37 O ATOM 1722 CB LEU A 110 -8.755 -1.820 5.265 1.00 0.34 C ATOM 1723 CG LEU A 110 -8.519 -2.239 6.716 1.00 0.43 C ATOM 1724 CD1 LEU A 110 -9.389 -3.429 7.079 1.00 0.65 C ATOM 1725 CD2 LEU A 110 -7.053 -2.564 6.939 1.00 0.83 C ATOM 0 H LEU A 110 -9.381 0.703 5.734 1.00 0.36 H new ATOM 0 HA LEU A 110 -6.926 -0.752 4.971 1.00 0.31 H new ATOM 0 HB2 LEU A 110 -9.821 -1.645 5.121 1.00 0.34 H new ATOM 0 HB3 LEU A 110 -8.477 -2.648 4.613 1.00 0.34 H new ATOM 0 HG LEU A 110 -8.793 -1.406 7.364 1.00 0.43 H new ATOM 0 HD11 LEU A 110 -9.206 -3.711 8.116 1.00 0.65 H new ATOM 0 HD12 LEU A 110 -10.439 -3.163 6.956 1.00 0.65 H new ATOM 0 HD13 LEU A 110 -9.148 -4.268 6.427 1.00 0.65 H new ATOM 0 HD21 LEU A 110 -6.900 -2.861 7.977 1.00 0.83 H new ATOM 0 HD22 LEU A 110 -6.757 -3.381 6.281 1.00 0.83 H new ATOM 0 HD23 LEU A 110 -6.448 -1.684 6.720 1.00 0.83 H new ATOM 1737 N LEU A 111 -7.139 -0.284 2.594 1.00 0.28 N ATOM 1738 CA LEU A 111 -7.188 0.034 1.168 1.00 0.30 C ATOM 1739 C LEU A 111 -6.195 -0.818 0.390 1.00 0.30 C ATOM 1740 O LEU A 111 -5.014 -0.811 0.689 1.00 0.61 O ATOM 1741 CB LEU A 111 -6.866 1.518 0.940 1.00 0.52 C ATOM 1742 CG LEU A 111 -5.717 2.067 1.793 1.00 0.40 C ATOM 1743 CD1 LEU A 111 -4.901 3.100 1.037 1.00 0.48 C ATOM 1744 CD2 LEU A 111 -6.260 2.686 3.064 1.00 0.62 C ATOM 0 H LEU A 111 -6.204 -0.495 2.944 1.00 0.28 H new ATOM 0 HA LEU A 111 -8.196 -0.179 0.812 1.00 0.30 H new ATOM 0 HB2 LEU A 111 -6.620 1.664 -0.112 1.00 0.52 H new ATOM 0 HB3 LEU A 111 -7.762 2.105 1.143 1.00 0.52 H new ATOM 0 HG LEU A 111 -5.064 1.230 2.039 1.00 0.40 H new ATOM 0 HD11 LEU A 111 -4.096 3.466 1.675 1.00 0.48 H new ATOM 0 HD12 LEU A 111 -4.477 2.645 0.142 1.00 0.48 H new ATOM 0 HD13 LEU A 111 -5.544 3.933 0.750 1.00 0.48 H new ATOM 0 HD21 LEU A 111 -5.435 3.073 3.662 1.00 0.62 H new ATOM 0 HD22 LEU A 111 -6.938 3.501 2.811 1.00 0.62 H new ATOM 0 HD23 LEU A 111 -6.799 1.930 3.635 1.00 0.62 H new ATOM 1756 N PRO A 112 -6.663 -1.572 -0.615 1.00 0.34 N ATOM 1757 CA PRO A 112 -5.783 -2.366 -1.481 1.00 0.33 C ATOM 1758 C PRO A 112 -4.641 -1.516 -2.030 1.00 0.32 C ATOM 1759 O PRO A 112 -4.853 -0.377 -2.457 1.00 0.33 O ATOM 1760 CB PRO A 112 -6.700 -2.813 -2.621 1.00 0.35 C ATOM 1761 CG PRO A 112 -8.089 -2.723 -2.081 1.00 0.81 C ATOM 1762 CD PRO A 112 -8.076 -1.688 -0.992 1.00 0.64 C ATOM 0 HA PRO A 112 -5.319 -3.197 -0.950 1.00 0.33 H new ATOM 0 HB2 PRO A 112 -6.578 -2.174 -3.495 1.00 0.35 H new ATOM 0 HB3 PRO A 112 -6.467 -3.831 -2.935 1.00 0.35 H new ATOM 0 HG2 PRO A 112 -8.790 -2.445 -2.868 1.00 0.81 H new ATOM 0 HG3 PRO A 112 -8.413 -3.688 -1.691 1.00 0.81 H new ATOM 0 HD2 PRO A 112 -8.473 -0.736 -1.344 1.00 0.64 H new ATOM 0 HD3 PRO A 112 -8.689 -1.995 -0.145 1.00 0.64 H new ATOM 1770 N ILE A 113 -3.435 -2.081 -2.024 1.00 0.33 N ATOM 1771 CA ILE A 113 -2.232 -1.352 -2.433 1.00 0.29 C ATOM 1772 C ILE A 113 -2.313 -0.930 -3.912 1.00 0.30 C ATOM 1773 O ILE A 113 -1.498 -0.146 -4.397 1.00 0.28 O ATOM 1774 CB ILE A 113 -0.955 -2.195 -2.169 1.00 0.30 C ATOM 1775 CG1 ILE A 113 0.308 -1.356 -2.364 1.00 0.26 C ATOM 1776 CG2 ILE A 113 -0.922 -3.430 -3.057 1.00 0.33 C ATOM 1777 CD1 ILE A 113 0.554 -0.373 -1.241 1.00 0.25 C ATOM 0 H ILE A 113 -3.263 -3.045 -1.739 1.00 0.33 H new ATOM 0 HA ILE A 113 -2.171 -0.446 -1.829 1.00 0.29 H new ATOM 0 HB ILE A 113 -0.985 -2.525 -1.131 1.00 0.30 H new ATOM 0 HG12 ILE A 113 1.167 -2.021 -2.450 1.00 0.26 H new ATOM 0 HG13 ILE A 113 0.232 -0.810 -3.305 1.00 0.26 H new ATOM 0 HG21 ILE A 113 -0.017 -4.002 -2.851 1.00 0.33 H new ATOM 0 HG22 ILE A 113 -1.796 -4.048 -2.853 1.00 0.33 H new ATOM 0 HG23 ILE A 113 -0.929 -3.126 -4.104 1.00 0.33 H new ATOM 0 HD11 ILE A 113 1.466 0.189 -1.443 1.00 0.25 H new ATOM 0 HD12 ILE A 113 -0.288 0.315 -1.169 1.00 0.25 H new ATOM 0 HD13 ILE A 113 0.662 -0.914 -0.301 1.00 0.25 H new ATOM 1789 N GLU A 114 -3.324 -1.451 -4.608 1.00 0.36 N ATOM 1790 CA GLU A 114 -3.594 -1.093 -5.996 1.00 0.42 C ATOM 1791 C GLU A 114 -3.800 0.416 -6.154 1.00 0.33 C ATOM 1792 O GLU A 114 -3.405 1.005 -7.165 1.00 0.41 O ATOM 1793 CB GLU A 114 -4.823 -1.874 -6.495 1.00 0.57 C ATOM 1794 CG GLU A 114 -5.619 -1.172 -7.591 1.00 0.72 C ATOM 1795 CD GLU A 114 -6.481 -2.105 -8.403 1.00 1.47 C ATOM 1796 OE1 GLU A 114 -7.062 -3.041 -7.821 1.00 1.87 O ATOM 1797 OE2 GLU A 114 -6.595 -1.886 -9.629 1.00 1.90 O ATOM 0 H GLU A 114 -3.977 -2.133 -4.223 1.00 0.36 H new ATOM 0 HA GLU A 114 -2.729 -1.362 -6.602 1.00 0.42 H new ATOM 0 HB2 GLU A 114 -4.494 -2.844 -6.868 1.00 0.57 H new ATOM 0 HB3 GLU A 114 -5.484 -2.065 -5.649 1.00 0.57 H new ATOM 0 HG2 GLU A 114 -6.252 -0.409 -7.137 1.00 0.72 H new ATOM 0 HG3 GLU A 114 -4.927 -0.657 -8.258 1.00 0.72 H new ATOM 1804 N LEU A 115 -4.373 1.043 -5.136 1.00 0.24 N ATOM 1805 CA LEU A 115 -4.716 2.458 -5.216 1.00 0.24 C ATOM 1806 C LEU A 115 -3.678 3.316 -4.505 1.00 0.21 C ATOM 1807 O LEU A 115 -3.908 4.497 -4.241 1.00 0.29 O ATOM 1808 CB LEU A 115 -6.100 2.720 -4.609 1.00 0.30 C ATOM 1809 CG LEU A 115 -7.262 1.953 -5.246 1.00 0.39 C ATOM 1810 CD1 LEU A 115 -7.390 0.561 -4.649 1.00 0.93 C ATOM 1811 CD2 LEU A 115 -8.556 2.727 -5.077 1.00 1.03 C ATOM 0 H LEU A 115 -4.610 0.598 -4.249 1.00 0.24 H new ATOM 0 HA LEU A 115 -4.733 2.730 -6.271 1.00 0.24 H new ATOM 0 HB2 LEU A 115 -6.064 2.472 -3.548 1.00 0.30 H new ATOM 0 HB3 LEU A 115 -6.311 3.787 -4.680 1.00 0.30 H new ATOM 0 HG LEU A 115 -7.056 1.843 -6.311 1.00 0.39 H new ATOM 0 HD11 LEU A 115 -8.223 0.039 -5.119 1.00 0.93 H new ATOM 0 HD12 LEU A 115 -6.469 0.005 -4.822 1.00 0.93 H new ATOM 0 HD13 LEU A 115 -7.570 0.640 -3.577 1.00 0.93 H new ATOM 0 HD21 LEU A 115 -9.375 2.171 -5.534 1.00 1.03 H new ATOM 0 HD22 LEU A 115 -8.760 2.867 -4.015 1.00 1.03 H new ATOM 0 HD23 LEU A 115 -8.464 3.700 -5.560 1.00 1.03 H new ATOM 1823 N CYS A 116 -2.537 2.727 -4.198 1.00 0.24 N ATOM 1824 CA CYS A 116 -1.492 3.441 -3.489 1.00 0.23 C ATOM 1825 C CYS A 116 -0.326 3.730 -4.412 1.00 0.22 C ATOM 1826 O CYS A 116 0.011 2.934 -5.290 1.00 0.25 O ATOM 1827 CB CYS A 116 -1.017 2.642 -2.275 1.00 0.25 C ATOM 1828 SG CYS A 116 -2.363 1.955 -1.280 1.00 0.37 S ATOM 0 H CYS A 116 -2.311 1.759 -4.428 1.00 0.24 H new ATOM 0 HA CYS A 116 -1.905 4.387 -3.140 1.00 0.23 H new ATOM 0 HB2 CYS A 116 -0.377 1.828 -2.615 1.00 0.25 H new ATOM 0 HB3 CYS A 116 -0.404 3.287 -1.645 1.00 0.25 H new ATOM 0 HG CYS A 116 -3.302 1.515 -2.064 1.00 0.37 H new ATOM 1834 N SER A 117 0.268 4.884 -4.222 1.00 0.24 N ATOM 1835 CA SER A 117 1.463 5.248 -4.938 1.00 0.24 C ATOM 1836 C SER A 117 2.546 5.624 -3.947 1.00 0.24 C ATOM 1837 O SER A 117 2.271 6.220 -2.912 1.00 0.25 O ATOM 1838 CB SER A 117 1.182 6.398 -5.904 1.00 0.29 C ATOM 1839 OG SER A 117 0.479 7.454 -5.264 1.00 0.63 O ATOM 0 H SER A 117 -0.064 5.594 -3.569 1.00 0.24 H new ATOM 0 HA SER A 117 1.803 4.397 -5.528 1.00 0.24 H new ATOM 0 HB2 SER A 117 2.122 6.776 -6.305 1.00 0.29 H new ATOM 0 HB3 SER A 117 0.599 6.031 -6.749 1.00 0.29 H new ATOM 0 HG SER A 117 -0.022 7.098 -4.501 1.00 0.63 H new ATOM 1845 N ILE A 118 3.763 5.254 -4.253 1.00 0.26 N ATOM 1846 CA ILE A 118 4.868 5.522 -3.371 1.00 0.28 C ATOM 1847 C ILE A 118 5.578 6.799 -3.822 1.00 0.34 C ATOM 1848 O ILE A 118 5.838 6.998 -5.013 1.00 0.36 O ATOM 1849 CB ILE A 118 5.833 4.307 -3.328 1.00 0.29 C ATOM 1850 CG1 ILE A 118 6.784 4.416 -2.139 1.00 0.29 C ATOM 1851 CG2 ILE A 118 6.613 4.170 -4.628 1.00 0.39 C ATOM 1852 CD1 ILE A 118 7.622 3.176 -1.905 1.00 0.31 C ATOM 0 H ILE A 118 4.014 4.764 -5.111 1.00 0.26 H new ATOM 0 HA ILE A 118 4.501 5.676 -2.356 1.00 0.28 H new ATOM 0 HB ILE A 118 5.229 3.408 -3.207 1.00 0.29 H new ATOM 0 HG12 ILE A 118 7.448 5.267 -2.294 1.00 0.29 H new ATOM 0 HG13 ILE A 118 6.203 4.625 -1.240 1.00 0.29 H new ATOM 0 HG21 ILE A 118 7.279 3.310 -4.564 1.00 0.39 H new ATOM 0 HG22 ILE A 118 5.918 4.030 -5.456 1.00 0.39 H new ATOM 0 HG23 ILE A 118 7.201 5.072 -4.796 1.00 0.39 H new ATOM 0 HD11 ILE A 118 8.271 3.333 -1.043 1.00 0.31 H new ATOM 0 HD12 ILE A 118 6.968 2.325 -1.716 1.00 0.31 H new ATOM 0 HD13 ILE A 118 8.231 2.977 -2.787 1.00 0.31 H new ATOM 1864 N GLU A 119 5.828 7.688 -2.872 1.00 0.41 N ATOM 1865 CA GLU A 119 6.414 8.985 -3.173 1.00 0.50 C ATOM 1866 C GLU A 119 7.897 8.809 -3.474 1.00 0.55 C ATOM 1867 O GLU A 119 8.674 8.399 -2.607 1.00 0.56 O ATOM 1868 CB GLU A 119 6.182 9.931 -1.990 1.00 0.60 C ATOM 1869 CG GLU A 119 6.060 11.400 -2.373 1.00 1.23 C ATOM 1870 CD GLU A 119 7.385 12.130 -2.354 1.00 1.69 C ATOM 1871 OE1 GLU A 119 8.196 11.918 -3.272 1.00 2.46 O ATOM 1872 OE2 GLU A 119 7.616 12.923 -1.418 1.00 2.02 O ATOM 0 H GLU A 119 5.633 7.534 -1.883 1.00 0.41 H new ATOM 0 HA GLU A 119 5.942 9.424 -4.052 1.00 0.50 H new ATOM 0 HB2 GLU A 119 5.273 9.627 -1.470 1.00 0.60 H new ATOM 0 HB3 GLU A 119 7.005 9.819 -1.284 1.00 0.60 H new ATOM 0 HG2 GLU A 119 5.625 11.475 -3.370 1.00 1.23 H new ATOM 0 HG3 GLU A 119 5.371 11.892 -1.687 1.00 1.23 H new ATOM 1879 N GLU A 120 8.279 9.115 -4.711 1.00 0.68 N ATOM 1880 CA GLU A 120 9.612 8.799 -5.221 1.00 0.84 C ATOM 1881 C GLU A 120 10.719 9.496 -4.437 1.00 0.98 C ATOM 1882 O GLU A 120 11.854 9.023 -4.412 1.00 1.08 O ATOM 1883 CB GLU A 120 9.700 9.133 -6.715 1.00 1.10 C ATOM 1884 CG GLU A 120 9.404 10.586 -7.060 1.00 1.26 C ATOM 1885 CD GLU A 120 10.647 11.447 -7.112 1.00 2.16 C ATOM 1886 OE1 GLU A 120 11.492 11.216 -8.000 1.00 2.36 O ATOM 1887 OE2 GLU A 120 10.770 12.380 -6.295 1.00 2.92 O ATOM 0 H GLU A 120 7.677 9.587 -5.386 1.00 0.68 H new ATOM 0 HA GLU A 120 9.767 7.728 -5.087 1.00 0.84 H new ATOM 0 HB2 GLU A 120 10.700 8.886 -7.070 1.00 1.10 H new ATOM 0 HB3 GLU A 120 9.002 8.495 -7.258 1.00 1.10 H new ATOM 0 HG2 GLU A 120 8.899 10.629 -8.025 1.00 1.26 H new ATOM 0 HG3 GLU A 120 8.716 10.996 -6.321 1.00 1.26 H new